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 4aah_1_A DATA FIRST_RESID 1 DATA SEQUENCE DADLDKQVNT AGAWPIATGG YYSQHNSPLA QINKSNVKNV KAAWSFSTGV DATA SEQUENCE LNGHEGAPLV IGDMMYVHSA FPNNTYALNL NDPGKIVWQH KPKQDASTKA DATA SEQUENCE VMCCDVVDRG LAYGAGQIVK KQANGHLLAL DAKTGKINWE VEVcDPKVGS DATA SEQUENCE TLTQAPFVAK DTVLMGcSGA ELGVRGAVNA FDLKTGELKW RAFATGSDDS DATA SEQUENCE VRLAKDFNSA NPHYGQFGLG TKTWEGDAWK IGGGTNWGWY AYDPKLNLFY DATA SEQUENCE YGSGNPAPWN ETMRPGDNKW TMTIWGRDLD TGMAKWGYQK TPHDEWDFAG DATA SEQUENCE VNQMVLTDQP VNGKMTPLLS HIDRNGILYT LNRENGNLIV AEKVDPAVNV DATA SEQUENCE FKKVDLKTGT PVRDPEFATR MDHKGTNIcP SAMGFHNQGV DSYDPESRTL DATA SEQUENCE YAGLNHIcMD WEPFMLPYRA GQFFVGATLA MYPGPNGPTK KEMGQIRAFD DATA SEQUENCE LTTGKAKWTK WEKFAAWGGT LYTKGGLVWY ATLDGYLKAL DNKDGKELWN DATA SEQUENCE FKMPSGGIGS PMTYSFKGKQ YIGSMYGVGG WPGVGLVFDL TDPSAGLGAV DATA SEQUENCE GAFRELQNHT QMGGGLMVFS L 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.347 176.300 0.078 0.000 2.045 1 D CA 0.000 54.022 54.000 0.037 0.000 0.868 1 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 2 A N 0.102 122.956 122.820 0.057 0.000 1.933 2 A HA -0.145 3.832 4.320 -0.572 0.000 0.218 2 A C 1.709 179.339 177.584 0.077 0.000 1.175 2 A CA 2.645 54.722 52.037 0.068 0.000 0.628 2 A CB -0.932 18.098 19.000 0.049 0.000 0.814 2 A HN 0.634 nan 8.150 nan 0.000 0.444 3 D N -0.518 119.921 120.400 0.065 0.000 2.097 3 D HA -0.152 4.145 4.640 -0.572 0.000 0.195 3 D C 1.790 178.190 176.300 0.168 0.000 0.989 3 D CA 1.441 55.503 54.000 0.103 0.000 0.827 3 D CB -0.201 40.635 40.800 0.059 0.000 0.966 3 D HN 0.273 nan 8.370 nan 0.000 0.456 4 L N 0.378 121.686 121.223 0.143 0.000 2.093 4 L HA -0.083 3.914 4.340 -0.572 0.000 0.208 4 L C 1.456 178.388 176.870 0.103 0.000 1.085 4 L CA 1.763 56.700 54.840 0.162 0.000 0.755 4 L CB -0.559 41.560 42.059 0.100 0.000 0.904 4 L HN -0.043 nan 8.230 nan 0.000 0.435 5 D N -0.103 120.379 120.400 0.137 0.000 2.144 5 D HA -0.237 4.060 4.640 -0.572 0.000 0.199 5 D C 2.052 178.404 176.300 0.087 0.000 0.984 5 D CA 1.347 55.435 54.000 0.146 0.000 0.834 5 D CB 0.020 40.921 40.800 0.168 0.000 0.955 5 D HN 0.436 nan 8.370 nan 0.000 0.465 6 K N 0.379 120.829 120.400 0.084 0.000 2.002 6 K HA -0.173 3.804 4.320 -0.572 0.000 0.209 6 K C 2.087 178.713 176.600 0.042 0.000 1.048 6 K CA 1.116 57.442 56.287 0.065 0.000 0.930 6 K CB 0.184 32.728 32.500 0.075 0.000 0.714 6 K HN -0.068 nan 8.250 nan 0.000 0.438 7 Q N 0.336 120.158 119.800 0.036 0.000 2.096 7 Q HA -0.138 3.859 4.340 -0.572 0.000 0.204 7 Q C 2.243 178.218 176.000 -0.043 0.000 0.982 7 Q CA 1.305 57.094 55.803 -0.024 0.000 0.850 7 Q CB -0.544 28.137 28.738 -0.095 0.000 0.901 7 Q HN 0.208 nan 8.270 nan 0.000 0.422 8 V N 2.131 122.008 119.914 -0.061 0.000 2.490 8 V HA -0.192 3.585 4.120 -0.572 0.000 0.250 8 V C 1.619 177.688 176.094 -0.041 0.000 1.061 8 V CA 1.522 63.758 62.300 -0.107 0.000 1.064 8 V CB -0.429 31.292 31.823 -0.170 0.000 0.670 8 V HN 0.360 nan 8.190 nan 0.000 0.461 9 N N -0.446 118.255 118.700 0.001 0.000 2.398 9 N HA 0.003 4.400 4.740 -0.572 0.000 0.188 9 N C 0.569 176.095 175.510 0.025 0.000 1.122 9 N CA 0.279 53.342 53.050 0.020 0.000 0.866 9 N CB 0.216 38.725 38.487 0.037 0.000 0.970 9 N HN 0.440 nan 8.380 nan 0.000 0.462 10 T N 0.749 115.317 114.554 0.023 0.000 2.806 10 T HA 0.477 4.483 4.350 -0.572 0.000 0.290 10 T C 0.276 175.005 174.700 0.049 0.000 0.966 10 T CA -0.697 61.425 62.100 0.036 0.000 1.060 10 T CB 1.948 70.838 68.868 0.036 0.000 0.927 10 T HN 0.090 nan 8.240 nan 0.000 0.485 11 A N 2.086 124.940 122.820 0.057 0.000 2.450 11 A HA 0.558 4.535 4.320 -0.572 0.000 0.255 11 A C 1.564 179.208 177.584 0.100 0.000 1.096 11 A CA 0.224 52.303 52.037 0.070 0.000 0.778 11 A CB -0.804 18.230 19.000 0.056 0.000 1.031 11 A HN 1.598 nan 8.150 nan 0.000 0.494 12 G N 0.725 109.602 108.800 0.130 0.000 2.205 12 G HA2 0.111 3.728 3.960 -0.572 0.000 0.261 12 G HA3 0.111 3.728 3.960 -0.572 0.000 0.261 12 G C 0.636 175.685 174.900 0.249 0.000 0.980 12 G CA 0.579 45.792 45.100 0.190 0.000 0.632 12 G HN 2.093 nan 8.290 nan 0.000 0.533 13 A N -0.437 122.495 122.820 0.187 0.000 2.272 13 A HA 0.662 4.638 4.320 -0.572 0.000 0.275 13 A C 0.118 177.859 177.584 0.261 0.000 1.096 13 A CA 0.291 52.428 52.037 0.166 0.000 0.822 13 A CB 0.563 19.597 19.000 0.056 0.000 1.088 13 A HN 1.355 nan 8.150 nan 0.000 0.495 14 W N 2.559 123.852 121.300 -0.013 0.000 1.752 14 W HA 0.311 4.627 4.660 -0.573 0.000 0.308 14 W C -2.869 173.623 176.519 -0.044 0.000 0.978 14 W CA -1.263 56.077 57.345 -0.009 0.000 1.401 14 W CB 1.843 31.323 29.460 0.034 0.000 1.522 14 W HN 0.607 nan 8.180 nan 0.000 0.359 15 P HA 0.171 nan 4.420 nan 0.000 0.255 15 P C 0.189 177.385 177.300 -0.174 0.000 1.248 15 P CA 0.685 63.691 63.100 -0.158 0.000 0.807 15 P CB 1.226 32.809 31.700 -0.196 0.000 1.150 16 I N -0.668 119.682 120.570 -0.367 0.000 2.499 16 I HA 0.352 4.179 4.170 -0.572 0.000 0.288 16 I C 1.455 177.416 176.117 -0.261 0.000 1.048 16 I CA -1.029 60.092 61.300 -0.298 0.000 1.062 16 I CB 2.105 39.888 38.000 -0.362 0.000 1.238 16 I HN -0.275 nan 8.210 nan 0.000 0.426 17 A N 3.931 126.805 122.820 0.090 0.000 1.896 17 A HA -0.238 3.738 4.320 -0.572 0.000 0.220 17 A C 2.011 179.785 177.584 0.317 0.000 1.206 17 A CA 2.864 55.100 52.037 0.331 0.000 0.647 17 A CB -1.050 18.239 19.000 0.482 0.000 0.828 17 A HN 0.817 nan 8.150 nan 0.000 0.455 18 T N -4.301 110.385 114.554 0.220 0.000 3.148 18 T HA 0.421 4.428 4.350 -0.572 0.000 0.253 18 T C 1.378 176.149 174.700 0.119 0.000 1.134 18 T CA 1.012 63.257 62.100 0.241 0.000 1.051 18 T CB 0.219 69.249 68.868 0.270 0.000 0.959 18 T HN 1.829 nan 8.240 nan 0.000 0.525 19 G N -0.178 108.401 108.800 -0.369 0.000 2.254 19 G HA2 0.243 3.859 3.960 -0.572 0.000 0.225 19 G HA3 0.243 3.859 3.960 -0.572 0.000 0.225 19 G C 0.476 175.106 174.900 -0.450 0.000 1.003 19 G CA -0.395 44.266 45.100 -0.732 0.000 0.622 19 G HN 1.625 nan 8.290 nan 0.000 0.507 20 G N -2.281 106.381 108.800 -0.230 0.000 2.336 20 G HA2 0.486 4.103 3.960 -0.572 0.000 0.300 20 G HA3 0.486 4.103 3.960 -0.572 0.000 0.300 20 G C 0.099 175.059 174.900 0.101 0.000 1.375 20 G CA 0.335 45.333 45.100 -0.171 0.000 0.885 20 G HN 0.448 nan 8.290 nan 0.000 0.599 21 Y N -0.244 120.182 120.300 0.210 0.000 2.151 21 Y HA -0.120 4.086 4.550 -0.572 0.000 0.284 21 Y C 2.711 179.001 175.900 0.650 0.000 1.166 21 Y CA 2.198 60.576 58.100 0.464 0.000 1.163 21 Y CB -0.295 38.404 38.460 0.397 0.000 0.974 21 Y HN 0.539 nan 8.280 nan 0.000 0.511 22 Y N -0.367 120.183 120.300 0.417 0.000 2.516 22 Y HA 0.028 4.235 4.550 -0.573 0.000 0.291 22 Y C 1.353 177.404 175.900 0.253 0.000 1.131 22 Y CA 0.137 58.412 58.100 0.292 0.000 1.281 22 Y CB -0.750 37.823 38.460 0.188 0.000 1.013 22 Y HN -0.029 nan 8.280 nan 0.000 0.554 23 S N 0.263 116.219 115.700 0.427 0.000 3.706 23 S HA -0.265 3.862 4.470 -0.572 0.000 0.363 23 S C 0.981 175.751 174.600 0.284 0.000 0.999 23 S CA 0.727 59.125 58.200 0.331 0.000 1.143 23 S CB -1.821 61.581 63.200 0.337 0.000 0.902 23 S HN 0.646 nan 8.310 nan 0.000 0.476 24 Q N 0.037 120.020 119.800 0.305 0.000 2.424 24 Q HA 0.062 4.058 4.340 -0.572 0.000 0.204 24 Q C 0.662 176.915 176.000 0.421 0.000 0.933 24 Q CA 0.066 56.072 55.803 0.338 0.000 0.929 24 Q CB 0.106 29.074 28.738 0.383 0.000 1.037 24 Q HN 0.812 nan 8.270 nan 0.000 0.511 25 H N 1.758 120.979 119.070 0.250 0.000 2.506 25 H HA -0.166 4.047 4.556 -0.572 0.000 0.323 25 H C -0.934 174.648 175.328 0.424 0.000 1.076 25 H CA 1.109 57.346 56.048 0.316 0.000 1.108 25 H CB -1.286 28.647 29.762 0.285 0.000 1.569 25 H HN 0.594 nan 8.280 nan 0.000 0.399 26 N N -0.495 118.390 118.700 0.307 0.000 2.831 26 N HA 0.539 4.936 4.740 -0.572 0.000 0.276 26 N C -1.309 174.371 175.510 0.284 0.000 1.416 26 N CA -0.719 52.545 53.050 0.356 0.000 0.799 26 N CB 2.692 41.459 38.487 0.468 0.000 1.554 26 N HN 0.129 nan 8.380 nan 0.000 0.541 27 S N -0.497 115.345 115.700 0.237 0.000 2.546 27 S HA 0.426 4.553 4.470 -0.572 0.000 0.272 27 S C -2.444 172.224 174.600 0.113 0.000 1.140 27 S CA -1.261 57.043 58.200 0.175 0.000 0.920 27 S CB 1.708 64.997 63.200 0.149 0.000 1.083 27 S HN 0.525 nan 8.310 nan 0.000 0.476 28 P HA 0.132 nan 4.420 nan 0.000 0.237 28 P C 0.006 177.333 177.300 0.044 0.000 1.178 28 P CA 0.193 63.343 63.100 0.083 0.000 0.766 28 P CB -0.169 31.580 31.700 0.081 0.000 0.876 29 L N 0.264 121.503 121.223 0.028 0.000 2.477 29 L HA 0.207 4.204 4.340 -0.572 0.000 0.272 29 L C 1.294 178.145 176.870 -0.032 0.000 1.157 29 L CA -0.190 54.644 54.840 -0.009 0.000 0.889 29 L CB 0.204 42.245 42.059 -0.029 0.000 1.158 29 L HN -0.046 nan 8.230 nan 0.000 0.473 30 A N 2.712 125.515 122.820 -0.028 0.000 2.571 30 A HA 0.058 4.034 4.320 -0.572 0.000 0.274 30 A C 1.646 179.205 177.584 -0.042 0.000 1.196 30 A CA -0.309 51.709 52.037 -0.031 0.000 0.957 30 A CB 0.157 19.151 19.000 -0.009 0.000 1.150 30 A HN 0.865 nan 8.150 nan 0.000 0.539 31 Q N 0.201 119.965 119.800 -0.061 0.000 2.084 31 Q HA -0.057 3.940 4.340 -0.572 0.000 0.202 31 Q C 0.083 176.034 176.000 -0.081 0.000 0.978 31 Q CA 1.156 56.913 55.803 -0.075 0.000 0.844 31 Q CB -0.116 28.561 28.738 -0.100 0.000 0.898 31 Q HN 0.650 nan 8.270 nan 0.000 0.426 32 I N 2.536 123.055 120.570 -0.086 0.000 2.365 32 I HA 0.169 3.996 4.170 -0.572 0.000 0.291 32 I C -0.445 175.656 176.117 -0.027 0.000 1.004 32 I CA -0.693 60.570 61.300 -0.062 0.000 1.311 32 I CB 0.999 38.968 38.000 -0.051 0.000 1.401 32 I HN 0.315 nan 8.210 nan 0.000 0.491 33 N N 3.759 122.434 118.700 -0.041 0.000 2.972 33 N HA 0.325 4.722 4.740 -0.572 0.000 0.262 33 N C -0.187 175.282 175.510 -0.069 0.000 1.478 33 N CA -1.066 51.956 53.050 -0.047 0.000 0.841 33 N CB 0.741 39.207 38.487 -0.036 0.000 1.512 33 N HN 0.216 nan 8.380 nan 0.000 0.548 34 K N -0.657 119.700 120.400 -0.071 0.000 2.281 34 K HA -0.121 3.856 4.320 -0.572 0.000 0.203 34 K C 0.998 177.562 176.600 -0.059 0.000 1.046 34 K CA 1.784 58.024 56.287 -0.080 0.000 0.938 34 K CB -0.238 32.224 32.500 -0.063 0.000 0.737 34 K HN 0.661 nan 8.250 nan 0.000 0.458 35 S N -0.512 115.161 115.700 -0.045 0.000 2.503 35 S HA 0.090 4.216 4.470 -0.572 0.000 0.215 35 S C 1.536 176.118 174.600 -0.031 0.000 1.003 35 S CA 0.078 58.258 58.200 -0.033 0.000 0.910 35 S CB 0.146 63.331 63.200 -0.025 0.000 0.790 35 S HN 0.143 nan 8.310 nan 0.000 0.514 36 N N 1.533 120.208 118.700 -0.041 0.000 2.349 36 N HA 0.145 4.541 4.740 -0.572 0.000 0.180 36 N C 1.782 177.257 175.510 -0.059 0.000 1.024 36 N CA 0.891 53.913 53.050 -0.047 0.000 0.869 36 N CB -0.763 37.688 38.487 -0.060 0.000 1.022 36 N HN 0.196 nan 8.380 nan 0.000 0.433 37 V N 2.030 121.891 119.914 -0.089 0.000 2.311 37 V HA -0.338 3.439 4.120 -0.572 0.000 0.256 37 V C 2.003 178.030 176.094 -0.111 0.000 1.077 37 V CA 1.921 64.125 62.300 -0.161 0.000 1.067 37 V CB -0.283 31.409 31.823 -0.219 0.000 0.659 37 V HN 0.343 nan 8.190 nan 0.000 0.451 38 K N -0.277 120.144 120.400 0.033 0.000 2.286 38 K HA -0.155 3.821 4.320 -0.572 0.000 0.203 38 K C 1.343 178.064 176.600 0.200 0.000 1.045 38 K CA 1.509 57.905 56.287 0.181 0.000 0.935 38 K CB -0.227 32.340 32.500 0.111 0.000 0.737 38 K HN 0.577 nan 8.250 nan 0.000 0.460 39 N N 0.317 119.065 118.700 0.079 0.000 2.280 39 N HA 0.010 4.407 4.740 -0.572 0.000 0.192 39 N C -0.205 175.344 175.510 0.065 0.000 1.109 39 N CA 0.088 53.190 53.050 0.086 0.000 0.855 39 N CB 0.467 38.975 38.487 0.035 0.000 0.974 39 N HN -0.126 nan 8.380 nan 0.000 0.482 40 V N 2.461 122.349 119.914 -0.045 0.000 2.763 40 V HA 0.006 3.782 4.120 -0.572 0.000 0.306 40 V C 0.634 176.848 176.094 0.201 0.000 1.059 40 V CA 0.258 62.484 62.300 -0.124 0.000 1.138 40 V CB 0.464 31.929 31.823 -0.598 0.000 0.940 40 V HN 0.309 nan 8.190 nan 0.000 0.489 41 K N 3.343 123.856 120.400 0.189 0.000 2.512 41 K HA 0.809 4.786 4.320 -0.572 0.000 0.263 41 K C -0.674 176.035 176.600 0.181 0.000 0.966 41 K CA -0.792 55.660 56.287 0.274 0.000 0.851 41 K CB 2.158 34.762 32.500 0.174 0.000 1.395 41 K HN 0.663 nan 8.250 nan 0.000 0.440 42 A N 0.665 123.475 122.820 -0.016 0.000 2.540 42 A HA 0.403 4.380 4.320 -0.572 0.000 0.239 42 A C 0.801 178.252 177.584 -0.222 0.000 1.061 42 A CA 0.537 52.300 52.037 -0.457 0.000 0.758 42 A CB 0.121 18.756 19.000 -0.608 0.000 0.991 42 A HN 0.926 nan 8.150 nan 0.000 0.502 43 A N 2.899 125.556 122.820 -0.271 0.000 2.055 43 A HA 0.554 4.530 4.320 -0.572 0.000 0.205 43 A C 0.456 178.119 177.584 0.133 0.000 1.235 43 A CA 0.916 52.946 52.037 -0.011 0.000 0.822 43 A CB 0.156 19.214 19.000 0.097 0.000 0.903 43 A HN 1.684 nan 8.150 nan 0.000 0.473 44 W N -1.757 119.440 121.300 -0.171 0.000 3.138 44 W HA 0.495 4.813 4.660 -0.570 0.000 0.332 44 W C -1.456 174.983 176.519 -0.133 0.000 1.090 44 W CA -0.103 57.168 57.345 -0.124 0.000 1.091 44 W CB -0.060 29.343 29.460 -0.096 0.000 1.445 44 W HN 0.479 nan 8.180 nan 0.000 0.559 45 S N 0.707 116.619 115.700 0.353 0.000 2.638 45 S HA 0.907 5.033 4.470 -0.572 0.000 0.274 45 S C -1.799 173.081 174.600 0.466 0.000 1.157 45 S CA -0.771 57.557 58.200 0.214 0.000 0.826 45 S CB 3.215 66.470 63.200 0.093 0.000 1.139 45 S HN 0.931 nan 8.310 nan 0.000 0.474 46 F N 1.019 121.065 119.950 0.161 0.000 2.605 46 F HA 0.661 4.844 4.527 -0.573 0.000 0.320 46 F C -0.597 175.183 175.800 -0.034 0.000 1.159 46 F CA -0.210 57.838 58.000 0.080 0.000 0.999 46 F CB 2.043 41.123 39.000 0.135 0.000 1.258 46 F HN 0.824 nan 8.300 nan 0.000 0.464 47 S N 2.595 117.875 115.700 -0.700 0.000 2.489 47 S HA 0.370 4.496 4.470 -0.572 0.000 0.291 47 S C 0.881 174.933 174.600 -0.912 0.000 1.151 47 S CA 0.200 58.057 58.200 -0.571 0.000 1.082 47 S CB 1.311 64.303 63.200 -0.346 0.000 1.019 47 S HN 0.873 nan 8.310 nan 0.000 0.492 48 T N 1.219 115.483 114.554 -0.483 0.000 3.067 48 T HA 0.268 4.275 4.350 -0.572 0.000 0.257 48 T C 1.477 176.077 174.700 -0.167 0.000 1.105 48 T CA 0.744 62.687 62.100 -0.263 0.000 1.104 48 T CB -0.598 68.359 68.868 0.147 0.000 0.925 48 T HN 1.753 nan 8.240 nan 0.000 0.498 49 G N 0.492 109.179 108.800 -0.190 0.000 2.147 49 G HA2 -0.164 3.453 3.960 -0.572 0.000 0.244 49 G HA3 -0.164 3.453 3.960 -0.572 0.000 0.244 49 G C -0.054 174.849 174.900 0.004 0.000 1.005 49 G CA 0.072 45.114 45.100 -0.097 0.000 0.713 49 G HN 0.787 nan 8.290 nan 0.000 0.515 50 V N 0.548 120.495 119.914 0.055 0.000 2.876 50 V HA 0.743 4.520 4.120 -0.572 0.000 0.312 50 V C 0.388 176.584 176.094 0.170 0.000 1.085 50 V CA -1.135 61.247 62.300 0.138 0.000 0.945 50 V CB 1.895 33.842 31.823 0.206 0.000 1.017 50 V HN 0.126 nan 8.190 nan 0.000 0.428 51 L N 1.899 123.212 121.223 0.150 0.000 2.994 51 L HA 0.676 4.673 4.340 -0.572 0.000 0.198 51 L C 0.710 177.710 176.870 0.216 0.000 1.530 51 L CA -0.225 54.695 54.840 0.133 0.000 1.565 51 L CB -0.137 41.948 42.059 0.043 0.000 2.470 51 L HN 0.923 nan 8.230 nan 0.000 0.564 52 N N -1.369 117.392 118.700 0.103 0.000 6.535 52 N HA -0.155 4.242 4.740 -0.572 0.000 0.409 52 N C 0.033 175.644 175.510 0.167 0.000 0.975 52 N CA 0.788 53.876 53.050 0.063 0.000 1.813 52 N CB -0.819 37.685 38.487 0.029 0.000 0.751 52 N HN 0.784 nan 8.380 nan 0.000 0.467 53 G N 0.213 109.073 108.800 0.100 0.000 2.313 53 G HA2 0.242 3.859 3.960 -0.572 0.000 0.250 53 G HA3 0.242 3.859 3.960 -0.572 0.000 0.250 53 G C -0.498 174.435 174.900 0.055 0.000 1.281 53 G CA 0.283 45.463 45.100 0.134 0.000 0.917 53 G HN 0.486 nan 8.290 nan 0.000 0.501 54 H N 1.727 120.854 119.070 0.094 0.000 2.683 54 H HA 0.303 4.515 4.556 -0.573 0.000 0.270 54 H C 0.349 175.772 175.328 0.158 0.000 1.201 54 H CA -0.326 55.758 56.048 0.060 0.000 1.277 54 H CB 0.704 30.438 29.762 -0.047 0.000 1.400 54 H HN 0.595 nan 8.280 nan 0.000 0.504 55 E N 1.187 121.537 120.200 0.249 0.000 2.254 55 E HA 0.553 4.559 4.350 -0.572 0.000 0.261 55 E C 0.606 177.510 176.600 0.506 0.000 1.051 55 E CA -0.192 56.443 56.400 0.393 0.000 0.902 55 E CB 1.450 31.404 29.700 0.424 0.000 1.168 55 E HN 0.750 nan 8.360 nan 0.000 0.423 56 G N -0.087 109.048 108.800 0.559 0.000 2.632 56 G HA2 0.128 3.744 3.960 -0.572 0.000 0.224 56 G HA3 0.128 3.744 3.960 -0.572 0.000 0.224 56 G C -0.927 174.281 174.900 0.513 0.000 1.341 56 G CA -0.481 44.986 45.100 0.612 0.000 0.880 56 G HN 0.900 nan 8.290 nan 0.000 0.566 57 A N -0.430 122.691 122.820 0.503 0.000 2.612 57 A HA 0.939 4.915 4.320 -0.572 0.000 0.293 57 A C -2.815 174.973 177.584 0.341 0.000 1.075 57 A CA -0.055 52.191 52.037 0.348 0.000 0.680 57 A CB 1.676 20.830 19.000 0.258 0.000 1.279 57 A HN 1.117 nan 8.150 nan 0.000 0.411 58 P HA 0.512 nan 4.420 nan 0.000 0.276 58 P C -0.865 176.554 177.300 0.198 0.000 1.261 58 P CA -0.248 62.969 63.100 0.196 0.000 0.800 58 P CB 0.627 32.366 31.700 0.065 0.000 1.066 59 L N 0.452 121.810 121.223 0.226 0.000 2.322 59 L HA 0.457 4.454 4.340 -0.572 0.000 0.279 59 L C -0.221 176.749 176.870 0.167 0.000 1.036 59 L CA -1.106 53.897 54.840 0.271 0.000 0.807 59 L CB 1.888 44.072 42.059 0.208 0.000 1.226 59 L HN 0.063 nan 8.230 nan 0.000 0.433 60 V N 4.718 124.710 119.914 0.130 0.000 2.407 60 V HA 0.434 4.211 4.120 -0.572 0.000 0.291 60 V C -0.387 175.713 176.094 0.010 0.000 1.018 60 V CA -0.283 62.003 62.300 -0.023 0.000 0.842 60 V CB 1.889 33.571 31.823 -0.234 0.000 0.996 60 V HN 0.478 nan 8.190 nan 0.000 0.426 61 I N 5.133 125.699 120.570 -0.006 0.000 2.493 61 I HA 0.723 4.550 4.170 -0.572 0.000 0.279 61 I C 0.788 176.897 176.117 -0.012 0.000 1.045 61 I CA 0.457 61.695 61.300 -0.104 0.000 1.106 61 I CB 1.332 39.104 38.000 -0.379 0.000 1.216 61 I HN 0.821 nan 8.210 nan 0.000 0.459 62 G N 5.206 114.012 108.800 0.011 0.000 2.536 62 G HA2 -0.301 3.316 3.960 -0.572 0.000 0.277 62 G HA3 -0.301 3.316 3.960 -0.572 0.000 0.277 62 G C 0.297 175.248 174.900 0.085 0.000 1.155 62 G CA 0.487 45.623 45.100 0.060 0.000 0.960 62 G HN 0.725 nan 8.290 nan 0.000 0.544 63 D N 0.391 120.829 120.400 0.063 0.000 2.424 63 D HA 0.348 4.644 4.640 -0.572 0.000 0.220 63 D C 0.983 177.171 176.300 -0.187 0.000 1.150 63 D CA 0.062 54.066 54.000 0.008 0.000 0.831 63 D CB 0.012 40.894 40.800 0.136 0.000 0.981 63 D HN 0.445 nan 8.370 nan 0.000 0.500 64 M N 0.658 120.162 119.600 -0.159 0.000 2.436 64 M HA 0.414 4.550 4.480 -0.572 0.000 0.331 64 M C -0.561 175.494 176.300 -0.408 0.000 1.135 64 M CA -0.498 54.609 55.300 -0.321 0.000 0.987 64 M CB 2.498 34.955 32.600 -0.237 0.000 1.687 64 M HN -0.005 nan 8.290 nan 0.000 0.445 65 M N 2.607 121.831 119.600 -0.626 0.000 2.383 65 M HA 0.474 4.611 4.480 -0.572 0.000 0.325 65 M C -2.053 173.763 176.300 -0.806 0.000 1.092 65 M CA -0.479 54.497 55.300 -0.540 0.000 0.961 65 M CB 1.822 34.166 32.600 -0.426 0.000 1.672 65 M HN 0.589 nan 8.290 nan 0.000 0.438 66 Y N 3.653 123.843 120.300 -0.184 0.000 2.326 66 Y HA 0.559 4.766 4.550 -0.573 0.000 0.331 66 Y C -0.538 175.337 175.900 -0.041 0.000 0.962 66 Y CA -0.832 57.178 58.100 -0.150 0.000 1.167 66 Y CB 1.465 39.877 38.460 -0.080 0.000 1.148 66 Y HN 0.318 nan 8.280 nan 0.000 0.463 67 V N 3.884 123.833 119.914 0.059 0.000 2.667 67 V HA 0.493 4.270 4.120 -0.572 0.000 0.308 67 V C -0.326 175.951 176.094 0.305 0.000 1.048 67 V CA -0.793 61.613 62.300 0.177 0.000 0.928 67 V CB 1.582 33.443 31.823 0.064 0.000 1.004 67 V HN 0.843 nan 8.190 nan 0.000 0.444 68 H N 1.207 120.404 119.070 0.212 0.000 2.928 68 H HA 0.805 5.017 4.556 -0.573 0.000 0.371 68 H C -0.696 174.781 175.328 0.248 0.000 1.186 68 H CA -0.485 55.670 56.048 0.179 0.000 1.134 68 H CB 1.960 31.803 29.762 0.136 0.000 1.824 68 H HN 0.680 nan 8.280 nan 0.000 0.554 69 S N 1.316 117.029 115.700 0.022 0.000 2.759 69 S HA 0.824 4.951 4.470 -0.572 0.000 0.310 69 S C 0.268 174.755 174.600 -0.188 0.000 1.123 69 S CA -0.393 57.777 58.200 -0.050 0.000 0.959 69 S CB 1.589 64.915 63.200 0.210 0.000 1.172 69 S HN 1.071 nan 8.310 nan 0.000 0.539 70 A N 0.444 123.006 122.820 -0.430 0.000 2.281 70 A HA 0.506 4.483 4.320 -0.572 0.000 0.271 70 A C 0.071 177.678 177.584 0.037 0.000 1.196 70 A CA -0.511 51.414 52.037 -0.187 0.000 0.807 70 A CB -0.644 18.217 19.000 -0.231 0.000 1.138 70 A HN 0.977 nan 8.150 nan 0.000 0.506 71 F N 0.650 120.595 119.950 -0.008 0.000 2.629 71 F HA 0.213 4.397 4.527 -0.573 0.000 0.369 71 F C -1.194 174.620 175.800 0.025 0.000 1.125 71 F CA -0.979 57.035 58.000 0.023 0.000 1.330 71 F CB 0.707 39.730 39.000 0.039 0.000 1.071 71 F HN 0.281 nan 8.300 nan 0.000 0.595 72 P HA 0.026 nan 4.420 nan 0.000 0.255 72 P C -1.145 175.891 177.300 -0.439 0.000 1.427 72 P CA 0.250 62.758 63.100 -0.986 0.000 0.863 72 P CB -0.575 30.620 31.700 -0.843 0.000 1.444 73 N N -0.443 118.148 118.700 -0.183 0.000 2.681 73 N HA -0.135 4.262 4.740 -0.572 0.000 0.259 73 N C -0.536 174.940 175.510 -0.057 0.000 1.066 73 N CA 0.263 53.286 53.050 -0.044 0.000 0.717 73 N CB -1.654 36.829 38.487 -0.007 0.000 0.885 73 N HN 0.290 nan 8.380 nan 0.000 0.547 74 N N 0.430 119.073 118.700 -0.094 0.000 2.493 74 N HA 0.410 4.807 4.740 -0.572 0.000 0.275 74 N C -0.069 175.249 175.510 -0.321 0.000 1.186 74 N CA 0.105 53.014 53.050 -0.236 0.000 0.978 74 N CB 0.903 39.204 38.487 -0.309 0.000 1.184 74 N HN 0.137 nan 8.380 nan 0.000 0.487 75 T N 1.418 115.718 114.554 -0.422 0.000 2.824 75 T HA 0.446 4.453 4.350 -0.572 0.000 0.282 75 T C -1.001 173.303 174.700 -0.660 0.000 0.993 75 T CA -0.389 61.505 62.100 -0.344 0.000 0.967 75 T CB 0.287 69.181 68.868 0.044 0.000 0.960 75 T HN 0.215 nan 8.240 nan 0.000 0.441 76 Y N 1.130 121.353 120.300 -0.129 0.000 2.331 76 Y HA 0.639 4.846 4.550 -0.573 0.000 0.334 76 Y C 0.186 175.719 175.900 -0.612 0.000 0.960 76 Y CA -1.275 56.639 58.100 -0.310 0.000 1.130 76 Y CB 1.407 39.739 38.460 -0.214 0.000 1.164 76 Y HN 0.779 nan 8.280 nan 0.000 0.458 77 A N 5.257 127.605 122.820 -0.787 0.000 2.260 77 A HA 0.820 4.796 4.320 -0.572 0.000 0.314 77 A C -1.007 176.152 177.584 -0.709 0.000 1.257 77 A CA -0.591 50.821 52.037 -1.043 0.000 0.871 77 A CB 0.251 18.246 19.000 -1.674 0.000 1.166 77 A HN 0.807 nan 8.150 nan 0.000 0.522 78 L N 2.700 123.512 121.223 -0.685 0.000 2.365 78 L HA 0.443 4.440 4.340 -0.572 0.000 0.273 78 L C 0.073 176.641 176.870 -0.503 0.000 1.000 78 L CA -0.892 53.623 54.840 -0.542 0.000 0.819 78 L CB 1.834 43.545 42.059 -0.579 0.000 1.284 78 L HN 0.742 nan 8.230 nan 0.000 0.418 79 N N 2.171 120.631 118.700 -0.400 0.000 2.434 79 N HA 0.107 4.504 4.740 -0.572 0.000 0.272 79 N C 0.550 175.780 175.510 -0.465 0.000 1.040 79 N CA -0.502 52.337 53.050 -0.352 0.000 0.956 79 N CB 1.633 39.989 38.487 -0.218 0.000 1.108 79 N HN 0.523 nan 8.380 nan 0.000 0.481 80 L N 3.694 124.563 121.223 -0.589 0.000 2.447 80 L HA -0.046 3.950 4.340 -0.572 0.000 0.225 80 L C 1.829 178.191 176.870 -0.846 0.000 1.148 80 L CA 0.896 55.186 54.840 -0.917 0.000 0.808 80 L CB -0.915 40.367 42.059 -1.295 0.000 0.928 80 L HN 0.624 nan 8.230 nan 0.000 0.448 81 N N -0.588 117.857 118.700 -0.426 0.000 2.494 81 N HA -0.085 4.312 4.740 -0.572 0.000 0.182 81 N C -0.010 175.400 175.510 -0.166 0.000 1.076 81 N CA 0.645 53.637 53.050 -0.097 0.000 0.908 81 N CB 0.346 38.861 38.487 0.047 0.000 0.967 81 N HN 0.276 nan 8.380 nan 0.000 0.449 82 D N -1.169 119.053 120.400 -0.297 0.000 2.668 82 D HA 0.152 4.449 4.640 -0.572 0.000 0.234 82 D C -2.328 173.719 176.300 -0.422 0.000 1.349 82 D CA -1.120 52.703 54.000 -0.296 0.000 0.889 82 D CB 0.774 41.466 40.800 -0.180 0.000 1.520 82 D HN -0.166 nan 8.370 nan 0.000 0.521 83 P HA -0.015 nan 4.420 nan 0.000 0.222 83 P C 1.423 178.389 177.300 -0.555 0.000 1.142 83 P CA 1.146 63.693 63.100 -0.922 0.000 0.788 83 P CB 0.271 30.921 31.700 -1.749 0.000 0.767 84 G N -0.603 107.979 108.800 -0.363 0.000 2.534 84 G HA2 -0.122 3.495 3.960 -0.572 0.000 0.217 84 G HA3 -0.122 3.495 3.960 -0.572 0.000 0.217 84 G C 0.459 175.272 174.900 -0.144 0.000 1.128 84 G CA 0.202 45.183 45.100 -0.199 0.000 0.784 84 G HN 0.292 nan 8.290 nan 0.000 0.542 85 K N 0.514 120.806 120.400 -0.180 0.000 2.206 85 K HA 0.452 4.429 4.320 -0.572 0.000 0.264 85 K C -0.983 175.524 176.600 -0.155 0.000 0.967 85 K CA -0.685 55.524 56.287 -0.130 0.000 0.844 85 K CB 2.503 34.938 32.500 -0.108 0.000 1.099 85 K HN -0.022 nan 8.250 nan 0.000 0.441 86 I N 3.760 124.278 120.570 -0.087 0.000 2.269 86 I HA -0.027 3.799 4.170 -0.572 0.000 0.293 86 I C 1.555 177.636 176.117 -0.061 0.000 1.106 86 I CA -0.355 60.895 61.300 -0.084 0.000 1.248 86 I CB 0.908 38.929 38.000 0.035 0.000 1.444 86 I HN 0.438 nan 8.210 nan 0.000 0.497 87 V N 6.638 126.477 119.914 -0.124 0.000 2.332 87 V HA -0.143 3.633 4.120 -0.572 0.000 0.248 87 V C 0.544 176.720 176.094 0.138 0.000 1.055 87 V CA 1.525 63.812 62.300 -0.022 0.000 1.038 87 V CB -0.533 31.257 31.823 -0.054 0.000 0.651 87 V HN 0.824 nan 8.190 nan 0.000 0.450 88 W N 0.256 121.561 121.300 0.009 0.000 3.248 88 W HA 0.640 4.957 4.660 -0.572 0.000 0.311 88 W C -1.528 175.032 176.519 0.067 0.000 1.258 88 W CA -1.039 56.328 57.345 0.038 0.000 1.191 88 W CB 1.044 30.527 29.460 0.038 0.000 1.389 88 W HN 0.246 nan 8.180 nan 0.000 0.561 89 Q N 1.648 121.690 119.800 0.403 0.000 2.416 89 Q HA 0.530 4.527 4.340 -0.572 0.000 0.281 89 Q C -2.101 174.108 176.000 0.348 0.000 1.067 89 Q CA -0.922 55.010 55.803 0.214 0.000 0.809 89 Q CB 3.471 32.319 28.738 0.185 0.000 1.418 89 Q HN 0.608 nan 8.270 nan 0.000 0.411 90 H N 0.671 119.809 119.070 0.112 0.000 2.658 90 H HA 0.479 4.692 4.556 -0.573 0.000 0.337 90 H C -1.580 173.714 175.328 -0.057 0.000 1.009 90 H CA -0.463 55.643 56.048 0.097 0.000 1.231 90 H CB 1.579 31.453 29.762 0.187 0.000 1.508 90 H HN 0.567 nan 8.280 nan 0.000 0.517 91 K N 6.765 126.810 120.400 -0.591 0.000 2.621 91 K HA 0.278 4.254 4.320 -0.572 0.000 0.233 91 K C -2.712 173.602 176.600 -0.476 0.000 0.972 91 K CA -1.888 54.148 56.287 -0.417 0.000 0.988 91 K CB 1.562 33.943 32.500 -0.200 0.000 1.187 91 K HN 0.503 nan 8.250 nan 0.000 0.471 92 P HA 0.049 nan 4.420 nan 0.000 0.272 92 P C -0.931 176.235 177.300 -0.223 0.000 1.230 92 P CA -0.455 62.469 63.100 -0.292 0.000 0.788 92 P CB 0.638 32.222 31.700 -0.192 0.000 0.949 93 K N 2.153 122.454 120.400 -0.165 0.000 2.334 93 K HA 0.248 4.224 4.320 -0.572 0.000 0.265 93 K C -0.608 175.923 176.600 -0.115 0.000 1.039 93 K CA -0.296 55.921 56.287 -0.117 0.000 0.920 93 K CB 0.275 32.732 32.500 -0.072 0.000 1.160 93 K HN 0.379 nan 8.250 nan 0.000 0.451 94 Q N 2.240 121.976 119.800 -0.106 0.000 2.375 94 Q HA 0.155 4.151 4.340 -0.572 0.000 0.271 94 Q C -1.240 174.821 176.000 0.103 0.000 1.074 94 Q CA -1.057 54.728 55.803 -0.030 0.000 0.808 94 Q CB 2.030 30.741 28.738 -0.045 0.000 1.327 94 Q HN 0.595 nan 8.270 nan 0.000 0.441 95 D N 0.720 121.189 120.400 0.115 0.000 2.443 95 D HA 0.045 4.342 4.640 -0.572 0.000 0.239 95 D C 0.191 176.618 176.300 0.211 0.000 1.136 95 D CA 0.273 54.347 54.000 0.124 0.000 0.879 95 D CB 1.498 42.343 40.800 0.075 0.000 1.195 95 D HN 0.735 nan 8.370 nan 0.000 0.443 96 A N 2.699 125.615 122.820 0.159 0.000 2.167 96 A HA -0.080 3.897 4.320 -0.572 0.000 0.214 96 A C 2.013 179.584 177.584 -0.022 0.000 1.151 96 A CA 1.073 53.180 52.037 0.116 0.000 0.735 96 A CB -0.209 18.852 19.000 0.101 0.000 0.802 96 A HN 0.573 nan 8.150 nan 0.000 0.467 97 S N -0.582 115.114 115.700 -0.006 0.000 2.406 97 S HA -0.134 3.993 4.470 -0.572 0.000 0.228 97 S C 1.774 176.327 174.600 -0.078 0.000 1.020 97 S CA 1.499 59.677 58.200 -0.036 0.000 0.965 97 S CB -1.037 62.154 63.200 -0.014 0.000 0.798 97 S HN 0.487 nan 8.310 nan 0.000 0.488 98 T N 2.850 117.360 114.554 -0.073 0.000 2.680 98 T HA -0.196 3.811 4.350 -0.572 0.000 0.268 98 T C 1.652 176.221 174.700 -0.218 0.000 1.033 98 T CA 1.978 64.016 62.100 -0.102 0.000 1.152 98 T CB -0.430 68.433 68.868 -0.008 0.000 0.859 98 T HN 0.530 nan 8.240 nan 0.000 0.452 99 K N 1.067 121.242 120.400 -0.374 0.000 2.103 99 K HA 0.026 4.003 4.320 -0.572 0.000 0.207 99 K C 2.471 178.971 176.600 -0.166 0.000 1.048 99 K CA 1.208 57.279 56.287 -0.361 0.000 0.930 99 K CB -0.247 32.006 32.500 -0.410 0.000 0.716 99 K HN 0.336 nan 8.250 nan 0.000 0.444 100 A N 0.813 123.564 122.820 -0.115 0.000 2.168 100 A HA -0.035 3.942 4.320 -0.572 0.000 0.215 100 A C 1.616 179.207 177.584 0.012 0.000 1.152 100 A CA 0.972 52.985 52.037 -0.041 0.000 0.716 100 A CB -0.173 18.808 19.000 -0.032 0.000 0.794 100 A HN 0.173 nan 8.150 nan 0.000 0.465 101 V N -3.973 115.893 119.914 -0.080 0.000 3.043 101 V HA 0.487 4.264 4.120 -0.572 0.000 0.357 101 V C 0.039 176.038 176.094 -0.157 0.000 1.372 101 V CA -0.182 61.991 62.300 -0.211 0.000 1.214 101 V CB -0.910 30.777 31.823 -0.226 0.000 1.224 101 V HN 0.355 nan 8.190 nan 0.000 0.507 102 M N 1.084 120.678 119.600 -0.009 0.000 2.125 102 M HA 0.322 4.459 4.480 -0.572 0.000 0.321 102 M C 1.162 177.520 176.300 0.097 0.000 0.983 102 M CA -0.534 54.766 55.300 -0.001 0.000 0.934 102 M CB 1.868 34.446 32.600 -0.038 0.000 1.542 102 M HN 0.526 nan 8.290 nan 0.000 0.424 103 C N 0.465 119.818 119.300 0.088 0.000 2.457 103 C HA 0.062 4.178 4.460 -0.572 0.000 0.278 103 C C 1.017 175.897 174.990 -0.183 0.000 1.309 103 C CA 0.152 59.181 59.018 0.019 0.000 1.735 103 C CB -0.697 27.013 27.740 -0.050 0.000 1.992 103 C HN 0.863 nan 8.230 nan 0.000 0.493 104 C N 2.074 121.286 119.300 -0.147 0.000 3.114 104 C HA 0.579 4.695 4.460 -0.572 0.000 0.215 104 C C -0.596 174.433 174.990 0.064 0.000 1.759 104 C CA -0.376 58.574 59.018 -0.114 0.000 1.455 104 C CB -2.308 25.293 27.740 -0.232 0.000 2.528 104 C HN 0.813 nan 8.230 nan 0.000 0.511 105 D N 0.070 120.546 120.400 0.127 0.000 10.664 105 D HA -0.168 4.129 4.640 -0.572 0.000 0.333 105 D C 0.095 176.488 176.300 0.155 0.000 3.148 105 D CA 0.885 55.029 54.000 0.240 0.000 2.717 105 D CB 0.128 41.069 40.800 0.236 0.000 1.239 105 D HN 0.687 nan 8.370 nan 0.000 0.949 106 V N 0.759 120.775 119.914 0.171 0.000 2.836 106 V HA 0.467 4.243 4.120 -0.572 0.000 0.368 106 V C 1.053 177.241 176.094 0.156 0.000 1.452 106 V CA 0.187 62.566 62.300 0.132 0.000 1.586 106 V CB -0.627 31.257 31.823 0.101 0.000 1.436 106 V HN 0.656 nan 8.190 nan 0.000 0.541 107 V N -1.005 118.995 119.914 0.143 0.000 3.264 107 V HA 0.669 4.446 4.120 -0.572 0.000 0.304 107 V C -0.063 176.137 176.094 0.177 0.000 1.086 107 V CA -0.222 62.169 62.300 0.152 0.000 1.090 107 V CB 1.548 33.490 31.823 0.199 0.000 1.112 107 V HN 0.642 nan 8.190 nan 0.000 0.472 108 D N 0.361 120.890 120.400 0.215 0.000 2.764 108 D HA 0.319 4.615 4.640 -0.572 0.000 0.227 108 D C 0.414 176.943 176.300 0.382 0.000 1.347 108 D CA -0.573 53.589 54.000 0.270 0.000 0.953 108 D CB 1.837 42.815 40.800 0.297 0.000 1.476 108 D HN 0.617 nan 8.370 nan 0.000 0.585 109 R N 1.776 122.442 120.500 0.277 0.000 2.313 109 R HA 0.416 4.412 4.340 -0.572 0.000 0.199 109 R C 1.083 177.528 176.300 0.240 0.000 0.958 109 R CA 0.379 56.680 56.100 0.334 0.000 1.047 109 R CB 0.354 30.745 30.300 0.151 0.000 0.955 109 R HN 0.555 nan 8.270 nan 0.000 0.481 110 G N 0.360 109.082 108.800 -0.129 0.000 2.354 110 G HA2 -0.070 3.547 3.960 -0.572 0.000 0.582 110 G HA3 -0.070 3.547 3.960 -0.572 0.000 0.582 110 G C -1.069 173.702 174.900 -0.214 0.000 1.316 110 G CA -1.105 43.694 45.100 -0.501 0.000 0.995 110 G HN -0.001 nan 8.290 nan 0.000 0.573 111 L N 0.079 121.211 121.223 -0.152 0.000 2.387 111 L HA 0.831 4.828 4.340 -0.572 0.000 0.266 111 L C 0.892 177.788 176.870 0.044 0.000 1.059 111 L CA -0.475 54.349 54.840 -0.027 0.000 0.801 111 L CB 1.521 43.585 42.059 0.008 0.000 1.223 111 L HN 1.257 nan 8.230 nan 0.000 0.456 112 A N 0.682 123.512 122.820 0.015 0.000 2.469 112 A HA 0.699 4.676 4.320 -0.572 0.000 0.299 112 A C -1.971 175.617 177.584 0.006 0.000 1.098 112 A CA -0.388 51.655 52.037 0.011 0.000 0.737 112 A CB 1.684 20.673 19.000 -0.019 0.000 1.312 112 A HN 0.600 nan 8.150 nan 0.000 0.414 113 Y N 0.075 120.290 120.300 -0.142 0.000 2.442 113 Y HA 0.639 4.845 4.550 -0.572 0.000 0.344 113 Y C -0.018 175.801 175.900 -0.135 0.000 0.976 113 Y CA 0.011 58.015 58.100 -0.160 0.000 1.040 113 Y CB 2.075 40.438 38.460 -0.161 0.000 1.228 113 Y HN 1.165 nan 8.280 nan 0.000 0.451 114 G N 2.628 110.928 108.800 -0.834 0.000 2.755 114 G HA2 0.539 4.155 3.960 -0.572 0.000 0.297 114 G HA3 0.539 4.155 3.960 -0.572 0.000 0.297 114 G C -0.499 174.047 174.900 -0.590 0.000 1.441 114 G CA -0.418 44.341 45.100 -0.568 0.000 0.964 114 G HN 1.551 nan 8.290 nan 0.000 0.540 115 A N -0.188 122.405 122.820 -0.379 0.000 2.596 115 A HA 0.319 4.296 4.320 -0.572 0.000 0.300 115 A C 2.127 179.550 177.584 -0.268 0.000 1.495 115 A CA 2.046 53.944 52.037 -0.230 0.000 0.769 115 A CB -1.328 17.593 19.000 -0.132 0.000 1.047 115 A HN 3.082 nan 8.150 nan 0.000 0.436 116 G N -1.888 106.677 108.800 -0.392 0.000 2.283 116 G HA2 -0.183 3.434 3.960 -0.572 0.000 0.280 116 G HA3 -0.183 3.434 3.960 -0.572 0.000 0.280 116 G C -0.127 174.631 174.900 -0.236 0.000 1.029 116 G CA 1.146 46.129 45.100 -0.195 0.000 0.840 116 G HN 1.557 nan 8.290 nan 0.000 0.505 117 Q N -1.090 118.435 119.800 -0.458 0.000 2.423 117 Q HA 0.685 4.682 4.340 -0.572 0.000 0.278 117 Q C -0.342 175.430 176.000 -0.380 0.000 1.097 117 Q CA -1.190 54.407 55.803 -0.343 0.000 0.809 117 Q CB 2.056 30.596 28.738 -0.329 0.000 1.391 117 Q HN 0.154 nan 8.270 nan 0.000 0.428 118 I N 2.207 122.629 120.570 -0.247 0.000 2.321 118 I HA 0.268 4.095 4.170 -0.572 0.000 0.291 118 I C -0.458 175.515 176.117 -0.239 0.000 0.998 118 I CA -0.573 60.620 61.300 -0.178 0.000 1.227 118 I CB 1.360 39.323 38.000 -0.061 0.000 1.368 118 I HN 0.384 nan 8.210 nan 0.000 0.466 119 V N 7.775 127.565 119.914 -0.206 0.000 2.383 119 V HA 0.428 4.205 4.120 -0.572 0.000 0.275 119 V C 0.221 176.222 176.094 -0.155 0.000 1.036 119 V CA -0.611 61.547 62.300 -0.237 0.000 0.889 119 V CB 1.485 33.199 31.823 -0.181 0.000 0.985 119 V HN 0.736 nan 8.190 nan 0.000 0.459 120 K N 4.903 125.188 120.400 -0.192 0.000 2.477 120 K HA 0.694 4.670 4.320 -0.572 0.000 0.255 120 K C -1.096 175.449 176.600 -0.092 0.000 0.952 120 K CA -0.899 55.326 56.287 -0.102 0.000 0.826 120 K CB 2.825 35.275 32.500 -0.084 0.000 1.331 120 K HN 0.677 nan 8.250 nan 0.000 0.437 121 K N 1.203 121.589 120.400 -0.024 0.000 2.316 121 K HA 0.421 4.397 4.320 -0.572 0.000 0.234 121 K C -0.883 175.743 176.600 0.042 0.000 1.054 121 K CA -0.816 55.475 56.287 0.008 0.000 0.879 121 K CB 1.463 33.984 32.500 0.035 0.000 1.252 121 K HN 0.516 nan 8.250 nan 0.000 0.471 122 Q N -0.679 119.159 119.800 0.064 0.000 2.372 122 Q HA 0.443 4.440 4.340 -0.572 0.000 0.273 122 Q C 0.095 176.161 176.000 0.110 0.000 1.078 122 Q CA -0.760 55.081 55.803 0.063 0.000 0.806 122 Q CB 2.136 30.877 28.738 0.004 0.000 1.332 122 Q HN 0.808 nan 8.270 nan 0.000 0.435 123 A N 2.187 125.104 122.820 0.162 0.000 1.986 123 A HA -0.227 3.749 4.320 -0.572 0.000 0.220 123 A C 1.367 179.052 177.584 0.167 0.000 1.171 123 A CA 2.167 54.326 52.037 0.204 0.000 0.640 123 A CB -0.548 18.668 19.000 0.361 0.000 0.811 123 A HN 0.842 nan 8.150 nan 0.000 0.451 124 N N -0.665 118.134 118.700 0.166 0.000 2.501 124 N HA 0.202 4.598 4.740 -0.572 0.000 0.195 124 N C 0.931 176.550 175.510 0.182 0.000 1.213 124 N CA 1.235 54.371 53.050 0.144 0.000 0.864 124 N CB -0.495 38.057 38.487 0.109 0.000 0.999 124 N HN 0.884 nan 8.380 nan 0.000 0.454 125 G N -0.786 108.118 108.800 0.173 0.000 2.175 125 G HA2 -0.230 3.386 3.960 -0.572 0.000 0.244 125 G HA3 -0.230 3.386 3.960 -0.572 0.000 0.244 125 G C -0.336 174.680 174.900 0.194 0.000 0.982 125 G CA -0.061 45.139 45.100 0.166 0.000 0.641 125 G HN 0.646 nan 8.290 nan 0.000 0.527 126 H N -0.901 118.176 119.070 0.012 0.000 2.505 126 H HA 0.593 4.806 4.556 -0.572 0.000 0.351 126 H C -0.433 174.866 175.328 -0.049 0.000 1.151 126 H CA -0.210 55.829 56.048 -0.015 0.000 1.339 126 H CB 2.093 31.853 29.762 -0.004 0.000 1.483 126 H HN 0.261 nan 8.280 nan 0.000 0.558 127 L N 3.821 125.057 121.223 0.021 0.000 2.410 127 L HA 0.444 4.440 4.340 -0.572 0.000 0.270 127 L C -1.544 175.262 176.870 -0.106 0.000 0.983 127 L CA -0.527 54.270 54.840 -0.070 0.000 0.822 127 L CB 1.379 43.325 42.059 -0.189 0.000 1.285 127 L HN 0.565 nan 8.230 nan 0.000 0.409 128 L N 2.425 123.470 121.223 -0.297 0.000 2.479 128 L HA 1.076 5.073 4.340 -0.572 0.000 0.255 128 L C -0.982 175.349 176.870 -0.899 0.000 1.026 128 L CA -1.066 53.407 54.840 -0.611 0.000 0.842 128 L CB 1.863 43.685 42.059 -0.395 0.000 1.444 128 L HN 0.707 nan 8.230 nan 0.000 0.409 129 A N 2.199 124.227 122.820 -1.319 0.000 2.330 129 A HA 0.899 4.875 4.320 -0.572 0.000 0.313 129 A C -0.945 176.194 177.584 -0.742 0.000 1.124 129 A CA -0.460 50.898 52.037 -1.131 0.000 0.774 129 A CB 1.065 19.078 19.000 -1.644 0.000 1.198 129 A HN 0.661 nan 8.150 nan 0.000 0.465 130 L N 1.410 122.322 121.223 -0.517 0.000 2.381 130 L HA 0.444 4.441 4.340 -0.572 0.000 0.268 130 L C -0.298 176.348 176.870 -0.374 0.000 0.997 130 L CA -1.027 53.540 54.840 -0.454 0.000 0.818 130 L CB 1.967 43.754 42.059 -0.455 0.000 1.310 130 L HN 0.777 nan 8.230 nan 0.000 0.416 131 D N 1.340 121.514 120.400 -0.377 0.000 2.472 131 D HA 0.168 4.464 4.640 -0.572 0.000 0.237 131 D C 0.818 176.992 176.300 -0.211 0.000 1.141 131 D CA 0.489 54.332 54.000 -0.262 0.000 0.875 131 D CB 1.694 42.357 40.800 -0.230 0.000 1.192 131 D HN 0.641 nan 8.370 nan 0.000 0.450 132 A N 3.857 126.678 122.820 0.001 0.000 2.167 132 A HA -0.053 3.924 4.320 -0.572 0.000 0.214 132 A C 1.624 179.508 177.584 0.500 0.000 1.151 132 A CA 0.765 52.973 52.037 0.285 0.000 0.735 132 A CB -0.130 19.030 19.000 0.266 0.000 0.802 132 A HN 0.650 nan 8.150 nan 0.000 0.467 133 K N -0.973 119.564 120.400 0.227 0.000 2.335 133 K HA 0.025 4.002 4.320 -0.572 0.000 0.195 133 K C 1.593 178.260 176.600 0.111 0.000 1.058 133 K CA 1.367 57.795 56.287 0.235 0.000 0.988 133 K CB 0.078 32.655 32.500 0.129 0.000 0.880 133 K HN 0.535 nan 8.250 nan 0.000 0.513 134 T N -3.364 111.065 114.554 -0.208 0.000 2.955 134 T HA 0.231 4.237 4.350 -0.572 0.000 0.251 134 T C 1.454 175.562 174.700 -0.987 0.000 1.002 134 T CA 0.636 62.515 62.100 -0.368 0.000 0.970 134 T CB 0.713 69.452 68.868 -0.215 0.000 1.091 134 T HN 0.283 nan 8.240 nan 0.000 0.495 135 G N 1.967 109.899 108.800 -1.447 0.000 2.159 135 G HA2 -0.259 3.358 3.960 -0.572 0.000 0.256 135 G HA3 -0.259 3.358 3.960 -0.572 0.000 0.256 135 G C -0.005 174.370 174.900 -0.875 0.000 0.977 135 G CA 0.299 44.194 45.100 -2.009 0.000 0.652 135 G HN 0.818 nan 8.290 nan 0.000 0.531 136 K N 0.880 120.942 120.400 -0.563 0.000 2.401 136 K HA 0.319 4.295 4.320 -0.572 0.000 0.278 136 K C 0.712 177.107 176.600 -0.341 0.000 1.018 136 K CA -0.497 55.590 56.287 -0.334 0.000 0.981 136 K CB 0.061 32.420 32.500 -0.234 0.000 0.933 136 K HN 0.295 nan 8.250 nan 0.000 0.477 137 I N 5.576 125.983 120.570 -0.272 0.000 2.421 137 I HA -0.099 3.727 4.170 -0.572 0.000 0.291 137 I C 1.186 177.171 176.117 -0.219 0.000 1.089 137 I CA -0.322 60.812 61.300 -0.277 0.000 1.354 137 I CB 0.407 38.285 38.000 -0.203 0.000 1.413 137 I HN 0.620 nan 8.210 nan 0.000 0.513 138 N N 7.125 125.651 118.700 -0.290 0.000 2.173 138 N HA 0.021 4.418 4.740 -0.572 0.000 0.184 138 N C -0.319 175.172 175.510 -0.032 0.000 1.025 138 N CA 1.050 53.993 53.050 -0.178 0.000 0.852 138 N CB 0.260 38.619 38.487 -0.213 0.000 0.998 138 N HN 0.662 nan 8.380 nan 0.000 0.427 139 W N -0.401 120.824 121.300 -0.125 0.000 3.296 139 W HA 0.587 4.903 4.660 -0.573 0.000 0.314 139 W C -1.306 175.138 176.519 -0.126 0.000 1.238 139 W CA -0.593 56.684 57.345 -0.114 0.000 1.193 139 W CB 0.729 30.121 29.460 -0.114 0.000 1.383 139 W HN -0.208 nan 8.180 nan 0.000 0.545 140 E N 2.175 122.511 120.200 0.226 0.000 2.265 140 E HA 0.466 4.472 4.350 -0.572 0.000 0.262 140 E C -1.371 175.279 176.600 0.083 0.000 0.889 140 E CA -0.546 55.927 56.400 0.122 0.000 0.789 140 E CB 2.435 32.171 29.700 0.060 0.000 1.221 140 E HN 0.513 nan 8.360 nan 0.000 0.414 141 V N 0.698 120.641 119.914 0.048 0.000 3.046 141 V HA 0.638 4.414 4.120 -0.572 0.000 0.316 141 V C -0.665 175.302 176.094 -0.213 0.000 1.104 141 V CA -0.831 61.412 62.300 -0.095 0.000 1.006 141 V CB 1.922 33.677 31.823 -0.112 0.000 1.058 141 V HN 0.638 nan 8.190 nan 0.000 0.440 142 E N 1.159 121.231 120.200 -0.214 0.000 2.174 142 E HA 0.515 4.521 4.350 -0.572 0.000 0.282 142 E C -0.014 176.547 176.600 -0.065 0.000 0.992 142 E CA -0.586 55.692 56.400 -0.203 0.000 0.803 142 E CB 2.086 31.681 29.700 -0.176 0.000 1.090 142 E HN 0.560 nan 8.360 nan 0.000 0.396 143 V N 1.240 121.138 119.914 -0.027 0.000 3.048 143 V HA 0.056 3.833 4.120 -0.572 0.000 0.241 143 V C 0.435 176.579 176.094 0.084 0.000 1.129 143 V CA 0.379 62.722 62.300 0.071 0.000 1.128 143 V CB 0.340 32.183 31.823 0.034 0.000 0.849 143 V HN 0.724 nan 8.190 nan 0.000 0.475 144 c N -0.198 118.442 118.600 0.068 0.000 3.044 144 c HA 0.739 4.965 4.570 -0.572 0.000 0.315 144 c C -0.920 173.209 174.090 0.064 0.000 1.320 144 c CA -0.737 55.634 56.329 0.071 0.000 1.582 144 c CB 1.838 44.394 42.510 0.077 0.000 2.039 144 c HN 0.443 nan 8.230 nan 0.000 0.466 145 D N 0.234 120.666 120.400 0.054 0.000 2.473 145 D HA 0.395 4.691 4.640 -0.572 0.000 0.253 145 D C -2.041 174.273 176.300 0.023 0.000 1.233 145 D CA -1.727 52.298 54.000 0.042 0.000 0.908 145 D CB 1.751 42.571 40.800 0.032 0.000 1.170 145 D HN 0.085 nan 8.370 nan 0.000 0.558 146 P HA -0.078 nan 4.420 nan 0.000 0.221 146 P C 0.664 177.941 177.300 -0.039 0.000 1.145 146 P CA 0.983 64.077 63.100 -0.011 0.000 0.795 146 P CB 0.294 31.998 31.700 0.006 0.000 0.775 147 K N -0.505 119.879 120.400 -0.026 0.000 2.439 147 K HA 0.011 3.987 4.320 -0.572 0.000 0.197 147 K C 1.119 177.680 176.600 -0.065 0.000 1.041 147 K CA 1.014 57.275 56.287 -0.044 0.000 0.970 147 K CB -0.137 32.347 32.500 -0.027 0.000 0.773 147 K HN 0.186 nan 8.250 nan 0.000 0.479 148 V N -3.525 116.357 119.914 -0.053 0.000 2.988 148 V HA 0.439 4.215 4.120 -0.572 0.000 0.356 148 V C 0.612 176.667 176.094 -0.064 0.000 1.380 148 V CA -0.097 62.171 62.300 -0.053 0.000 1.184 148 V CB -0.104 31.715 31.823 -0.007 0.000 1.204 148 V HN 0.272 nan 8.190 nan 0.000 0.530 149 G N 0.628 109.363 108.800 -0.109 0.000 2.249 149 G HA2 -0.274 3.343 3.960 -0.572 0.000 0.273 149 G HA3 -0.274 3.343 3.960 -0.572 0.000 0.273 149 G C 0.193 175.034 174.900 -0.098 0.000 1.036 149 G CA 0.706 45.709 45.100 -0.161 0.000 0.824 149 G HN 1.182 nan 8.290 nan 0.000 0.504 150 S N 0.150 115.828 115.700 -0.037 0.000 2.433 150 S HA 0.802 4.929 4.470 -0.572 0.000 0.310 150 S C 0.375 174.987 174.600 0.019 0.000 1.097 150 S CA 0.675 58.880 58.200 0.008 0.000 1.103 150 S CB 1.074 64.298 63.200 0.041 0.000 0.992 150 S HN 1.312 nan 8.310 nan 0.000 0.469 151 T N 2.539 117.109 114.554 0.026 0.000 2.865 151 T HA 0.667 4.674 4.350 -0.572 0.000 0.294 151 T C -0.794 173.949 174.700 0.073 0.000 1.119 151 T CA -0.936 61.192 62.100 0.047 0.000 1.007 151 T CB 0.759 69.640 68.868 0.022 0.000 1.225 151 T HN 0.461 nan 8.240 nan 0.000 0.515 152 L N 1.478 122.757 121.223 0.092 0.000 2.325 152 L HA 0.665 4.662 4.340 -0.572 0.000 0.278 152 L C 1.184 178.122 176.870 0.113 0.000 1.023 152 L CA -0.517 54.386 54.840 0.104 0.000 0.811 152 L CB 2.174 44.292 42.059 0.099 0.000 1.249 152 L HN 1.201 nan 8.230 nan 0.000 0.431 153 T N -2.509 112.118 114.554 0.122 0.000 3.151 153 T HA 0.049 4.055 4.350 -0.572 0.000 0.257 153 T C 0.257 175.032 174.700 0.125 0.000 0.872 153 T CA -0.371 61.810 62.100 0.134 0.000 0.873 153 T CB 0.107 69.050 68.868 0.125 0.000 1.272 153 T HN 0.565 nan 8.240 nan 0.000 0.543 154 Q N 1.741 121.607 119.800 0.109 0.000 2.396 154 Q HA 0.741 4.737 4.340 -0.572 0.000 0.221 154 Q C 0.052 176.074 176.000 0.036 0.000 1.025 154 Q CA -0.648 55.158 55.803 0.005 0.000 0.946 154 Q CB 0.732 29.456 28.738 -0.023 0.000 1.224 154 Q HN 0.401 nan 8.270 nan 0.000 0.539 155 A N 1.628 124.454 122.820 0.011 0.000 2.340 155 A HA 0.510 4.487 4.320 -0.572 0.000 0.268 155 A C -2.245 175.457 177.584 0.198 0.000 1.100 155 A CA -1.522 50.596 52.037 0.135 0.000 0.803 155 A CB -0.140 19.028 19.000 0.280 0.000 1.043 155 A HN 0.664 nan 8.150 nan 0.000 0.488 156 P HA 0.380 nan 4.420 nan 0.000 0.273 156 P C -0.924 176.476 177.300 0.165 0.000 1.250 156 P CA 0.023 63.189 63.100 0.111 0.000 0.793 156 P CB 0.343 32.061 31.700 0.029 0.000 1.011 157 F N 0.710 120.586 119.950 -0.124 0.000 2.540 157 F HA 0.567 4.750 4.527 -0.573 0.000 0.317 157 F C -1.372 174.317 175.800 -0.186 0.000 1.104 157 F CA -0.696 57.213 58.000 -0.152 0.000 0.913 157 F CB 1.444 40.190 39.000 -0.424 0.000 1.170 157 F HN -0.049 nan 8.300 nan 0.000 0.450 158 V N 4.318 123.904 119.914 -0.546 0.000 2.656 158 V HA 0.906 4.682 4.120 -0.572 0.000 0.307 158 V C -0.908 174.976 176.094 -0.349 0.000 1.051 158 V CA -0.612 61.490 62.300 -0.329 0.000 0.893 158 V CB 1.502 33.196 31.823 -0.215 0.000 0.999 158 V HN 1.010 nan 8.190 nan 0.000 0.426 159 A N 4.173 126.838 122.820 -0.259 0.000 2.465 159 A HA 0.775 4.752 4.320 -0.572 0.000 0.292 159 A C -0.225 177.216 177.584 -0.238 0.000 1.041 159 A CA -0.506 51.337 52.037 -0.323 0.000 0.718 159 A CB 1.239 19.780 19.000 -0.765 0.000 1.266 159 A HN 0.802 nan 8.150 nan 0.000 0.403 160 K N 0.180 120.505 120.400 -0.125 0.000 1.844 160 K HA -0.206 3.770 4.320 -0.572 0.000 0.160 160 K C -0.620 175.940 176.600 -0.067 0.000 1.448 160 K CA 1.901 58.154 56.287 -0.057 0.000 0.446 160 K CB -0.694 31.784 32.500 -0.037 0.000 0.635 160 K HN 0.717 nan 8.250 nan 0.000 0.848 161 D N 0.896 121.256 120.400 -0.067 0.000 2.587 161 D HA 0.184 4.481 4.640 -0.572 0.000 0.233 161 D C -0.768 175.469 176.300 -0.104 0.000 1.213 161 D CA 0.364 54.321 54.000 -0.072 0.000 0.827 161 D CB 0.540 41.306 40.800 -0.056 0.000 1.006 161 D HN 0.204 nan 8.370 nan 0.000 0.490 162 T N 0.042 114.515 114.554 -0.136 0.000 2.861 162 T HA 0.463 4.470 4.350 -0.572 0.000 0.287 162 T C -0.727 173.859 174.700 -0.189 0.000 1.003 162 T CA -0.750 61.237 62.100 -0.189 0.000 0.977 162 T CB 2.623 71.348 68.868 -0.238 0.000 0.996 162 T HN -0.098 nan 8.240 nan 0.000 0.448 163 V N 5.163 124.983 119.914 -0.157 0.000 2.448 163 V HA 0.694 4.470 4.120 -0.572 0.000 0.295 163 V C -1.247 174.750 176.094 -0.161 0.000 1.025 163 V CA -0.816 61.421 62.300 -0.105 0.000 0.859 163 V CB 0.847 32.678 31.823 0.013 0.000 0.988 163 V HN 0.786 nan 8.190 nan 0.000 0.431 164 L N 7.410 128.471 121.223 -0.269 0.000 2.295 164 L HA 0.679 4.676 4.340 -0.572 0.000 0.285 164 L C -0.091 176.677 176.870 -0.171 0.000 1.035 164 L CA -0.354 54.243 54.840 -0.406 0.000 0.806 164 L CB 1.715 43.257 42.059 -0.862 0.000 1.214 164 L HN 0.516 nan 8.230 nan 0.000 0.426 165 M N 2.185 121.772 119.600 -0.022 0.000 2.378 165 M HA 0.515 4.652 4.480 -0.572 0.000 0.289 165 M C -0.451 175.916 176.300 0.111 0.000 1.136 165 M CA -0.320 55.046 55.300 0.109 0.000 0.917 165 M CB 2.470 35.157 32.600 0.145 0.000 1.669 165 M HN 0.671 nan 8.290 nan 0.000 0.461 166 G N 1.643 110.530 108.800 0.144 0.000 2.617 166 G HA2 0.611 4.227 3.960 -0.572 0.000 0.306 166 G HA3 0.611 4.227 3.960 -0.572 0.000 0.306 166 G C -0.929 174.056 174.900 0.141 0.000 1.360 166 G CA -0.338 44.830 45.100 0.114 0.000 0.983 166 G HN 0.816 nan 8.290 nan 0.000 0.496 167 c N 0.562 119.240 118.600 0.130 0.000 2.595 167 c HA 0.713 4.940 4.570 -0.572 0.000 0.384 167 c C 1.071 175.264 174.090 0.172 0.000 1.289 167 c CA -0.281 56.127 56.329 0.133 0.000 2.372 167 c CB 0.872 43.447 42.510 0.108 0.000 2.593 167 c HN 0.682 nan 8.230 nan 0.000 0.639 168 S N -0.321 115.458 115.700 0.131 0.000 2.638 168 S HA 0.780 4.907 4.470 -0.572 0.000 0.298 168 S C 0.676 175.304 174.600 0.047 0.000 1.111 168 S CA 0.378 58.634 58.200 0.093 0.000 1.027 168 S CB 1.602 64.797 63.200 -0.007 0.000 1.064 168 S HN 1.308 nan 8.310 nan 0.000 0.525 169 G N -0.241 108.572 108.800 0.023 0.000 2.789 169 G HA2 0.057 3.674 3.960 -0.572 0.000 0.218 169 G HA3 0.057 3.674 3.960 -0.572 0.000 0.218 169 G C 0.689 175.641 174.900 0.086 0.000 0.980 169 G CA 0.276 45.385 45.100 0.014 0.000 0.848 169 G HN 0.833 nan 8.290 nan 0.000 0.591 170 A N 0.458 123.374 122.820 0.160 0.000 2.024 170 A HA 0.108 4.085 4.320 -0.572 0.000 0.220 170 A C 1.926 179.667 177.584 0.261 0.000 1.164 170 A CA 2.268 54.454 52.037 0.248 0.000 0.643 170 A CB -0.196 18.998 19.000 0.324 0.000 0.806 170 A HN 0.343 nan 8.150 nan 0.000 0.451 171 E N -0.458 119.865 120.200 0.205 0.000 2.478 171 E HA 0.002 4.008 4.350 -0.572 0.000 0.198 171 E C 0.920 177.621 176.600 0.168 0.000 1.046 171 E CA 0.385 56.896 56.400 0.185 0.000 0.870 171 E CB 0.024 29.816 29.700 0.154 0.000 0.818 171 E HN 0.473 nan 8.360 nan 0.000 0.527 172 L N -1.123 120.146 121.223 0.077 0.000 2.857 172 L HA 0.355 4.352 4.340 -0.572 0.000 0.249 172 L C 0.885 177.879 176.870 0.207 0.000 1.172 172 L CA 0.495 55.326 54.840 -0.015 0.000 0.980 172 L CB -0.492 41.397 42.059 -0.284 0.000 1.299 172 L HN 0.186 nan 8.230 nan 0.000 0.535 173 G N 1.211 110.222 108.800 0.351 0.000 2.246 173 G HA2 -0.237 3.379 3.960 -0.572 0.000 0.273 173 G HA3 -0.237 3.379 3.960 -0.572 0.000 0.273 173 G C 0.153 175.169 174.900 0.195 0.000 1.055 173 G CA 0.233 45.568 45.100 0.393 0.000 0.851 173 G HN 0.149 nan 8.290 nan 0.000 0.500 174 V N 0.168 120.186 119.914 0.173 0.000 2.546 174 V HA 0.417 4.193 4.120 -0.572 0.000 0.284 174 V C 1.140 177.339 176.094 0.175 0.000 1.050 174 V CA -0.439 61.945 62.300 0.140 0.000 0.981 174 V CB 1.583 33.477 31.823 0.118 0.000 0.990 174 V HN 0.514 nan 8.190 nan 0.000 0.474 175 R N 3.514 124.116 120.500 0.169 0.000 2.220 175 R HA 0.438 4.435 4.340 -0.572 0.000 0.340 175 R C 0.496 176.986 176.300 0.316 0.000 1.076 175 R CA -0.231 56.009 56.100 0.235 0.000 0.920 175 R CB 0.401 30.817 30.300 0.193 0.000 1.062 175 R HN 0.933 nan 8.270 nan 0.000 0.469 176 G N 2.414 111.400 108.800 0.310 0.000 2.414 176 G HA2 0.382 3.998 3.960 -0.572 0.000 0.236 176 G HA3 0.382 3.998 3.960 -0.572 0.000 0.236 176 G C -0.838 174.199 174.900 0.228 0.000 1.293 176 G CA 0.127 45.392 45.100 0.275 0.000 0.869 176 G HN 0.786 nan 8.290 nan 0.000 0.556 177 A N 0.908 123.759 122.820 0.052 0.000 2.589 177 A HA 0.603 4.579 4.320 -0.572 0.000 0.296 177 A C -0.877 176.635 177.584 -0.119 0.000 1.062 177 A CA -0.425 51.506 52.037 -0.178 0.000 0.686 177 A CB 1.791 20.374 19.000 -0.694 0.000 1.282 177 A HN 1.901 nan 8.150 nan 0.000 0.404 178 V N 1.953 121.784 119.914 -0.138 0.000 2.370 178 V HA 0.523 4.300 4.120 -0.572 0.000 0.279 178 V C -0.557 175.432 176.094 -0.176 0.000 1.029 178 V CA -0.496 61.725 62.300 -0.133 0.000 0.870 178 V CB 0.674 32.373 31.823 -0.206 0.000 0.984 178 V HN 0.857 nan 8.190 nan 0.000 0.451 179 N N 5.402 123.957 118.700 -0.241 0.000 2.430 179 N HA 0.758 5.155 4.740 -0.572 0.000 0.292 179 N C -0.626 174.458 175.510 -0.711 0.000 1.051 179 N CA -0.163 52.614 53.050 -0.454 0.000 0.917 179 N CB 1.854 40.196 38.487 -0.242 0.000 1.164 179 N HN 0.928 nan 8.380 nan 0.000 0.484 180 A N 2.059 124.146 122.820 -1.222 0.000 2.304 180 A HA 0.719 4.696 4.320 -0.572 0.000 0.314 180 A C -1.280 175.582 177.584 -1.204 0.000 1.187 180 A CA -0.514 50.751 52.037 -1.286 0.000 0.810 180 A CB 0.065 17.797 19.000 -2.114 0.000 1.183 180 A HN 0.575 nan 8.150 nan 0.000 0.487 181 F N 0.488 120.132 119.950 -0.511 0.000 2.579 181 F HA 0.389 4.573 4.527 -0.573 0.000 0.324 181 F C 0.358 175.922 175.800 -0.394 0.000 1.058 181 F CA -0.858 56.881 58.000 -0.436 0.000 0.944 181 F CB 1.396 40.159 39.000 -0.396 0.000 1.245 181 F HN 0.532 nan 8.300 nan 0.000 0.477 182 D N 2.175 122.437 120.400 -0.229 0.000 2.343 182 D HA 0.061 4.358 4.640 -0.572 0.000 0.255 182 D C 1.147 177.317 176.300 -0.218 0.000 1.187 182 D CA 0.273 54.133 54.000 -0.233 0.000 0.875 182 D CB 1.098 41.746 40.800 -0.254 0.000 1.136 182 D HN 0.590 nan 8.370 nan 0.000 0.469 183 L N 4.190 125.373 121.223 -0.067 0.000 2.013 183 L HA -0.249 3.747 4.340 -0.572 0.000 0.212 183 L C 1.999 179.003 176.870 0.222 0.000 1.073 183 L CA 1.564 56.465 54.840 0.102 0.000 0.753 183 L CB 0.012 42.075 42.059 0.008 0.000 0.890 183 L HN 0.388 nan 8.230 nan 0.000 0.432 184 K N -1.221 119.205 120.400 0.042 0.000 2.148 184 K HA -0.122 3.854 4.320 -0.572 0.000 0.204 184 K C 1.639 178.230 176.600 -0.016 0.000 1.050 184 K CA 1.856 58.178 56.287 0.058 0.000 0.942 184 K CB 0.025 32.517 32.500 -0.013 0.000 0.724 184 K HN 0.522 nan 8.250 nan 0.000 0.446 185 T N -5.472 108.857 114.554 -0.375 0.000 3.041 185 T HA 0.224 4.230 4.350 -0.572 0.000 0.276 185 T C 1.171 175.127 174.700 -1.239 0.000 0.948 185 T CA 0.319 62.074 62.100 -0.576 0.000 0.885 185 T CB 0.913 69.610 68.868 -0.286 0.000 1.175 185 T HN 0.201 nan 8.240 nan 0.000 0.529 186 G N 2.047 109.805 108.800 -1.736 0.000 2.153 186 G HA2 -0.281 3.335 3.960 -0.572 0.000 0.252 186 G HA3 -0.281 3.335 3.960 -0.572 0.000 0.252 186 G C -0.177 174.326 174.900 -0.663 0.000 0.994 186 G CA 0.462 44.436 45.100 -1.877 0.000 0.698 186 G HN 1.049 nan 8.290 nan 0.000 0.521 187 E N 0.019 119.964 120.200 -0.425 0.000 2.331 187 E HA 0.505 4.511 4.350 -0.572 0.000 0.272 187 E C 0.547 177.041 176.600 -0.176 0.000 1.036 187 E CA -1.034 55.241 56.400 -0.208 0.000 0.864 187 E CB 0.704 30.287 29.700 -0.194 0.000 1.035 187 E HN 0.394 nan 8.360 nan 0.000 0.408 188 L N 4.509 125.630 121.223 -0.170 0.000 2.453 188 L HA 0.069 4.066 4.340 -0.572 0.000 0.272 188 L C 0.608 177.249 176.870 -0.382 0.000 1.182 188 L CA 0.681 55.255 54.840 -0.443 0.000 0.858 188 L CB 0.591 42.398 42.059 -0.420 0.000 1.120 188 L HN 0.707 nan 8.230 nan 0.000 0.474 189 K N 5.125 125.195 120.400 -0.550 0.000 2.172 189 K HA 0.215 4.192 4.320 -0.572 0.000 0.203 189 K C -0.779 175.685 176.600 -0.228 0.000 1.040 189 K CA 1.014 57.055 56.287 -0.409 0.000 0.974 189 K CB 0.267 32.436 32.500 -0.552 0.000 0.857 189 K HN 0.768 nan 8.250 nan 0.000 0.464 190 W N -0.416 120.712 121.300 -0.286 0.000 3.057 190 W HA 0.461 4.778 4.660 -0.573 0.000 0.328 190 W C -1.895 174.440 176.519 -0.306 0.000 1.232 190 W CA -0.936 56.269 57.345 -0.233 0.000 1.187 190 W CB 0.780 30.140 29.460 -0.166 0.000 1.417 190 W HN -0.246 nan 8.180 nan 0.000 0.569 191 R N 1.281 121.899 120.500 0.197 0.000 2.574 191 R HA 0.665 4.662 4.340 -0.572 0.000 0.288 191 R C -1.473 174.831 176.300 0.007 0.000 1.004 191 R CA -0.393 55.679 56.100 -0.047 0.000 0.895 191 R CB 2.032 32.188 30.300 -0.239 0.000 1.191 191 R HN 0.666 nan 8.270 nan 0.000 0.444 192 A N 5.078 127.865 122.820 -0.055 0.000 2.323 192 A HA 0.493 4.470 4.320 -0.572 0.000 0.305 192 A C -1.064 176.417 177.584 -0.170 0.000 1.275 192 A CA -0.582 51.394 52.037 -0.100 0.000 0.804 192 A CB 0.188 19.103 19.000 -0.142 0.000 1.152 192 A HN 0.570 nan 8.150 nan 0.000 0.487 193 F N 1.201 121.144 119.950 -0.013 0.000 2.403 193 F HA 0.423 4.607 4.527 -0.573 0.000 0.320 193 F C 1.576 177.408 175.800 0.054 0.000 1.176 193 F CA 0.636 58.667 58.000 0.051 0.000 1.206 193 F CB 1.054 40.110 39.000 0.093 0.000 1.235 193 F HN 0.588 nan 8.300 nan 0.000 0.565 194 A N -0.158 122.903 122.820 0.401 0.000 2.147 194 A HA 0.213 4.190 4.320 -0.572 0.000 0.211 194 A C 0.753 178.662 177.584 0.541 0.000 1.160 194 A CA 1.012 53.332 52.037 0.472 0.000 0.781 194 A CB -0.533 18.758 19.000 0.485 0.000 0.842 194 A HN 0.736 nan 8.150 nan 0.000 0.475 195 T N -5.057 109.757 114.554 0.433 0.000 2.838 195 T HA 0.659 4.666 4.350 -0.572 0.000 0.292 195 T C 0.215 174.954 174.700 0.065 0.000 1.113 195 T CA 0.191 62.485 62.100 0.323 0.000 1.008 195 T CB 1.403 70.425 68.868 0.257 0.000 1.259 195 T HN 1.986 nan 8.240 nan 0.000 0.520 196 G N 1.104 109.676 108.800 -0.380 0.000 2.500 196 G HA2 0.223 3.840 3.960 -0.572 0.000 0.209 196 G HA3 0.223 3.840 3.960 -0.572 0.000 0.209 196 G C -0.057 174.514 174.900 -0.548 0.000 1.283 196 G CA -0.043 44.464 45.100 -0.989 0.000 0.960 196 G HN 2.081 nan 8.290 nan 0.000 0.528 197 S N -0.166 115.263 115.700 -0.452 0.000 2.584 197 S HA 0.407 4.533 4.470 -0.572 0.000 0.270 197 S C 0.960 175.514 174.600 -0.078 0.000 1.346 197 S CA 0.835 58.907 58.200 -0.213 0.000 1.018 197 S CB 1.342 64.444 63.200 -0.163 0.000 0.899 197 S HN 0.593 nan 8.310 nan 0.000 0.542 198 D N 1.316 121.711 120.400 -0.009 0.000 2.182 198 D HA -0.088 4.209 4.640 -0.572 0.000 0.201 198 D C 1.205 177.492 176.300 -0.022 0.000 0.986 198 D CA 1.659 55.674 54.000 0.024 0.000 0.847 198 D CB -0.479 40.396 40.800 0.124 0.000 0.942 198 D HN 0.712 nan 8.370 nan 0.000 0.467 199 D N -0.512 119.875 120.400 -0.022 0.000 2.117 199 D HA -0.101 4.195 4.640 -0.572 0.000 0.198 199 D C 2.189 178.489 176.300 -0.000 0.000 0.982 199 D CA 1.573 55.560 54.000 -0.021 0.000 0.828 199 D CB -0.232 40.558 40.800 -0.016 0.000 0.967 199 D HN 0.186 nan 8.370 nan 0.000 0.464 200 S N -0.081 115.625 115.700 0.010 0.000 2.387 200 S HA -0.082 4.045 4.470 -0.572 0.000 0.226 200 S C 2.079 176.798 174.600 0.199 0.000 1.026 200 S CA 0.516 58.788 58.200 0.120 0.000 0.972 200 S CB -0.564 62.610 63.200 -0.043 0.000 0.814 200 S HN 0.104 nan 8.310 nan 0.000 0.477 201 V N 1.272 121.220 119.914 0.056 0.000 2.719 201 V HA 0.153 3.930 4.120 -0.572 0.000 0.252 201 V C 0.892 176.854 176.094 -0.220 0.000 1.065 201 V CA 0.568 62.848 62.300 -0.034 0.000 1.086 201 V CB -1.207 30.617 31.823 0.002 0.000 0.700 201 V HN 0.520 nan 8.190 nan 0.000 0.467 202 R N 0.280 120.670 120.500 -0.183 0.000 3.076 202 R HA -0.137 3.860 4.340 -0.572 0.000 0.261 202 R C -0.788 175.302 176.300 -0.348 0.000 0.930 202 R CA 0.163 56.110 56.100 -0.255 0.000 0.649 202 R CB -1.608 28.492 30.300 -0.333 0.000 1.350 202 R HN 0.401 nan 8.270 nan 0.000 0.453 203 L N 1.046 122.079 121.223 -0.316 0.000 2.307 203 L HA 0.613 4.610 4.340 -0.572 0.000 0.282 203 L C 1.177 177.992 176.870 -0.091 0.000 1.051 203 L CA -0.586 53.995 54.840 -0.432 0.000 0.804 203 L CB 1.601 43.253 42.059 -0.679 0.000 1.197 203 L HN 0.358 nan 8.230 nan 0.000 0.431 204 A N 2.985 125.795 122.820 -0.015 0.000 2.313 204 A HA 0.265 4.242 4.320 -0.572 0.000 0.261 204 A C 1.004 178.747 177.584 0.266 0.000 1.090 204 A CA -0.322 51.762 52.037 0.079 0.000 0.807 204 A CB 0.392 19.425 19.000 0.054 0.000 1.055 204 A HN 0.863 nan 8.150 nan 0.000 0.492 205 K N 0.271 120.790 120.400 0.198 0.000 2.362 205 K HA -0.098 3.879 4.320 -0.572 0.000 0.200 205 K C 0.260 177.080 176.600 0.366 0.000 1.046 205 K CA 1.446 57.885 56.287 0.252 0.000 0.952 205 K CB 0.020 32.562 32.500 0.071 0.000 0.753 205 K HN 0.863 nan 8.250 nan 0.000 0.466 206 D N 0.002 120.559 120.400 0.262 0.000 2.342 206 D HA -0.060 4.237 4.640 -0.572 0.000 0.221 206 D C 0.148 176.570 176.300 0.203 0.000 1.101 206 D CA -0.511 53.613 54.000 0.207 0.000 0.837 206 D CB -0.325 40.545 40.800 0.117 0.000 0.938 206 D HN -0.067 nan 8.370 nan 0.000 0.508 207 F N 3.103 123.095 119.950 0.070 0.000 2.549 207 F HA -0.064 4.119 4.527 -0.573 0.000 0.400 207 F C 0.920 176.648 175.800 -0.120 0.000 1.011 207 F CA 0.030 57.971 58.000 -0.098 0.000 1.148 207 F CB -0.168 38.637 39.000 -0.325 0.000 0.993 207 F HN -0.069 nan 8.300 nan 0.000 0.540 208 N N 1.999 120.333 118.700 -0.610 0.000 2.713 208 N HA -0.298 4.099 4.740 -0.572 0.000 0.251 208 N C 1.610 176.952 175.510 -0.280 0.000 1.117 208 N CA 1.177 53.903 53.050 -0.541 0.000 0.770 208 N CB -1.292 36.664 38.487 -0.884 0.000 1.137 208 N HN 0.746 nan 8.380 nan 0.000 0.566 209 S N -1.294 114.323 115.700 -0.138 0.000 2.407 209 S HA -0.138 3.988 4.470 -0.572 0.000 0.235 209 S C 1.871 176.416 174.600 -0.091 0.000 1.036 209 S CA 1.318 59.486 58.200 -0.055 0.000 1.013 209 S CB -0.228 62.980 63.200 0.013 0.000 0.820 209 S HN 0.514 nan 8.310 nan 0.000 0.476 210 A N 1.239 123.980 122.820 -0.133 0.000 2.169 210 A HA 0.267 4.244 4.320 -0.572 0.000 0.212 210 A C 1.087 178.533 177.584 -0.229 0.000 1.153 210 A CA 0.256 52.200 52.037 -0.155 0.000 0.756 210 A CB -0.074 18.828 19.000 -0.163 0.000 0.813 210 A HN 0.555 nan 8.150 nan 0.000 0.471 211 N N -0.364 118.134 118.700 -0.335 0.000 2.687 211 N HA 0.143 4.540 4.740 -0.572 0.000 0.275 211 N C -2.491 172.748 175.510 -0.452 0.000 1.789 211 N CA -0.833 51.879 53.050 -0.563 0.000 0.806 211 N CB 1.190 38.840 38.487 -1.395 0.000 1.256 211 N HN 0.135 nan 8.380 nan 0.000 0.500 212 P HA -0.184 nan 4.420 nan 0.000 0.220 212 P C 1.101 178.403 177.300 0.003 0.000 1.144 212 P CA 1.395 64.458 63.100 -0.061 0.000 0.800 212 P CB -0.081 31.619 31.700 0.000 0.000 0.772 213 H N -2.958 116.039 119.070 -0.122 0.000 2.559 213 H HA -0.030 4.182 4.556 -0.573 0.000 0.273 213 H C 1.356 176.752 175.328 0.113 0.000 1.000 213 H CA 0.499 56.536 56.048 -0.019 0.000 1.195 213 H CB -1.204 28.543 29.762 -0.024 0.000 1.368 213 H HN 0.119 nan 8.280 nan 0.000 0.592 214 Y N 1.780 121.858 120.300 -0.370 0.000 2.373 214 Y HA 0.249 4.456 4.550 -0.572 0.000 0.293 214 Y C 1.747 177.618 175.900 -0.049 0.000 1.129 214 Y CA 0.536 58.496 58.100 -0.233 0.000 1.226 214 Y CB -0.166 38.182 38.460 -0.187 0.000 1.000 214 Y HN 0.543 nan 8.280 nan 0.000 0.549 215 G N -0.634 108.257 108.800 0.152 0.000 2.459 215 G HA2 0.006 3.623 3.960 -0.572 0.000 0.685 215 G HA3 0.006 3.623 3.960 -0.572 0.000 0.685 215 G C -0.522 174.538 174.900 0.266 0.000 1.303 215 G CA -0.375 44.837 45.100 0.187 0.000 0.907 215 G HN 0.116 nan 8.290 nan 0.000 0.632 216 Q N -1.051 118.912 119.800 0.270 0.000 2.423 216 Q HA 0.528 4.525 4.340 -0.572 0.000 0.201 216 Q C -0.245 175.845 176.000 0.150 0.000 0.842 216 Q CA -0.503 55.362 55.803 0.104 0.000 0.507 216 Q CB 0.682 29.318 28.738 -0.169 0.000 3.343 216 Q HN 0.476 nan 8.270 nan 0.000 0.254 217 F N 0.505 120.662 119.950 0.345 0.000 2.396 217 F HA 0.448 4.632 4.527 -0.572 0.000 0.343 217 F C 1.260 177.168 175.800 0.179 0.000 1.104 217 F CA 0.600 58.738 58.000 0.231 0.000 1.161 217 F CB 1.095 40.182 39.000 0.146 0.000 1.146 217 F HN 0.704 nan 8.300 nan 0.000 0.522 218 G N 2.008 111.000 108.800 0.319 0.000 2.184 218 G HA2 -0.312 3.305 3.960 -0.572 0.000 0.264 218 G HA3 -0.312 3.305 3.960 -0.572 0.000 0.264 218 G C 0.900 175.875 174.900 0.125 0.000 0.975 218 G CA 0.446 45.652 45.100 0.176 0.000 0.642 218 G HN 0.663 nan 8.290 nan 0.000 0.536 219 L N 0.623 121.937 121.223 0.151 0.000 2.275 219 L HA 0.110 4.106 4.340 -0.572 0.000 0.215 219 L C 3.022 179.864 176.870 -0.047 0.000 1.119 219 L CA 1.197 56.019 54.840 -0.029 0.000 0.790 219 L CB -0.632 41.307 42.059 -0.201 0.000 0.919 219 L HN 0.328 nan 8.230 nan 0.000 0.443 220 G N -0.041 108.813 108.800 0.091 0.000 2.475 220 G HA2 -0.294 3.322 3.960 -0.572 0.000 0.220 220 G HA3 -0.294 3.322 3.960 -0.572 0.000 0.220 220 G C 1.641 176.557 174.900 0.028 0.000 1.125 220 G CA 1.674 46.853 45.100 0.133 0.000 0.755 220 G HN 0.490 nan 8.290 nan 0.000 0.565 221 T N -2.615 111.905 114.554 -0.056 0.000 3.019 221 T HA 0.191 4.198 4.350 -0.572 0.000 0.247 221 T C 2.037 176.814 174.700 0.127 0.000 0.992 221 T CA 0.403 62.437 62.100 -0.110 0.000 1.036 221 T CB -0.028 68.664 68.868 -0.293 0.000 1.063 221 T HN 0.230 nan 8.240 nan 0.000 0.476 222 K N 2.003 122.444 120.400 0.068 0.000 2.211 222 K HA -0.028 3.948 4.320 -0.572 0.000 0.203 222 K C 2.117 178.738 176.600 0.037 0.000 1.050 222 K CA 1.696 58.017 56.287 0.058 0.000 0.945 222 K CB -0.512 32.005 32.500 0.028 0.000 0.732 222 K HN 0.632 nan 8.250 nan 0.000 0.451 223 T N -2.053 112.497 114.554 -0.006 0.000 3.252 223 T HA 0.039 4.046 4.350 -0.572 0.000 0.250 223 T C -0.284 174.259 174.700 -0.261 0.000 1.123 223 T CA -0.441 61.548 62.100 -0.184 0.000 1.006 223 T CB -0.362 68.296 68.868 -0.350 0.000 0.992 223 T HN 0.128 nan 8.240 nan 0.000 0.547 224 W N 0.583 121.894 121.300 0.020 0.000 3.022 224 W HA 0.526 4.843 4.660 -0.572 0.000 0.335 224 W C -0.494 176.090 176.519 0.109 0.000 1.133 224 W CA -1.132 56.273 57.345 0.100 0.000 1.219 224 W CB 1.451 31.045 29.460 0.223 0.000 1.409 224 W HN -0.000 nan 8.180 nan 0.000 0.507 225 E N 2.135 122.553 120.200 0.364 0.000 2.089 225 E HA 0.478 4.484 4.350 -0.572 0.000 0.284 225 E C 0.876 177.618 176.600 0.236 0.000 1.023 225 E CA 0.682 57.221 56.400 0.231 0.000 0.819 225 E CB 0.259 30.051 29.700 0.152 0.000 1.076 225 E HN 0.683 nan 8.360 nan 0.000 0.396 226 G N 4.837 113.762 108.800 0.208 0.000 2.539 226 G HA2 -0.289 3.328 3.960 -0.572 0.000 0.256 226 G HA3 -0.289 3.328 3.960 -0.572 0.000 0.256 226 G C 0.089 175.105 174.900 0.193 0.000 1.233 226 G CA 0.054 45.249 45.100 0.159 0.000 0.936 226 G HN 0.682 nan 8.290 nan 0.000 0.571 227 D N 1.409 121.791 120.400 -0.030 0.000 2.352 227 D HA 0.429 4.726 4.640 -0.572 0.000 0.236 227 D C 2.098 178.028 176.300 -0.616 0.000 1.148 227 D CA 1.034 54.770 54.000 -0.440 0.000 0.844 227 D CB -0.170 40.385 40.800 -0.409 0.000 0.933 227 D HN 0.797 nan 8.370 nan 0.000 0.507 228 A N 0.947 123.637 122.820 -0.216 0.000 2.019 228 A HA -0.142 3.835 4.320 -0.572 0.000 0.219 228 A C 1.899 179.191 177.584 -0.486 0.000 1.164 228 A CA 0.582 52.539 52.037 -0.134 0.000 0.644 228 A CB -0.906 18.224 19.000 0.217 0.000 0.805 228 A HN 0.548 nan 8.150 nan 0.000 0.449 229 W N -0.017 120.778 121.300 -0.842 0.000 2.611 229 W HA 0.019 4.335 4.660 -0.573 0.000 0.251 229 W C 1.018 177.099 176.519 -0.731 0.000 1.265 229 W CA 0.824 57.235 57.345 -1.556 0.000 1.295 229 W CB -0.611 27.874 29.460 -1.625 0.000 1.129 229 W HN 0.258 nan 8.180 nan 0.000 0.630 230 K N 1.654 121.330 120.400 -1.206 0.000 2.283 230 K HA -0.086 3.890 4.320 -0.572 0.000 0.202 230 K C 1.361 177.653 176.600 -0.512 0.000 1.048 230 K CA 1.602 57.287 56.287 -1.003 0.000 0.948 230 K CB -0.211 31.656 32.500 -1.055 0.000 0.742 230 K HN 0.403 nan 8.250 nan 0.000 0.458 231 I N -4.668 115.622 120.570 -0.467 0.000 3.083 231 I HA 0.321 4.148 4.170 -0.572 0.000 0.336 231 I C 0.783 176.852 176.117 -0.080 0.000 1.497 231 I CA -0.541 60.568 61.300 -0.320 0.000 0.936 231 I CB 0.989 38.550 38.000 -0.731 0.000 1.671 231 I HN -0.177 nan 8.210 nan 0.000 0.535 232 G N 0.719 109.443 108.800 -0.128 0.000 2.744 232 G HA2 0.433 4.050 3.960 -0.572 0.000 0.211 232 G HA3 0.433 4.050 3.960 -0.572 0.000 0.211 232 G C 0.932 176.028 174.900 0.327 0.000 1.143 232 G CA 0.539 45.630 45.100 -0.016 0.000 0.788 232 G HN 0.911 nan 8.290 nan 0.000 0.534 233 G N -0.536 108.427 108.800 0.273 0.000 2.525 233 G HA2 0.310 3.927 3.960 -0.572 0.000 0.248 233 G HA3 0.310 3.927 3.960 -0.572 0.000 0.248 233 G C 1.018 176.133 174.900 0.359 0.000 1.238 233 G CA 0.886 46.183 45.100 0.328 0.000 0.926 233 G HN 1.911 nan 8.290 nan 0.000 0.574 234 G N -1.956 107.073 108.800 0.381 0.000 2.137 234 G HA2 0.191 3.807 3.960 -0.572 0.000 0.237 234 G HA3 0.191 3.807 3.960 -0.572 0.000 0.237 234 G C 0.884 176.013 174.900 0.380 0.000 1.002 234 G CA 1.522 46.859 45.100 0.395 0.000 0.702 234 G HN 2.772 nan 8.290 nan 0.000 0.515 235 T N -0.446 114.336 114.554 0.379 0.000 2.926 235 T HA 0.452 4.459 4.350 -0.572 0.000 0.307 235 T C 0.374 175.306 174.700 0.387 0.000 1.059 235 T CA 0.063 62.384 62.100 0.369 0.000 1.122 235 T CB 1.333 70.424 68.868 0.371 0.000 0.972 235 T HN 0.790 nan 8.240 nan 0.000 0.545 236 N N 3.376 122.242 118.700 0.277 0.000 2.546 236 N HA 0.105 4.502 4.740 -0.572 0.000 0.238 236 N C 0.122 175.678 175.510 0.077 0.000 0.984 236 N CA -1.039 52.082 53.050 0.118 0.000 0.935 236 N CB 0.743 39.298 38.487 0.112 0.000 1.122 236 N HN 1.041 nan 8.380 nan 0.000 0.510 237 W N 1.789 123.095 121.300 0.010 0.000 2.846 237 W HA 0.455 4.770 4.660 -0.574 0.000 0.391 237 W C -0.207 176.205 176.519 -0.179 0.000 1.011 237 W CA -0.720 56.597 57.345 -0.047 0.000 1.832 237 W CB -0.573 28.901 29.460 0.023 0.000 1.151 237 W HN 0.331 nan 8.180 nan 0.000 0.582 238 G N 1.415 109.840 108.800 -0.625 0.000 3.182 238 G HA2 0.421 4.038 3.960 -0.572 0.000 0.167 238 G HA3 0.421 4.038 3.960 -0.572 0.000 0.167 238 G C -1.486 172.949 174.900 -0.776 0.000 1.537 238 G CA -0.460 44.198 45.100 -0.737 0.000 1.046 238 G HN 0.134 nan 8.290 nan 0.000 0.580 239 W N -1.710 119.504 121.300 -0.144 0.000 2.719 239 W HA 0.699 5.016 4.660 -0.573 0.000 0.352 239 W C -1.161 175.254 176.519 -0.172 0.000 1.085 239 W CA -0.846 56.473 57.345 -0.044 0.000 1.187 239 W CB 1.060 30.597 29.460 0.128 0.000 1.417 239 W HN 0.327 nan 8.180 nan 0.000 0.557 240 Y N 0.733 121.170 120.300 0.228 0.000 2.602 240 Y HA 0.831 5.038 4.550 -0.572 0.000 0.330 240 Y C 0.385 176.267 175.900 -0.030 0.000 1.114 240 Y CA -1.456 56.584 58.100 -0.100 0.000 1.182 240 Y CB 1.516 39.480 38.460 -0.827 0.000 1.305 240 Y HN 0.486 nan 8.280 nan 0.000 0.502 241 A N 0.617 123.563 122.820 0.210 0.000 2.587 241 A HA 0.734 4.710 4.320 -0.572 0.000 0.293 241 A C -2.487 175.481 177.584 0.641 0.000 1.087 241 A CA -0.662 51.650 52.037 0.458 0.000 0.692 241 A CB 1.647 20.891 19.000 0.406 0.000 1.291 241 A HN 0.672 nan 8.150 nan 0.000 0.407 242 Y N 0.705 121.386 120.300 0.636 0.000 2.513 242 Y HA 0.591 4.798 4.550 -0.573 0.000 0.340 242 Y C -1.773 174.458 175.900 0.552 0.000 1.055 242 Y CA -1.031 57.409 58.100 0.567 0.000 1.020 242 Y CB 2.079 40.899 38.460 0.601 0.000 1.301 242 Y HN 0.639 nan 8.280 nan 0.000 0.453 243 D N 7.287 127.598 120.400 -0.149 0.000 2.461 243 D HA 0.368 4.664 4.640 -0.572 0.000 0.240 243 D C -2.301 173.584 176.300 -0.692 0.000 1.094 243 D CA -2.331 51.579 54.000 -0.150 0.000 0.868 243 D CB 2.271 43.136 40.800 0.109 0.000 1.062 243 D HN 0.332 nan 8.370 nan 0.000 0.530 244 P HA -0.115 nan 4.420 nan 0.000 0.216 244 P C 1.405 178.598 177.300 -0.179 0.000 1.150 244 P CA 0.896 63.687 63.100 -0.515 0.000 0.837 244 P CB 0.585 32.132 31.700 -0.255 0.000 0.786 245 K N -0.433 119.921 120.400 -0.077 0.000 1.969 245 K HA -0.144 3.833 4.320 -0.572 0.000 0.216 245 K C 1.815 178.411 176.600 -0.005 0.000 1.048 245 K CA 1.471 57.755 56.287 -0.004 0.000 0.948 245 K CB -0.814 31.710 32.500 0.039 0.000 0.726 245 K HN -0.023 nan 8.250 nan 0.000 0.442 246 L N 1.548 122.771 121.223 -0.000 0.000 2.265 246 L HA -0.110 3.886 4.340 -0.572 0.000 0.215 246 L C 1.001 177.878 176.870 0.012 0.000 1.117 246 L CA 1.328 56.183 54.840 0.026 0.000 0.782 246 L CB -1.334 40.772 42.059 0.079 0.000 0.914 246 L HN 0.498 nan 8.230 nan 0.000 0.441 247 N N -0.466 118.209 118.700 -0.041 0.000 2.776 247 N HA -0.224 4.173 4.740 -0.572 0.000 0.250 247 N C -0.405 175.203 175.510 0.163 0.000 1.112 247 N CA 0.036 53.135 53.050 0.081 0.000 0.733 247 N CB -0.838 37.722 38.487 0.122 0.000 1.097 247 N HN 0.248 nan 8.380 nan 0.000 0.558 248 L N 1.394 122.635 121.223 0.030 0.000 2.325 248 L HA 0.635 4.631 4.340 -0.572 0.000 0.278 248 L C 0.104 176.922 176.870 -0.085 0.000 1.023 248 L CA -1.053 53.703 54.840 -0.139 0.000 0.811 248 L CB 1.095 42.958 42.059 -0.327 0.000 1.249 248 L HN 0.122 nan 8.230 nan 0.000 0.431 249 F N 0.537 120.330 119.950 -0.262 0.000 2.546 249 F HA 0.740 4.923 4.527 -0.573 0.000 0.320 249 F C -1.340 174.214 175.800 -0.410 0.000 1.076 249 F CA -1.067 56.883 58.000 -0.083 0.000 0.928 249 F CB 0.973 40.041 39.000 0.113 0.000 1.189 249 F HN 0.157 nan 8.300 nan 0.000 0.465 250 Y N 2.262 122.731 120.300 0.281 0.000 2.524 250 Y HA 0.713 4.920 4.550 -0.572 0.000 0.344 250 Y C -0.769 175.335 175.900 0.339 0.000 1.012 250 Y CA -1.381 56.783 58.100 0.107 0.000 1.068 250 Y CB 1.857 40.329 38.460 0.020 0.000 1.249 250 Y HN 0.780 nan 8.280 nan 0.000 0.468 251 Y N -1.739 118.668 120.300 0.177 0.000 2.732 251 Y HA 0.741 4.947 4.550 -0.573 0.000 0.342 251 Y C -0.935 175.015 175.900 0.083 0.000 1.203 251 Y CA -2.033 56.112 58.100 0.075 0.000 1.092 251 Y CB 0.660 39.140 38.460 0.033 0.000 1.345 251 Y HN 0.804 nan 8.280 nan 0.000 0.458 252 G N 0.937 109.754 108.800 0.029 0.000 2.389 252 G HA2 0.542 4.158 3.960 -0.572 0.000 0.328 252 G HA3 0.542 4.158 3.960 -0.572 0.000 0.328 252 G C -0.966 174.045 174.900 0.185 0.000 1.133 252 G CA -0.499 44.589 45.100 -0.020 0.000 0.891 252 G HN 1.125 nan 8.290 nan 0.000 0.485 253 S N 0.623 116.460 115.700 0.229 0.000 2.608 253 S HA 0.791 4.918 4.470 -0.572 0.000 0.291 253 S C 0.773 175.529 174.600 0.261 0.000 1.146 253 S CA -0.091 58.331 58.200 0.369 0.000 1.043 253 S CB 1.692 65.242 63.200 0.583 0.000 1.037 253 S HN 0.952 nan 8.310 nan 0.000 0.520 254 G N 1.498 110.474 108.800 0.293 0.000 2.485 254 G HA2 0.259 3.876 3.960 -0.572 0.000 0.260 254 G HA3 0.259 3.876 3.960 -0.572 0.000 0.260 254 G C 0.016 175.109 174.900 0.322 0.000 1.459 254 G CA -0.897 44.398 45.100 0.326 0.000 1.060 254 G HN 0.973 nan 8.290 nan 0.000 0.546 255 N N 1.048 119.956 118.700 0.348 0.000 2.530 255 N HA 0.268 4.665 4.740 -0.572 0.000 0.277 255 N C -2.760 172.921 175.510 0.285 0.000 1.168 255 N CA -1.150 52.062 53.050 0.270 0.000 0.979 255 N CB 1.861 40.488 38.487 0.234 0.000 1.141 255 N HN 0.180 nan 8.380 nan 0.000 0.459 256 P HA 0.213 nan 4.420 nan 0.000 0.276 256 P C -1.102 176.367 177.300 0.281 0.000 1.244 256 P CA -0.386 62.901 63.100 0.311 0.000 0.801 256 P CB 0.920 32.722 31.700 0.170 0.000 1.006 257 A N 2.616 125.630 122.820 0.323 0.000 2.340 257 A HA 0.764 4.740 4.320 -0.572 0.000 0.331 257 A C -2.380 175.235 177.584 0.053 0.000 1.140 257 A CA -1.949 50.216 52.037 0.213 0.000 0.801 257 A CB 0.667 19.869 19.000 0.337 0.000 1.234 257 A HN 0.400 nan 8.150 nan 0.000 0.469 258 P HA 0.135 nan 4.420 nan 0.000 0.293 258 P C 0.062 177.356 177.300 -0.010 0.000 1.304 258 P CA -0.326 62.462 63.100 -0.520 0.000 0.767 258 P CB 0.430 31.466 31.700 -1.107 0.000 1.247 259 W N -1.142 120.048 121.300 -0.182 0.000 2.465 259 W HA 0.005 4.322 4.660 -0.572 0.000 0.268 259 W C 1.138 177.676 176.519 0.030 0.000 1.242 259 W CA 0.528 57.883 57.345 0.016 0.000 1.248 259 W CB -1.759 27.753 29.460 0.087 0.000 1.118 259 W HN 0.279 nan 8.180 nan 0.000 0.587 260 N N 2.156 120.910 118.700 0.091 0.000 2.410 260 N HA -0.080 4.316 4.740 -0.572 0.000 0.281 260 N C 1.300 176.804 175.510 -0.010 0.000 1.241 260 N CA 0.704 53.771 53.050 0.029 0.000 0.998 260 N CB 0.549 38.967 38.487 -0.116 0.000 1.376 260 N HN 0.310 nan 8.380 nan 0.000 0.490 261 E N 1.958 122.135 120.200 -0.039 0.000 2.130 261 E HA -0.197 3.809 4.350 -0.572 0.000 0.196 261 E C 0.920 177.550 176.600 0.051 0.000 0.998 261 E CA 2.024 58.352 56.400 -0.121 0.000 0.806 261 E CB -0.663 28.883 29.700 -0.256 0.000 0.738 261 E HN 0.447 nan 8.360 nan 0.000 0.459 262 T N 0.330 114.917 114.554 0.054 0.000 3.051 262 T HA 0.021 4.028 4.350 -0.572 0.000 0.269 262 T C 1.363 176.102 174.700 0.065 0.000 1.127 262 T CA 1.319 63.458 62.100 0.064 0.000 1.107 262 T CB -0.194 68.708 68.868 0.057 0.000 0.898 262 T HN 0.247 nan 8.240 nan 0.000 0.517 263 M N 1.041 120.676 119.600 0.059 0.000 2.495 263 M HA 0.156 4.293 4.480 -0.572 0.000 0.237 263 M C 0.668 177.037 176.300 0.116 0.000 1.131 263 M CA 0.524 55.868 55.300 0.073 0.000 1.032 263 M CB 0.272 32.895 32.600 0.039 0.000 1.513 263 M HN 0.177 nan 8.290 nan 0.000 0.488 264 R N 0.025 120.605 120.500 0.135 0.000 2.684 264 R HA 0.367 4.364 4.340 -0.572 0.000 0.252 264 R C -3.086 173.310 176.300 0.161 0.000 1.628 264 R CA -1.397 54.816 56.100 0.189 0.000 1.622 264 R CB -0.390 30.054 30.300 0.240 0.000 1.418 264 R HN -0.133 nan 8.270 nan 0.000 0.697 265 P HA 0.170 nan 4.420 nan 0.000 0.269 265 P C 0.453 177.676 177.300 -0.128 0.000 1.211 265 P CA 1.111 64.153 63.100 -0.097 0.000 0.781 265 P CB 0.810 32.469 31.700 -0.068 0.000 0.877 266 G N 1.320 109.957 108.800 -0.273 0.000 2.479 266 G HA2 -0.127 3.490 3.960 -0.572 0.000 0.686 266 G HA3 -0.127 3.490 3.960 -0.572 0.000 0.686 266 G C -0.073 174.652 174.900 -0.293 0.000 1.295 266 G CA -0.287 44.653 45.100 -0.267 0.000 0.922 266 G HN 0.361 nan 8.290 nan 0.000 0.582 267 D N 0.562 120.758 120.400 -0.341 0.000 2.347 267 D HA 0.064 4.360 4.640 -0.572 0.000 0.215 267 D C 1.379 177.405 176.300 -0.455 0.000 0.976 267 D CA 0.926 54.733 54.000 -0.322 0.000 0.884 267 D CB -0.092 40.516 40.800 -0.319 0.000 0.915 267 D HN 0.536 nan 8.370 nan 0.000 0.526 268 N N 0.845 119.063 118.700 -0.802 0.000 2.740 268 N HA -0.203 4.194 4.740 -0.572 0.000 0.248 268 N C -0.487 174.665 175.510 -0.596 0.000 1.062 268 N CA 0.607 52.857 53.050 -1.333 0.000 0.704 268 N CB -1.181 36.726 38.487 -0.966 0.000 0.968 268 N HN 0.384 nan 8.380 nan 0.000 0.547 269 K N -0.761 119.348 120.400 -0.485 0.000 2.295 269 K HA 0.084 4.061 4.320 -0.572 0.000 0.270 269 K C 0.373 177.094 176.600 0.201 0.000 1.011 269 K CA 0.030 56.100 56.287 -0.361 0.000 0.953 269 K CB 0.441 32.330 32.500 -1.019 0.000 0.956 269 K HN 0.217 nan 8.250 nan 0.000 0.477 270 W N 2.208 123.719 121.300 0.353 0.000 2.637 270 W HA 0.062 4.378 4.660 -0.573 0.000 0.420 270 W C 0.518 177.194 176.519 0.261 0.000 0.766 270 W CA -0.498 56.989 57.345 0.238 0.000 2.499 270 W CB 0.206 29.888 29.460 0.370 0.000 1.395 270 W HN 0.553 nan 8.180 nan 0.000 0.802 271 T N -2.574 112.205 114.554 0.375 0.000 2.788 271 T HA 0.172 4.178 4.350 -0.572 0.000 0.287 271 T C 1.150 175.950 174.700 0.167 0.000 1.007 271 T CA -0.304 61.989 62.100 0.322 0.000 1.005 271 T CB 0.764 69.822 68.868 0.316 0.000 1.012 271 T HN 0.142 nan 8.240 nan 0.000 0.530 272 M N -0.172 119.522 119.600 0.157 0.000 2.253 272 M HA -0.151 3.986 4.480 -0.572 0.000 0.199 272 M C 0.305 176.567 176.300 -0.064 0.000 0.342 272 M CA 1.218 56.562 55.300 0.073 0.000 0.417 272 M CB -3.336 29.303 32.600 0.064 0.000 1.338 272 M HN 1.197 nan 8.290 nan 0.000 0.920 273 T N -1.640 112.848 114.554 -0.109 0.000 2.900 273 T HA 0.809 4.816 4.350 -0.572 0.000 0.295 273 T C -0.074 174.298 174.700 -0.546 0.000 1.044 273 T CA -0.932 60.941 62.100 -0.379 0.000 0.995 273 T CB 2.338 70.925 68.868 -0.467 0.000 1.072 273 T HN 0.258 nan 8.240 nan 0.000 0.473 274 I N 3.023 123.284 120.570 -0.514 0.000 2.371 274 I HA 0.402 4.228 4.170 -0.572 0.000 0.290 274 I C -0.549 175.166 176.117 -0.671 0.000 1.028 274 I CA -0.701 60.328 61.300 -0.452 0.000 1.345 274 I CB 0.665 38.544 38.000 -0.202 0.000 1.407 274 I HN 0.611 nan 8.210 nan 0.000 0.501 275 W N 3.715 124.606 121.300 -0.682 0.000 2.578 275 W HA 0.651 4.967 4.660 -0.572 0.000 0.346 275 W C 0.376 176.174 176.519 -1.202 0.000 1.075 275 W CA -0.795 55.995 57.345 -0.924 0.000 1.233 275 W CB 1.846 30.686 29.460 -1.032 0.000 1.358 275 W HN 0.458 nan 8.180 nan 0.000 0.574 276 G N 2.236 110.319 108.800 -1.196 0.000 3.164 276 G HA2 0.568 4.184 3.960 -0.572 0.000 0.312 276 G HA3 0.568 4.184 3.960 -0.572 0.000 0.312 276 G C -0.955 173.434 174.900 -0.853 0.000 1.530 276 G CA -0.837 43.443 45.100 -1.366 0.000 1.079 276 G HN 0.370 nan 8.290 nan 0.000 0.527 277 R N 1.369 121.310 120.500 -0.932 0.000 2.637 277 R HA 0.310 4.307 4.340 -0.572 0.000 0.291 277 R C -1.100 174.840 176.300 -0.600 0.000 0.963 277 R CA -0.948 54.678 56.100 -0.790 0.000 0.901 277 R CB 2.376 32.102 30.300 -0.957 0.000 1.160 277 R HN 0.553 nan 8.270 nan 0.000 0.457 278 D N 1.950 122.171 120.400 -0.297 0.000 2.450 278 D HA -0.061 4.236 4.640 -0.572 0.000 0.247 278 D C 1.075 177.459 176.300 0.140 0.000 1.162 278 D CA -0.250 53.704 54.000 -0.076 0.000 0.879 278 D CB 0.872 41.624 40.800 -0.080 0.000 1.163 278 D HN 0.368 nan 8.370 nan 0.000 0.472 279 L N 4.180 125.620 121.223 0.361 0.000 2.042 279 L HA -0.150 3.846 4.340 -0.572 0.000 0.210 279 L C 1.293 178.404 176.870 0.401 0.000 1.076 279 L CA 1.912 57.060 54.840 0.513 0.000 0.749 279 L CB -0.455 41.834 42.059 0.384 0.000 0.893 279 L HN 0.550 nan 8.230 nan 0.000 0.432 280 D N -1.223 119.328 120.400 0.252 0.000 2.123 280 D HA -0.119 4.178 4.640 -0.572 0.000 0.200 280 D C 2.049 178.502 176.300 0.255 0.000 0.976 280 D CA 2.016 56.151 54.000 0.226 0.000 0.831 280 D CB -0.177 40.693 40.800 0.116 0.000 0.974 280 D HN 0.578 nan 8.370 nan 0.000 0.469 281 T N -3.914 110.619 114.554 -0.036 0.000 3.014 281 T HA 0.344 4.351 4.350 -0.572 0.000 0.250 281 T C 1.717 175.679 174.700 -1.231 0.000 1.060 281 T CA 0.770 62.634 62.100 -0.394 0.000 1.040 281 T CB 0.741 69.459 68.868 -0.250 0.000 0.971 281 T HN 0.191 nan 8.240 nan 0.000 0.497 282 G N 2.204 110.300 108.800 -1.173 0.000 2.168 282 G HA2 -0.235 3.381 3.960 -0.572 0.000 0.263 282 G HA3 -0.235 3.381 3.960 -0.572 0.000 0.263 282 G C 0.149 174.527 174.900 -0.870 0.000 0.977 282 G CA 0.330 44.474 45.100 -1.594 0.000 0.659 282 G HN 0.501 nan 8.290 nan 0.000 0.533 283 M N 1.004 120.252 119.600 -0.587 0.000 2.219 283 M HA 0.532 4.669 4.480 -0.572 0.000 0.353 283 M C 0.931 177.034 176.300 -0.329 0.000 1.304 283 M CA -0.367 54.697 55.300 -0.394 0.000 1.115 283 M CB 0.387 32.836 32.600 -0.252 0.000 1.664 283 M HN 0.611 nan 8.290 nan 0.000 0.459 284 A N 3.706 126.337 122.820 -0.315 0.000 2.492 284 A HA 0.183 4.160 4.320 -0.572 0.000 0.254 284 A C 1.058 178.664 177.584 0.036 0.000 1.091 284 A CA -0.180 51.748 52.037 -0.182 0.000 0.768 284 A CB 0.119 19.031 19.000 -0.146 0.000 1.028 284 A HN 0.877 nan 8.150 nan 0.000 0.498 285 K N 2.912 123.313 120.400 0.001 0.000 2.202 285 K HA 0.114 4.090 4.320 -0.572 0.000 0.201 285 K C 0.267 177.007 176.600 0.234 0.000 1.051 285 K CA 1.081 57.426 56.287 0.097 0.000 0.977 285 K CB 0.172 32.694 32.500 0.037 0.000 0.792 285 K HN 0.881 nan 8.250 nan 0.000 0.469 286 W N -1.275 120.067 121.300 0.069 0.000 3.074 286 W HA 0.652 4.968 4.660 -0.573 0.000 0.332 286 W C -1.107 175.398 176.519 -0.023 0.000 1.253 286 W CA -0.949 56.327 57.345 -0.115 0.000 1.180 286 W CB 0.603 30.006 29.460 -0.094 0.000 1.445 286 W HN 0.072 nan 8.180 nan 0.000 0.573 287 G N 1.387 110.219 108.800 0.053 0.000 2.728 287 G HA2 0.483 4.100 3.960 -0.572 0.000 0.294 287 G HA3 0.483 4.100 3.960 -0.572 0.000 0.294 287 G C -2.989 171.818 174.900 -0.155 0.000 1.398 287 G CA -0.738 44.146 45.100 -0.359 0.000 1.183 287 G HN 0.734 nan 8.290 nan 0.000 0.578 288 Y N 2.107 122.205 120.300 -0.337 0.000 2.326 288 Y HA 0.607 4.813 4.550 -0.573 0.000 0.331 288 Y C 0.048 175.700 175.900 -0.413 0.000 0.962 288 Y CA -0.908 56.877 58.100 -0.525 0.000 1.167 288 Y CB 2.004 40.028 38.460 -0.727 0.000 1.148 288 Y HN 0.542 nan 8.280 nan 0.000 0.463 289 Q N 6.054 125.384 119.800 -0.785 0.000 2.323 289 Q HA 0.166 4.162 4.340 -0.572 0.000 0.257 289 Q C 0.186 175.608 176.000 -0.964 0.000 1.022 289 Q CA -0.007 55.402 55.803 -0.657 0.000 0.919 289 Q CB 0.957 29.432 28.738 -0.438 0.000 1.220 289 Q HN 0.918 nan 8.270 nan 0.000 0.427 290 K N 1.417 121.422 120.400 -0.658 0.000 2.167 290 K HA 0.035 4.011 4.320 -0.572 0.000 0.203 290 K C 0.021 176.518 176.600 -0.171 0.000 1.052 290 K CA 0.899 56.910 56.287 -0.461 0.000 0.956 290 K CB 0.557 32.894 32.500 -0.273 0.000 0.735 290 K HN 0.388 nan 8.250 nan 0.000 0.451 291 T N 2.916 117.427 114.554 -0.073 0.000 3.068 291 T HA 0.253 4.260 4.350 -0.572 0.000 0.364 291 T C -2.813 171.892 174.700 0.009 0.000 1.161 291 T CA -1.617 60.551 62.100 0.115 0.000 1.155 291 T CB 1.659 70.765 68.868 0.396 0.000 1.060 291 T HN -0.162 nan 8.240 nan 0.000 0.513 292 P HA 0.211 nan 4.420 nan 0.000 0.271 292 P C -0.002 177.276 177.300 -0.036 0.000 1.216 292 P CA 0.011 63.036 63.100 -0.125 0.000 0.776 292 P CB 0.129 31.733 31.700 -0.160 0.000 0.881 293 H N -0.062 118.880 119.070 -0.214 0.000 2.604 293 H HA -0.248 3.965 4.556 -0.572 0.000 0.324 293 H C -0.235 174.942 175.328 -0.252 0.000 1.068 293 H CA 0.390 56.292 56.048 -0.244 0.000 1.091 293 H CB -1.536 28.085 29.762 -0.234 0.000 1.611 293 H HN 0.403 nan 8.280 nan 0.000 0.387 294 D N 1.391 121.544 120.400 -0.411 0.000 2.472 294 D HA 0.038 4.335 4.640 -0.572 0.000 0.237 294 D C 0.908 176.667 176.300 -0.901 0.000 1.141 294 D CA 0.884 54.619 54.000 -0.441 0.000 0.875 294 D CB 0.674 41.359 40.800 -0.192 0.000 1.192 294 D HN 0.737 nan 8.370 nan 0.000 0.450 295 E N 2.090 121.434 120.200 -1.428 0.000 2.676 295 E HA 0.119 4.126 4.350 -0.572 0.000 0.225 295 E C 0.019 175.368 176.600 -2.085 0.000 0.944 295 E CA -0.267 55.083 56.400 -1.750 0.000 1.156 295 E CB 0.623 29.032 29.700 -2.151 0.000 1.117 295 E HN 0.630 nan 8.360 nan 0.000 0.523 296 W N 0.545 121.166 121.300 -1.131 0.000 2.324 296 W HA 0.188 4.507 4.660 -0.568 0.000 0.316 296 W C -0.094 175.860 176.519 -0.942 0.000 0.927 296 W CA -0.353 56.127 57.345 -1.441 0.000 1.438 296 W CB 0.465 28.730 29.460 -1.992 0.000 1.085 296 W HN 0.057 nan 8.180 nan 0.000 0.532 297 D N 0.895 120.971 120.400 -0.540 0.000 2.737 297 D HA -0.241 4.056 4.640 -0.572 0.000 0.243 297 D C -0.518 175.805 176.300 0.038 0.000 1.109 297 D CA 0.517 54.281 54.000 -0.394 0.000 0.702 297 D CB -1.572 38.638 40.800 -0.983 0.000 1.068 297 D HN -0.107 nan 8.370 nan 0.000 0.432 298 F N 0.604 120.632 119.950 0.131 0.000 2.871 298 F HA 0.544 4.729 4.527 -0.571 0.000 0.317 298 F C 1.410 177.330 175.800 0.200 0.000 1.193 298 F CA -0.660 57.443 58.000 0.172 0.000 1.311 298 F CB -0.689 38.402 39.000 0.152 0.000 1.380 298 F HN 0.286 nan 8.300 nan 0.000 0.557 299 A N 0.601 123.669 122.820 0.412 0.000 2.581 299 A HA 0.222 4.198 4.320 -0.572 0.000 0.257 299 A C 1.526 179.279 177.584 0.282 0.000 1.022 299 A CA 0.753 53.023 52.037 0.389 0.000 0.812 299 A CB -0.360 18.995 19.000 0.591 0.000 0.918 299 A HN 0.692 nan 8.150 nan 0.000 0.516 300 G N 1.950 110.884 108.800 0.224 0.000 3.455 300 G HA2 0.332 3.949 3.960 -0.572 0.000 0.250 300 G HA3 0.332 3.949 3.960 -0.572 0.000 0.250 300 G C 0.772 175.746 174.900 0.123 0.000 1.071 300 G CA 0.451 45.661 45.100 0.182 0.000 1.812 300 G HN 1.570 nan 8.290 nan 0.000 0.643 301 V N -3.028 116.873 119.914 -0.023 0.000 3.590 301 V HA 0.148 3.925 4.120 -0.572 0.000 0.265 301 V C 0.749 176.812 176.094 -0.052 0.000 1.239 301 V CA -0.879 61.302 62.300 -0.197 0.000 1.117 301 V CB -0.767 30.569 31.823 -0.812 0.000 0.818 301 V HN 0.173 nan 8.190 nan 0.000 0.451 302 N N 2.314 121.071 118.700 0.096 0.000 2.226 302 N HA -0.089 4.307 4.740 -0.572 0.000 0.232 302 N C 0.198 175.923 175.510 0.359 0.000 1.255 302 N CA 0.620 53.774 53.050 0.173 0.000 0.855 302 N CB -0.045 38.393 38.487 -0.082 0.000 1.095 302 N HN 0.731 nan 8.380 nan 0.000 0.444 303 Q N 0.470 120.487 119.800 0.362 0.000 2.333 303 Q HA -0.067 3.929 4.340 -0.572 0.000 0.299 303 Q C -0.718 175.464 176.000 0.305 0.000 1.067 303 Q CA 0.357 56.359 55.803 0.332 0.000 0.943 303 Q CB 0.378 29.204 28.738 0.148 0.000 1.233 303 Q HN 0.374 nan 8.270 nan 0.000 0.401 304 M N 4.003 123.746 119.600 0.238 0.000 2.205 304 M HA 0.342 4.479 4.480 -0.572 0.000 0.344 304 M C -1.047 175.317 176.300 0.106 0.000 1.085 304 M CA -0.696 54.689 55.300 0.141 0.000 1.001 304 M CB 1.391 34.058 32.600 0.112 0.000 1.626 304 M HN 0.292 nan 8.290 nan 0.000 0.442 305 V N 5.445 125.375 119.914 0.027 0.000 2.378 305 V HA 0.481 4.257 4.120 -0.572 0.000 0.288 305 V C -0.052 175.954 176.094 -0.147 0.000 1.016 305 V CA -0.665 61.626 62.300 -0.016 0.000 0.840 305 V CB 1.823 33.626 31.823 -0.032 0.000 0.994 305 V HN 0.708 nan 8.190 nan 0.000 0.431 306 L N 5.430 126.547 121.223 -0.176 0.000 2.264 306 L HA 0.726 4.722 4.340 -0.572 0.000 0.289 306 L C 0.437 177.090 176.870 -0.362 0.000 1.044 306 L CA -0.050 54.562 54.840 -0.381 0.000 0.807 306 L CB 1.557 43.227 42.059 -0.649 0.000 1.192 306 L HN 0.816 nan 8.230 nan 0.000 0.425 307 T N -1.613 112.731 114.554 -0.350 0.000 2.901 307 T HA 0.499 4.505 4.350 -0.572 0.000 0.293 307 T C -0.991 173.618 174.700 -0.152 0.000 1.084 307 T CA -0.908 61.031 62.100 -0.269 0.000 1.008 307 T CB 2.513 71.070 68.868 -0.519 0.000 1.170 307 T HN 0.352 nan 8.240 nan 0.000 0.509 308 D N 2.117 122.500 120.400 -0.028 0.000 2.461 308 D HA 0.439 4.735 4.640 -0.572 0.000 0.240 308 D C -0.415 175.902 176.300 0.028 0.000 1.094 308 D CA -0.192 53.815 54.000 0.011 0.000 0.868 308 D CB 1.433 42.278 40.800 0.074 0.000 1.062 308 D HN 0.542 nan 8.370 nan 0.000 0.530 309 Q N 1.434 121.232 119.800 -0.004 0.000 2.416 309 Q HA 0.421 4.417 4.340 -0.572 0.000 0.281 309 Q C -2.673 173.324 176.000 -0.005 0.000 1.067 309 Q CA -2.109 53.702 55.803 0.013 0.000 0.809 309 Q CB 3.419 32.162 28.738 0.008 0.000 1.418 309 Q HN 0.144 nan 8.270 nan 0.000 0.411 310 P HA 0.084 nan 4.420 nan 0.000 0.271 310 P C -0.837 176.453 177.300 -0.017 0.000 1.226 310 P CA 0.002 63.099 63.100 -0.005 0.000 0.765 310 P CB 0.655 32.358 31.700 0.004 0.000 0.835 311 V N 4.941 124.840 119.914 -0.027 0.000 2.409 311 V HA 0.259 4.035 4.120 -0.572 0.000 0.290 311 V C 0.411 176.485 176.094 -0.033 0.000 1.017 311 V CA -0.542 61.736 62.300 -0.036 0.000 0.841 311 V CB 0.562 32.354 31.823 -0.053 0.000 1.003 311 V HN 0.600 nan 8.190 nan 0.000 0.426 312 N N 3.854 122.537 118.700 -0.028 0.000 2.780 312 N HA -0.184 4.212 4.740 -0.572 0.000 0.248 312 N C 1.162 176.660 175.510 -0.020 0.000 1.102 312 N CA 1.469 54.503 53.050 -0.025 0.000 0.697 312 N CB -1.098 37.371 38.487 -0.031 0.000 1.028 312 N HN 1.542 nan 8.380 nan 0.000 0.554 313 G N -0.736 108.054 108.800 -0.016 0.000 2.155 313 G HA2 -0.367 3.249 3.960 -0.572 0.000 0.257 313 G HA3 -0.367 3.249 3.960 -0.572 0.000 0.257 313 G C -0.027 174.867 174.900 -0.010 0.000 0.983 313 G CA 1.189 46.283 45.100 -0.010 0.000 0.676 313 G HN 0.725 nan 8.290 nan 0.000 0.528 314 K N -1.011 119.380 120.400 -0.015 0.000 2.259 314 K HA 0.763 4.739 4.320 -0.572 0.000 0.249 314 K C -0.266 176.325 176.600 -0.015 0.000 0.942 314 K CA -1.464 54.814 56.287 -0.015 0.000 0.816 314 K CB 1.809 34.296 32.500 -0.021 0.000 1.155 314 K HN 0.053 nan 8.250 nan 0.000 0.428 315 M N 2.504 122.098 119.600 -0.010 0.000 2.194 315 M HA 0.070 4.207 4.480 -0.572 0.000 0.347 315 M C -0.578 175.710 176.300 -0.019 0.000 1.439 315 M CA 0.625 55.921 55.300 -0.007 0.000 1.131 315 M CB 0.546 33.150 32.600 0.006 0.000 1.733 315 M HN 0.803 nan 8.290 nan 0.000 0.467 316 T N 5.971 120.506 114.554 -0.031 0.000 2.876 316 T HA 0.770 4.776 4.350 -0.572 0.000 0.289 316 T C -2.895 171.766 174.700 -0.066 0.000 1.014 316 T CA -1.959 60.110 62.100 -0.052 0.000 0.986 316 T CB 1.665 70.493 68.868 -0.068 0.000 1.021 316 T HN 0.521 nan 8.240 nan 0.000 0.458 317 P HA 0.342 nan 4.420 nan 0.000 0.277 317 P C -0.647 176.560 177.300 -0.156 0.000 1.354 317 P CA -0.288 62.751 63.100 -0.102 0.000 0.891 317 P CB -0.002 31.655 31.700 -0.072 0.000 1.058 318 L N 3.643 124.756 121.223 -0.184 0.000 2.375 318 L HA 0.603 4.599 4.340 -0.572 0.000 0.268 318 L C 0.525 177.227 176.870 -0.280 0.000 1.058 318 L CA -1.147 53.563 54.840 -0.216 0.000 0.803 318 L CB 1.223 43.171 42.059 -0.185 0.000 1.212 318 L HN 0.230 nan 8.230 nan 0.000 0.451 319 L N 0.539 121.600 121.223 -0.269 0.000 2.385 319 L HA 0.631 4.628 4.340 -0.572 0.000 0.273 319 L C -0.853 175.914 176.870 -0.172 0.000 0.990 319 L CA 0.137 54.810 54.840 -0.277 0.000 0.821 319 L CB 1.977 43.843 42.059 -0.321 0.000 1.279 319 L HN 0.622 nan 8.230 nan 0.000 0.412 320 S N 1.929 117.552 115.700 -0.129 0.000 2.568 320 S HA 0.741 4.867 4.470 -0.572 0.000 0.293 320 S C -1.724 172.907 174.600 0.053 0.000 1.089 320 S CA -0.533 57.629 58.200 -0.062 0.000 0.945 320 S CB 1.619 64.748 63.200 -0.119 0.000 1.077 320 S HN 0.838 nan 8.310 nan 0.000 0.485 321 H N 0.211 119.232 119.070 -0.083 0.000 3.139 321 H HA 0.411 4.625 4.556 -0.570 0.000 0.325 321 H C -2.043 173.225 175.328 -0.101 0.000 1.146 321 H CA -0.445 55.557 56.048 -0.078 0.000 1.351 321 H CB 0.247 30.001 29.762 -0.013 0.000 2.005 321 H HN 0.513 nan 8.280 nan 0.000 0.517 322 I N 4.397 124.660 120.570 -0.511 0.000 2.328 322 I HA 0.218 4.044 4.170 -0.572 0.000 0.287 322 I C 0.010 175.731 176.117 -0.661 0.000 1.012 322 I CA -0.365 60.600 61.300 -0.559 0.000 1.195 322 I CB 1.181 38.825 38.000 -0.594 0.000 1.350 322 I HN 0.631 nan 8.210 nan 0.000 0.464 323 D N 3.795 123.951 120.400 -0.407 0.000 2.348 323 D HA 0.227 4.524 4.640 -0.572 0.000 0.249 323 D C 1.289 177.488 176.300 -0.169 0.000 1.110 323 D CA -0.333 53.505 54.000 -0.270 0.000 0.967 323 D CB 1.180 42.024 40.800 0.073 0.000 1.139 323 D HN 0.327 nan 8.370 nan 0.000 0.466 324 R N 0.284 120.734 120.500 -0.084 0.000 2.159 324 R HA -0.159 3.838 4.340 -0.572 0.000 0.237 324 R C 1.614 177.595 176.300 -0.531 0.000 1.131 324 R CA 1.401 57.452 56.100 -0.081 0.000 0.982 324 R CB -0.268 30.129 30.300 0.162 0.000 0.868 324 R HN 0.543 nan 8.270 nan 0.000 0.453 325 N N -0.526 117.760 118.700 -0.690 0.000 2.381 325 N HA -0.070 4.327 4.740 -0.572 0.000 0.182 325 N C 1.005 175.985 175.510 -0.884 0.000 1.025 325 N CA 1.542 53.822 53.050 -1.285 0.000 0.888 325 N CB -0.054 38.130 38.487 -0.504 0.000 0.965 325 N HN 0.254 nan 8.380 nan 0.000 0.438 326 G N -1.078 107.426 108.800 -0.494 0.000 2.148 326 G HA2 -0.138 3.479 3.960 -0.572 0.000 0.203 326 G HA3 -0.138 3.479 3.960 -0.572 0.000 0.203 326 G C -0.541 174.204 174.900 -0.259 0.000 0.993 326 G CA 0.081 44.976 45.100 -0.342 0.000 0.661 326 G HN 0.265 nan 8.290 nan 0.000 0.518 327 I N 1.025 121.419 120.570 -0.293 0.000 2.404 327 I HA 0.536 4.362 4.170 -0.572 0.000 0.293 327 I C 0.133 175.926 176.117 -0.541 0.000 0.992 327 I CA -1.474 59.564 61.300 -0.436 0.000 1.149 327 I CB 1.410 39.060 38.000 -0.583 0.000 1.315 327 I HN 0.101 nan 8.210 nan 0.000 0.446 328 L N 8.228 129.128 121.223 -0.538 0.000 2.281 328 L HA 0.384 4.381 4.340 -0.572 0.000 0.285 328 L C -1.375 175.212 176.870 -0.472 0.000 1.074 328 L CA 0.008 54.556 54.840 -0.488 0.000 0.817 328 L CB 0.098 41.796 42.059 -0.601 0.000 1.168 328 L HN 0.272 nan 8.230 nan 0.000 0.434 329 Y N 2.980 123.193 120.300 -0.146 0.000 2.352 329 Y HA 0.629 4.837 4.550 -0.570 0.000 0.339 329 Y C 0.353 176.173 175.900 -0.133 0.000 0.992 329 Y CA -0.595 57.440 58.100 -0.108 0.000 1.100 329 Y CB 2.068 40.515 38.460 -0.021 0.000 1.192 329 Y HN 0.556 nan 8.280 nan 0.000 0.458 330 T N 5.367 119.912 114.554 -0.015 0.000 2.840 330 T HA 0.629 4.636 4.350 -0.572 0.000 0.287 330 T C -0.654 173.964 174.700 -0.138 0.000 0.991 330 T CA -0.683 61.364 62.100 -0.089 0.000 0.964 330 T CB 0.487 69.286 68.868 -0.115 0.000 0.954 330 T HN 0.352 nan 8.240 nan 0.000 0.438 331 L N 2.363 123.471 121.223 -0.192 0.000 2.279 331 L HA 0.651 4.648 4.340 -0.572 0.000 0.262 331 L C 0.101 176.788 176.870 -0.305 0.000 1.019 331 L CA -1.293 53.368 54.840 -0.297 0.000 0.823 331 L CB 1.567 43.372 42.059 -0.423 0.000 1.358 331 L HN 0.495 nan 8.230 nan 0.000 0.432 332 N N 1.070 119.549 118.700 -0.368 0.000 2.434 332 N HA 0.124 4.521 4.740 -0.572 0.000 0.272 332 N C 0.682 175.961 175.510 -0.385 0.000 1.040 332 N CA -0.398 52.467 53.050 -0.308 0.000 0.956 332 N CB 1.517 39.844 38.487 -0.267 0.000 1.108 332 N HN 0.644 nan 8.380 nan 0.000 0.481 333 R N 2.282 122.638 120.500 -0.240 0.000 2.316 333 R HA 0.019 4.015 4.340 -0.572 0.000 0.202 333 R C 0.996 177.412 176.300 0.193 0.000 1.029 333 R CA 0.739 56.794 56.100 -0.076 0.000 1.018 333 R CB 0.112 30.256 30.300 -0.260 0.000 0.888 333 R HN 0.591 nan 8.270 nan 0.000 0.471 334 E N 1.981 122.172 120.200 -0.014 0.000 2.014 334 E HA -0.099 3.907 4.350 -0.572 0.000 0.190 334 E C 1.225 177.821 176.600 -0.006 0.000 0.980 334 E CA 1.487 57.919 56.400 0.052 0.000 0.807 334 E CB 0.161 29.850 29.700 -0.019 0.000 0.770 334 E HN 0.676 nan 8.360 nan 0.000 0.451 335 N N -1.976 116.562 118.700 -0.270 0.000 2.184 335 N HA 0.101 4.497 4.740 -0.572 0.000 0.206 335 N C 0.695 175.737 175.510 -0.780 0.000 1.151 335 N CA 0.537 53.381 53.050 -0.342 0.000 0.878 335 N CB 1.675 40.037 38.487 -0.209 0.000 1.014 335 N HN 0.224 nan 8.380 nan 0.000 0.512 336 G N 1.244 109.230 108.800 -1.356 0.000 2.132 336 G HA2 -0.230 3.386 3.960 -0.572 0.000 0.228 336 G HA3 -0.230 3.386 3.960 -0.572 0.000 0.228 336 G C -0.710 173.790 174.900 -0.665 0.000 1.000 336 G CA -0.482 43.664 45.100 -1.590 0.000 0.693 336 G HN 0.359 nan 8.290 nan 0.000 0.515 337 N N 0.191 118.594 118.700 -0.494 0.000 2.513 337 N HA 0.335 4.732 4.740 -0.572 0.000 0.268 337 N C 0.346 175.686 175.510 -0.283 0.000 1.180 337 N CA -0.446 52.428 53.050 -0.294 0.000 0.948 337 N CB 0.986 39.334 38.487 -0.231 0.000 1.083 337 N HN 0.137 nan 8.380 nan 0.000 0.455 338 L N 3.589 124.693 121.223 -0.199 0.000 2.433 338 L HA 0.173 4.169 4.340 -0.572 0.000 0.275 338 L C 0.949 177.726 176.870 -0.154 0.000 1.128 338 L CA 0.539 55.248 54.840 -0.217 0.000 0.875 338 L CB -0.418 41.541 42.059 -0.167 0.000 1.171 338 L HN 0.624 nan 8.230 nan 0.000 0.463 339 I N 3.947 124.424 120.570 -0.155 0.000 3.565 339 I HA 0.124 3.951 4.170 -0.572 0.000 0.287 339 I C -0.002 176.054 176.117 -0.103 0.000 1.193 339 I CA 0.334 61.562 61.300 -0.121 0.000 1.402 339 I CB 0.557 38.481 38.000 -0.127 0.000 1.284 339 I HN 0.250 nan 8.210 nan 0.000 0.454 340 V N 0.865 120.715 119.914 -0.107 0.000 2.841 340 V HA 0.753 4.529 4.120 -0.572 0.000 0.310 340 V C -0.780 175.234 176.094 -0.134 0.000 1.090 340 V CA -0.628 61.604 62.300 -0.112 0.000 0.930 340 V CB 1.892 33.645 31.823 -0.117 0.000 1.014 340 V HN 0.221 nan 8.190 nan 0.000 0.425 341 A N 2.861 125.577 122.820 -0.174 0.000 3.124 341 A HA 0.670 4.647 4.320 -0.572 0.000 0.295 341 A C -0.651 176.771 177.584 -0.269 0.000 1.199 341 A CA -0.462 51.402 52.037 -0.289 0.000 0.845 341 A CB 0.383 19.284 19.000 -0.165 0.000 1.381 341 A HN 0.596 nan 8.150 nan 0.000 0.537 342 E N 1.003 121.028 120.200 -0.292 0.000 2.221 342 E HA 0.347 4.353 4.350 -0.572 0.000 0.268 342 E C -0.607 175.856 176.600 -0.230 0.000 0.933 342 E CA -0.622 55.653 56.400 -0.209 0.000 0.809 342 E CB 1.702 31.311 29.700 -0.152 0.000 1.190 342 E HN 0.527 nan 8.360 nan 0.000 0.406 343 K N 0.928 121.246 120.400 -0.137 0.000 2.412 343 K HA 0.044 4.020 4.320 -0.572 0.000 0.281 343 K C 1.388 177.956 176.600 -0.055 0.000 1.027 343 K CA -0.096 56.130 56.287 -0.102 0.000 0.989 343 K CB 0.675 33.148 32.500 -0.046 0.000 0.935 343 K HN 0.286 nan 8.250 nan 0.000 0.475 344 V N -1.264 118.623 119.914 -0.044 0.000 2.809 344 V HA -0.031 3.746 4.120 -0.572 0.000 0.256 344 V C 0.586 176.801 176.094 0.202 0.000 1.080 344 V CA 1.010 63.339 62.300 0.047 0.000 1.102 344 V CB -0.257 31.548 31.823 -0.030 0.000 0.705 344 V HN 0.768 nan 8.190 nan 0.000 0.475 345 D N -0.232 120.296 120.400 0.213 0.000 2.927 345 D HA 0.299 4.595 4.640 -0.572 0.000 0.219 345 D C -2.557 173.871 176.300 0.214 0.000 1.248 345 D CA -1.265 52.869 54.000 0.223 0.000 0.861 345 D CB 2.683 43.618 40.800 0.226 0.000 1.677 345 D HN -0.062 nan 8.370 nan 0.000 0.511 346 P HA -0.036 nan 4.420 nan 0.000 0.223 346 P C 0.977 178.342 177.300 0.109 0.000 1.144 346 P CA 0.589 63.752 63.100 0.105 0.000 0.783 346 P CB 0.107 31.860 31.700 0.087 0.000 0.771 347 A N -0.338 122.614 122.820 0.219 0.000 2.067 347 A HA -0.018 3.958 4.320 -0.572 0.000 0.219 347 A C 1.096 178.683 177.584 0.005 0.000 1.158 347 A CA 0.450 52.601 52.037 0.190 0.000 0.661 347 A CB -1.180 18.044 19.000 0.374 0.000 0.801 347 A HN 0.073 nan 8.150 nan 0.000 0.452 348 V N 2.249 122.131 119.914 -0.053 0.000 2.509 348 V HA 0.021 3.797 4.120 -0.572 0.000 0.297 348 V C 0.830 176.709 176.094 -0.359 0.000 1.014 348 V CA 0.959 63.045 62.300 -0.357 0.000 1.127 348 V CB -0.111 31.502 31.823 -0.350 0.000 0.925 348 V HN 0.840 nan 8.190 nan 0.000 0.480 349 N N 3.049 121.431 118.700 -0.530 0.000 2.143 349 N HA -0.009 4.387 4.740 -0.572 0.000 0.229 349 N C 0.691 175.893 175.510 -0.514 0.000 1.294 349 N CA 0.399 53.106 53.050 -0.572 0.000 0.883 349 N CB 0.191 38.098 38.487 -0.968 0.000 1.148 349 N HN 0.409 nan 8.380 nan 0.000 0.511 350 V N -2.785 116.734 119.914 -0.659 0.000 2.515 350 V HA 0.244 4.021 4.120 -0.572 0.000 0.250 350 V C -0.081 175.824 176.094 -0.315 0.000 1.058 350 V CA 0.784 62.683 62.300 -0.669 0.000 1.064 350 V CB -1.017 29.889 31.823 -1.529 0.000 0.675 350 V HN -0.019 nan 8.190 nan 0.000 0.461 351 F N -0.313 119.548 119.950 -0.148 0.000 2.508 351 F HA 0.657 4.842 4.527 -0.571 0.000 0.325 351 F C 1.017 176.786 175.800 -0.051 0.000 1.090 351 F CA -2.253 55.708 58.000 -0.065 0.000 0.945 351 F CB 1.862 40.808 39.000 -0.091 0.000 1.156 351 F HN -0.291 nan 8.300 nan 0.000 0.463 352 K N 0.925 121.447 120.400 0.203 0.000 2.097 352 K HA -0.064 3.913 4.320 -0.572 0.000 0.205 352 K C -0.195 176.454 176.600 0.081 0.000 1.050 352 K CA 1.469 57.821 56.287 0.108 0.000 0.938 352 K CB 0.164 32.720 32.500 0.093 0.000 0.718 352 K HN 0.733 nan 8.250 nan 0.000 0.442 353 K N -2.795 117.661 120.400 0.094 0.000 3.073 353 K HA 0.235 4.212 4.320 -0.572 0.000 0.300 353 K C -1.633 174.967 176.600 -0.001 0.000 1.082 353 K CA -0.968 55.345 56.287 0.043 0.000 0.803 353 K CB 1.055 33.562 32.500 0.012 0.000 1.488 353 K HN -0.167 nan 8.250 nan 0.000 0.372 354 V N 0.481 120.375 119.914 -0.033 0.000 2.378 354 V HA 0.461 4.237 4.120 -0.572 0.000 0.288 354 V C -1.001 175.081 176.094 -0.020 0.000 1.016 354 V CA -0.374 61.893 62.300 -0.056 0.000 0.840 354 V CB 1.321 33.104 31.823 -0.067 0.000 0.994 354 V HN 0.754 nan 8.190 nan 0.000 0.431 355 D N 5.090 125.486 120.400 -0.008 0.000 2.339 355 D HA 0.175 4.471 4.640 -0.572 0.000 0.256 355 D C 1.152 177.474 176.300 0.035 0.000 1.214 355 D CA 0.047 54.053 54.000 0.009 0.000 0.877 355 D CB 1.518 42.323 40.800 0.010 0.000 1.111 355 D HN 0.715 nan 8.370 nan 0.000 0.478 356 L N 3.750 124.984 121.223 0.018 0.000 2.275 356 L HA -0.152 3.845 4.340 -0.572 0.000 0.215 356 L C 2.331 179.230 176.870 0.048 0.000 1.119 356 L CA 0.856 55.710 54.840 0.024 0.000 0.790 356 L CB -0.095 41.956 42.059 -0.014 0.000 0.919 356 L HN 0.309 nan 8.230 nan 0.000 0.443 357 K N -0.309 120.107 120.400 0.027 0.000 2.021 357 K HA -0.096 3.880 4.320 -0.572 0.000 0.205 357 K C 2.182 178.814 176.600 0.053 0.000 1.047 357 K CA 1.797 58.084 56.287 0.000 0.000 0.943 357 K CB -0.413 32.068 32.500 -0.033 0.000 0.725 357 K HN 0.303 nan 8.250 nan 0.000 0.439 358 T N -1.615 112.990 114.554 0.085 0.000 3.055 358 T HA 0.051 4.058 4.350 -0.572 0.000 0.265 358 T C 1.400 176.273 174.700 0.287 0.000 1.111 358 T CA 0.820 63.014 62.100 0.156 0.000 1.118 358 T CB -0.169 68.745 68.868 0.075 0.000 0.909 358 T HN 0.420 nan 8.240 nan 0.000 0.501 359 G N 0.428 109.385 108.800 0.262 0.000 2.198 359 G HA2 -0.209 3.407 3.960 -0.572 0.000 0.260 359 G HA3 -0.209 3.407 3.960 -0.572 0.000 0.260 359 G C 0.113 175.163 174.900 0.250 0.000 1.025 359 G CA 0.451 45.744 45.100 0.322 0.000 0.769 359 G HN 0.810 nan 8.290 nan 0.000 0.507 360 T N 1.263 115.879 114.554 0.104 0.000 2.863 360 T HA 0.628 4.635 4.350 -0.572 0.000 0.285 360 T C -2.630 172.004 174.700 -0.110 0.000 1.009 360 T CA -1.220 60.866 62.100 -0.024 0.000 0.989 360 T CB 2.527 71.384 68.868 -0.019 0.000 1.004 360 T HN 0.019 nan 8.240 nan 0.000 0.455 361 P HA 0.190 nan 4.420 nan 0.000 0.271 361 P C -0.680 176.443 177.300 -0.294 0.000 1.220 361 P CA -0.275 62.493 63.100 -0.555 0.000 0.768 361 P CB 0.362 31.180 31.700 -1.471 0.000 0.848 362 V N 5.536 125.366 119.914 -0.140 0.000 2.313 362 V HA 0.133 3.910 4.120 -0.572 0.000 0.252 362 V C 1.158 177.325 176.094 0.121 0.000 1.112 362 V CA -0.364 61.937 62.300 0.002 0.000 0.984 362 V CB -1.010 30.826 31.823 0.022 0.000 1.157 362 V HN 0.465 nan 8.190 nan 0.000 0.493 363 R N 2.579 123.174 120.500 0.158 0.000 2.698 363 R HA 0.172 4.168 4.340 -0.572 0.000 0.266 363 R C -0.153 176.295 176.300 0.246 0.000 1.026 363 R CA -0.117 56.176 56.100 0.322 0.000 1.102 363 R CB 0.469 30.951 30.300 0.303 0.000 0.978 363 R HN 0.566 nan 8.270 nan 0.000 0.436 364 D N 2.530 123.104 120.400 0.290 0.000 2.440 364 D HA 0.213 4.510 4.640 -0.572 0.000 0.239 364 D C -1.965 174.456 176.300 0.201 0.000 1.084 364 D CA -2.642 51.499 54.000 0.236 0.000 0.843 364 D CB 1.907 42.892 40.800 0.308 0.000 1.097 364 D HN 0.132 nan 8.370 nan 0.000 0.531 365 P HA -0.107 nan 4.420 nan 0.000 0.219 365 P C 1.011 178.265 177.300 -0.077 0.000 1.146 365 P CA 0.784 63.897 63.100 0.022 0.000 0.808 365 P CB 0.335 32.025 31.700 -0.016 0.000 0.779 366 E N -0.768 119.316 120.200 -0.194 0.000 2.204 366 E HA -0.143 3.863 4.350 -0.572 0.000 0.194 366 E C 0.324 176.473 176.600 -0.752 0.000 0.989 366 E CA 0.890 56.975 56.400 -0.525 0.000 0.824 366 E CB -0.319 28.944 29.700 -0.728 0.000 0.756 366 E HN 0.223 nan 8.360 nan 0.000 0.477 367 F N 0.313 120.328 119.950 0.109 0.000 2.772 367 F HA 0.449 4.636 4.527 -0.568 0.000 0.302 367 F C 0.423 176.374 175.800 0.252 0.000 1.136 367 F CA -0.380 57.699 58.000 0.131 0.000 1.322 367 F CB 0.496 39.511 39.000 0.024 0.000 0.967 367 F HN 0.010 nan 8.300 nan 0.000 0.513 368 A N 0.150 123.135 122.820 0.275 0.000 2.247 368 A HA 0.818 4.794 4.320 -0.572 0.000 0.313 368 A C 0.245 177.861 177.584 0.053 0.000 1.109 368 A CA -0.230 51.941 52.037 0.225 0.000 0.890 368 A CB 0.451 19.512 19.000 0.101 0.000 1.239 368 A HN 0.200 nan 8.150 nan 0.000 0.506 369 T N -1.147 113.275 114.554 -0.219 0.000 2.876 369 T HA 0.787 4.794 4.350 -0.572 0.000 0.289 369 T C -0.652 173.981 174.700 -0.112 0.000 1.014 369 T CA -0.849 61.117 62.100 -0.223 0.000 0.986 369 T CB 1.270 69.654 68.868 -0.806 0.000 1.021 369 T HN 1.075 nan 8.240 nan 0.000 0.458 370 R N 2.148 122.692 120.500 0.074 0.000 2.716 370 R HA 0.487 4.484 4.340 -0.572 0.000 0.271 370 R C -0.638 175.758 176.300 0.160 0.000 1.028 370 R CA -1.173 54.978 56.100 0.085 0.000 0.883 370 R CB 0.850 31.183 30.300 0.055 0.000 1.250 370 R HN 0.443 nan 8.270 nan 0.000 0.465 371 M N 1.680 121.356 119.600 0.126 0.000 2.228 371 M HA 0.008 4.145 4.480 -0.572 0.000 0.303 371 M C 0.146 176.538 176.300 0.153 0.000 1.099 371 M CA 1.214 56.597 55.300 0.138 0.000 1.171 371 M CB -0.452 32.211 32.600 0.105 0.000 1.412 371 M HN 0.785 nan 8.290 nan 0.000 0.447 372 D N 0.052 120.540 120.400 0.147 0.000 2.931 372 D HA -0.250 4.047 4.640 -0.572 0.000 0.228 372 D C -0.158 176.254 176.300 0.187 0.000 1.180 372 D CA 1.310 55.393 54.000 0.138 0.000 0.784 372 D CB -1.598 39.266 40.800 0.106 0.000 1.093 372 D HN 0.772 nan 8.370 nan 0.000 0.421 373 H N -0.203 118.925 119.070 0.096 0.000 2.947 373 H HA 0.412 4.624 4.556 -0.573 0.000 0.354 373 H C -1.030 174.378 175.328 0.134 0.000 1.085 373 H CA -0.883 55.220 56.048 0.092 0.000 1.253 373 H CB 1.351 31.152 29.762 0.066 0.000 1.757 373 H HN -0.085 nan 8.280 nan 0.000 0.523 374 K N 4.192 124.240 120.400 -0.587 0.000 2.264 374 K HA 0.440 4.417 4.320 -0.572 0.000 0.277 374 K C -0.170 176.036 176.600 -0.656 0.000 1.067 374 K CA -0.630 55.431 56.287 -0.377 0.000 0.900 374 K CB 0.546 32.977 32.500 -0.115 0.000 1.124 374 K HN 0.810 nan 8.250 nan 0.000 0.469 375 G N 2.314 110.976 108.800 -0.230 0.000 2.432 375 G HA2 0.262 3.878 3.960 -0.572 0.000 0.257 375 G HA3 0.262 3.878 3.960 -0.572 0.000 0.257 375 G C -0.411 174.600 174.900 0.186 0.000 1.238 375 G CA -0.293 44.864 45.100 0.095 0.000 0.838 375 G HN 0.670 nan 8.290 nan 0.000 0.547 376 T N -0.713 113.979 114.554 0.230 0.000 2.900 376 T HA 0.430 4.437 4.350 -0.572 0.000 0.295 376 T C 0.170 175.091 174.700 0.368 0.000 1.044 376 T CA -0.869 61.395 62.100 0.274 0.000 0.995 376 T CB 1.603 70.584 68.868 0.188 0.000 1.072 376 T HN 0.683 nan 8.240 nan 0.000 0.473 377 N N 0.581 119.523 118.700 0.403 0.000 2.735 377 N HA -0.134 4.262 4.740 -0.572 0.000 0.248 377 N C -0.465 175.202 175.510 0.262 0.000 1.083 377 N CA 0.451 53.725 53.050 0.373 0.000 0.703 377 N CB -1.260 37.429 38.487 0.338 0.000 1.005 377 N HN 0.755 nan 8.380 nan 0.000 0.550 378 I N 0.904 121.621 120.570 0.245 0.000 2.416 378 I HA 0.141 3.968 4.170 -0.572 0.000 0.288 378 I C 0.625 176.682 176.117 -0.099 0.000 1.051 378 I CA -0.189 61.180 61.300 0.115 0.000 1.375 378 I CB 0.937 39.071 38.000 0.223 0.000 1.407 378 I HN 0.056 nan 8.210 nan 0.000 0.516 379 c N 7.358 125.774 118.600 -0.307 0.000 2.396 379 c HA 0.490 4.717 4.570 -0.572 0.000 0.321 379 c C -2.273 171.391 174.090 -0.710 0.000 1.233 379 c CA -1.416 54.654 56.329 -0.432 0.000 1.440 379 c CB 1.610 43.911 42.510 -0.349 0.000 2.110 379 c HN 0.468 nan 8.230 nan 0.000 0.473 380 P HA 0.267 nan 4.420 nan 0.000 0.276 380 P C -0.095 177.116 177.300 -0.149 0.000 1.261 380 P CA -0.109 62.510 63.100 -0.801 0.000 0.800 380 P CB 0.561 31.626 31.700 -1.059 0.000 1.066 381 S N -0.030 115.677 115.700 0.012 0.000 2.641 381 S HA 0.336 4.463 4.470 -0.572 0.000 0.261 381 S C 1.439 176.219 174.600 0.299 0.000 1.257 381 S CA 0.186 58.464 58.200 0.131 0.000 0.983 381 S CB -0.183 63.051 63.200 0.057 0.000 0.990 381 S HN 0.447 nan 8.310 nan 0.000 0.572 382 A N 0.534 123.553 122.820 0.332 0.000 2.070 382 A HA 0.003 3.980 4.320 -0.572 0.000 0.220 382 A C 2.180 180.042 177.584 0.463 0.000 1.159 382 A CA 1.326 53.613 52.037 0.417 0.000 0.656 382 A CB -0.934 18.322 19.000 0.427 0.000 0.800 382 A HN 0.847 nan 8.150 nan 0.000 0.453 383 M N -0.964 118.764 119.600 0.213 0.000 2.476 383 M HA 0.128 4.265 4.480 -0.572 0.000 0.262 383 M C 1.269 177.809 176.300 0.399 0.000 1.079 383 M CA 0.751 56.181 55.300 0.217 0.000 1.104 383 M CB -0.480 32.110 32.600 -0.016 0.000 1.409 383 M HN 0.605 nan 8.290 nan 0.000 0.467 384 G N 0.201 109.200 108.800 0.331 0.000 2.855 384 G HA2 -0.269 3.347 3.960 -0.572 0.000 0.352 384 G HA3 -0.269 3.347 3.960 -0.572 0.000 0.352 384 G C -0.297 174.810 174.900 0.346 0.000 1.415 384 G CA -0.676 44.559 45.100 0.224 0.000 0.871 384 G HN 0.263 nan 8.290 nan 0.000 0.543 385 F N 1.194 121.121 119.950 -0.038 0.000 2.765 385 F HA 0.330 4.524 4.527 -0.554 0.000 0.302 385 F C 1.310 177.148 175.800 0.064 0.000 1.111 385 F CA 0.808 58.806 58.000 -0.002 0.000 1.359 385 F CB -0.072 38.892 39.000 -0.060 0.000 1.097 385 F HN 0.657 nan 8.300 nan 0.000 0.577 386 H N -0.467 118.667 119.070 0.107 0.000 3.123 386 H HA 0.217 4.429 4.556 -0.573 0.000 0.346 386 H C -1.109 174.188 175.328 -0.051 0.000 1.138 386 H CA -0.276 55.767 56.048 -0.008 0.000 1.273 386 H CB 1.633 31.363 29.762 -0.053 0.000 1.926 386 H HN -0.021 nan 8.280 nan 0.000 0.524 387 N N 0.815 119.409 118.700 -0.176 0.000 3.384 387 N HA -0.046 4.351 4.740 -0.572 0.000 0.352 387 N C 0.974 176.459 175.510 -0.042 0.000 1.466 387 N CA -0.204 52.746 53.050 -0.166 0.000 0.629 387 N CB 0.981 39.089 38.487 -0.632 0.000 1.810 387 N HN 0.621 nan 8.380 nan 0.000 0.575 388 Q N 1.098 120.840 119.800 -0.096 0.000 2.439 388 Q HA 0.002 3.998 4.340 -0.572 0.000 0.211 388 Q C 0.089 176.274 176.000 0.309 0.000 0.978 388 Q CA 0.685 56.617 55.803 0.215 0.000 0.897 388 Q CB -1.024 27.924 28.738 0.350 0.000 0.956 388 Q HN 0.573 nan 8.270 nan 0.000 0.483 389 G N 0.909 109.695 108.800 -0.024 0.000 2.544 389 G HA2 0.288 3.904 3.960 -0.572 0.000 0.242 389 G HA3 0.288 3.904 3.960 -0.572 0.000 0.242 389 G C -0.685 174.226 174.900 0.018 0.000 1.247 389 G CA 0.066 45.172 45.100 0.010 0.000 0.840 389 G HN 0.281 nan 8.290 nan 0.000 0.578 390 V N 1.331 121.140 119.914 -0.175 0.000 2.347 390 V HA 0.394 4.170 4.120 -0.572 0.000 0.280 390 V C -0.670 175.303 176.094 -0.202 0.000 1.021 390 V CA -1.068 61.019 62.300 -0.356 0.000 0.847 390 V CB 0.917 32.261 31.823 -0.797 0.000 0.990 390 V HN 0.602 nan 8.190 nan 0.000 0.444 391 D N 4.295 124.702 120.400 0.011 0.000 2.354 391 D HA 0.532 4.829 4.640 -0.572 0.000 0.247 391 D C 0.345 176.798 176.300 0.256 0.000 1.138 391 D CA 0.139 54.237 54.000 0.164 0.000 0.958 391 D CB 1.877 42.804 40.800 0.212 0.000 1.144 391 D HN 0.885 nan 8.370 nan 0.000 0.458 392 S N -0.422 115.515 115.700 0.395 0.000 2.689 392 S HA 0.610 4.737 4.470 -0.572 0.000 0.306 392 S C -1.118 173.766 174.600 0.474 0.000 1.104 392 S CA -0.863 57.649 58.200 0.520 0.000 0.973 392 S CB 1.613 65.208 63.200 0.658 0.000 1.121 392 S HN 0.484 nan 8.310 nan 0.000 0.523 393 Y N 0.917 121.401 120.300 0.307 0.000 2.373 393 Y HA 0.485 4.691 4.550 -0.573 0.000 0.336 393 Y C -1.475 174.479 175.900 0.089 0.000 0.979 393 Y CA -0.908 57.268 58.100 0.127 0.000 1.080 393 Y CB 1.591 40.112 38.460 0.102 0.000 1.190 393 Y HN 0.847 nan 8.280 nan 0.000 0.446 394 D N 8.579 128.540 120.400 -0.731 0.000 2.347 394 D HA 0.301 4.598 4.640 -0.572 0.000 0.235 394 D C -1.999 173.736 176.300 -0.943 0.000 1.149 394 D CA -2.646 50.851 54.000 -0.839 0.000 0.850 394 D CB 1.783 42.052 40.800 -0.886 0.000 1.061 394 D HN 0.346 nan 8.370 nan 0.000 0.487 395 P HA -0.063 nan 4.420 nan 0.000 0.229 395 P C 0.741 177.969 177.300 -0.120 0.000 1.160 395 P CA 0.770 63.719 63.100 -0.252 0.000 0.777 395 P CB 0.653 32.419 31.700 0.111 0.000 0.814 396 E N 0.368 120.503 120.200 -0.107 0.000 2.042 396 E HA -0.059 3.947 4.350 -0.572 0.000 0.189 396 E C 2.019 178.583 176.600 -0.059 0.000 0.974 396 E CA 1.527 57.909 56.400 -0.031 0.000 0.806 396 E CB -0.133 29.581 29.700 0.023 0.000 0.769 396 E HN 0.267 nan 8.360 nan 0.000 0.451 397 S N -0.062 115.570 115.700 -0.112 0.000 2.575 397 S HA 0.122 4.248 4.470 -0.572 0.000 0.215 397 S C 0.574 175.095 174.600 -0.130 0.000 0.966 397 S CA -0.196 57.954 58.200 -0.083 0.000 0.911 397 S CB 0.158 63.331 63.200 -0.044 0.000 0.780 397 S HN 0.143 nan 8.310 nan 0.000 0.514 398 R N 1.019 121.383 120.500 -0.227 0.000 3.209 398 R HA -0.105 3.892 4.340 -0.572 0.000 0.252 398 R C -1.084 175.108 176.300 -0.179 0.000 0.958 398 R CA 1.025 57.026 56.100 -0.164 0.000 0.651 398 R CB -2.406 27.917 30.300 0.039 0.000 1.142 398 R HN 0.546 nan 8.270 nan 0.000 0.441 399 T N 0.384 114.656 114.554 -0.471 0.000 2.876 399 T HA 0.588 4.595 4.350 -0.572 0.000 0.289 399 T C -0.597 173.709 174.700 -0.657 0.000 1.014 399 T CA -0.787 60.994 62.100 -0.532 0.000 0.986 399 T CB 2.099 70.580 68.868 -0.646 0.000 1.021 399 T HN 0.215 nan 8.240 nan 0.000 0.458 400 L N 3.069 124.025 121.223 -0.445 0.000 2.313 400 L HA 0.592 4.588 4.340 -0.572 0.000 0.283 400 L C -1.642 174.983 176.870 -0.409 0.000 1.013 400 L CA -0.679 54.032 54.840 -0.216 0.000 0.816 400 L CB 0.661 42.750 42.059 0.050 0.000 1.236 400 L HN 0.631 nan 8.230 nan 0.000 0.419 401 Y N 4.749 125.078 120.300 0.049 0.000 2.417 401 Y HA 0.692 4.896 4.550 -0.577 0.000 0.336 401 Y C 0.448 176.376 175.900 0.046 0.000 0.961 401 Y CA -0.627 57.455 58.100 -0.030 0.000 1.215 401 Y CB 1.142 39.630 38.460 0.047 0.000 1.120 401 Y HN 0.677 nan 8.280 nan 0.000 0.499 402 A N 2.133 125.028 122.820 0.125 0.000 2.312 402 A HA 0.773 4.750 4.320 -0.572 0.000 0.326 402 A C 0.391 178.009 177.584 0.058 0.000 1.172 402 A CA -0.522 51.618 52.037 0.172 0.000 0.821 402 A CB 0.560 19.729 19.000 0.282 0.000 1.166 402 A HN 0.875 nan 8.150 nan 0.000 0.493 403 G N 1.564 110.380 108.800 0.027 0.000 2.428 403 G HA2 0.542 4.158 3.960 -0.572 0.000 0.320 403 G HA3 0.542 4.158 3.960 -0.572 0.000 0.320 403 G C -0.584 174.212 174.900 -0.174 0.000 1.098 403 G CA -0.253 44.792 45.100 -0.092 0.000 0.984 403 G HN 0.611 nan 8.290 nan 0.000 0.444 404 L N 1.830 122.995 121.223 -0.096 0.000 2.319 404 L HA 0.468 4.465 4.340 -0.572 0.000 0.267 404 L C -0.116 176.734 176.870 -0.033 0.000 1.011 404 L CA -1.096 53.705 54.840 -0.066 0.000 0.818 404 L CB 2.357 44.373 42.059 -0.071 0.000 1.316 404 L HN 0.504 nan 8.230 nan 0.000 0.432 405 N N -0.861 117.856 118.700 0.027 0.000 2.417 405 N HA 0.382 4.779 4.740 -0.572 0.000 0.300 405 N C -1.084 174.379 175.510 -0.079 0.000 1.102 405 N CA -0.744 52.383 53.050 0.129 0.000 0.886 405 N CB 1.436 40.114 38.487 0.317 0.000 1.203 405 N HN 0.477 nan 8.380 nan 0.000 0.496 406 H N 1.431 120.417 119.070 -0.141 0.000 2.423 406 H HA 0.503 4.734 4.556 -0.542 0.000 0.237 406 H C -1.472 173.856 175.328 -0.000 0.000 1.391 406 H CA -0.353 55.518 56.048 -0.296 0.000 1.453 406 H CB -0.185 29.562 29.762 -0.025 0.000 1.484 406 H HN 0.472 nan 8.280 nan 0.000 0.505 407 I N 2.578 123.180 120.570 0.054 0.000 2.569 407 I HA 0.318 4.145 4.170 -0.572 0.000 0.290 407 I C -0.531 175.630 176.117 0.073 0.000 1.088 407 I CA -0.569 60.767 61.300 0.060 0.000 1.047 407 I CB 1.884 39.958 38.000 0.123 0.000 1.237 407 I HN 0.433 nan 8.210 nan 0.000 0.421 408 c N 5.626 124.124 118.600 -0.170 0.000 2.668 408 c HA 0.856 5.082 4.570 -0.572 0.000 0.355 408 c C -0.002 173.696 174.090 -0.653 0.000 1.277 408 c CA -0.596 55.554 56.329 -0.297 0.000 1.787 408 c CB 1.766 44.154 42.510 -0.202 0.000 2.233 408 c HN 0.868 nan 8.230 nan 0.000 0.495 409 M N 0.259 119.608 119.600 -0.417 0.000 2.779 409 M HA 0.708 4.845 4.480 -0.572 0.000 0.277 409 M C -2.353 174.044 176.300 0.161 0.000 1.284 409 M CA -0.286 54.878 55.300 -0.228 0.000 0.801 409 M CB 2.074 34.732 32.600 0.098 0.000 1.712 409 M HN 0.364 nan 8.290 nan 0.000 0.453 410 D N 1.018 121.608 120.400 0.316 0.000 2.505 410 D HA 0.563 4.860 4.640 -0.572 0.000 0.249 410 D C -2.005 174.525 176.300 0.384 0.000 1.082 410 D CA 0.340 54.557 54.000 0.361 0.000 0.839 410 D CB 2.259 43.257 40.800 0.328 0.000 1.317 410 D HN 0.632 nan 8.370 nan 0.000 0.497 411 W N 2.455 123.839 121.300 0.141 0.000 3.259 411 W HA 0.382 4.697 4.660 -0.575 0.000 0.331 411 W C -1.623 174.947 176.519 0.085 0.000 1.144 411 W CA -0.631 56.795 57.345 0.135 0.000 1.227 411 W CB 1.457 31.003 29.460 0.145 0.000 1.371 411 W HN 0.417 nan 8.180 nan 0.000 0.491 412 E N 7.807 128.151 120.200 0.241 0.000 2.274 412 E HA 0.458 4.465 4.350 -0.572 0.000 0.269 412 E C -2.601 174.109 176.600 0.184 0.000 0.891 412 E CA -1.813 54.745 56.400 0.263 0.000 0.784 412 E CB 3.105 32.892 29.700 0.145 0.000 1.225 412 E HN -0.034 nan 8.360 nan 0.000 0.412 413 P HA 0.425 nan 4.420 nan 0.000 0.281 413 P C -1.073 176.357 177.300 0.217 0.000 1.281 413 P CA -0.434 62.772 63.100 0.177 0.000 0.811 413 P CB 0.552 32.413 31.700 0.268 0.000 1.154 414 F N -2.523 117.464 119.950 0.063 0.000 2.678 414 F HA 0.549 4.732 4.527 -0.573 0.000 0.308 414 F C -0.970 174.858 175.800 0.047 0.000 1.118 414 F CA -1.426 56.601 58.000 0.045 0.000 0.959 414 F CB 0.717 39.730 39.000 0.021 0.000 1.305 414 F HN -0.020 nan 8.300 nan 0.000 0.443 415 M N 3.693 123.457 119.600 0.273 0.000 2.255 415 M HA 0.656 4.793 4.480 -0.572 0.000 0.336 415 M C -0.940 175.520 176.300 0.267 0.000 1.135 415 M CA -0.460 54.945 55.300 0.175 0.000 1.145 415 M CB 1.260 33.954 32.600 0.157 0.000 1.473 415 M HN 0.777 nan 8.290 nan 0.000 0.462 416 L N 1.032 122.372 121.223 0.195 0.000 2.789 416 L HA 0.735 4.731 4.340 -0.572 0.000 0.258 416 L C -3.047 173.994 176.870 0.284 0.000 0.966 416 L CA -1.561 53.425 54.840 0.243 0.000 0.916 416 L CB -0.201 42.023 42.059 0.276 0.000 1.475 416 L HN 0.409 nan 8.230 nan 0.000 0.418 417 P HA 0.364 nan 4.420 nan 0.000 0.279 417 P C -1.686 175.743 177.300 0.214 0.000 1.282 417 P CA -0.056 63.167 63.100 0.205 0.000 0.788 417 P CB 0.617 32.374 31.700 0.095 0.000 1.139 418 Y N 0.129 120.348 120.300 -0.134 0.000 2.331 418 Y HA 0.449 4.656 4.550 -0.573 0.000 0.334 418 Y C -0.426 175.295 175.900 -0.299 0.000 0.960 418 Y CA -0.728 57.071 58.100 -0.502 0.000 1.130 418 Y CB 1.368 39.300 38.460 -0.880 0.000 1.164 418 Y HN 0.164 nan 8.280 nan 0.000 0.458 419 R N 5.162 125.045 120.500 -1.030 0.000 2.435 419 R HA 0.566 4.562 4.340 -0.572 0.000 0.308 419 R C -0.710 174.997 176.300 -0.988 0.000 0.975 419 R CA -1.015 54.610 56.100 -0.791 0.000 0.867 419 R CB 1.679 31.755 30.300 -0.373 0.000 1.171 419 R HN 0.863 nan 8.270 nan 0.000 0.470 420 A N 1.726 123.993 122.820 -0.922 0.000 2.515 420 A HA 0.287 4.263 4.320 -0.572 0.000 0.276 420 A C 1.303 178.692 177.584 -0.326 0.000 1.104 420 A CA 1.341 53.071 52.037 -0.510 0.000 0.822 420 A CB -0.740 18.148 19.000 -0.186 0.000 1.016 420 A HN 1.065 nan 8.150 nan 0.000 0.530 421 G N 1.423 110.041 108.800 -0.303 0.000 2.205 421 G HA2 -0.101 3.515 3.960 -0.572 0.000 0.180 421 G HA3 -0.101 3.515 3.960 -0.572 0.000 0.180 421 G C -0.101 174.643 174.900 -0.261 0.000 1.004 421 G CA 0.069 45.029 45.100 -0.233 0.000 0.670 421 G HN 0.809 nan 8.290 nan 0.000 0.496 422 Q N -0.605 119.017 119.800 -0.297 0.000 2.416 422 Q HA 0.684 4.681 4.340 -0.572 0.000 0.279 422 Q C -0.522 175.358 176.000 -0.200 0.000 1.101 422 Q CA -0.934 54.742 55.803 -0.210 0.000 0.830 422 Q CB 1.383 30.035 28.738 -0.144 0.000 1.402 422 Q HN 0.118 nan 8.270 nan 0.000 0.445 423 F N 0.903 120.818 119.950 -0.057 0.000 2.459 423 F HA 0.094 4.278 4.527 -0.572 0.000 0.346 423 F C 0.632 176.492 175.800 0.100 0.000 1.128 423 F CA 0.233 58.221 58.000 -0.019 0.000 1.268 423 F CB 0.337 39.285 39.000 -0.086 0.000 1.161 423 F HN 0.384 nan 8.300 nan 0.000 0.583 424 F N 3.740 123.753 119.950 0.105 0.000 2.577 424 F HA 0.375 4.559 4.527 -0.572 0.000 0.342 424 F C 0.003 175.774 175.800 -0.048 0.000 1.479 424 F CA -0.669 57.367 58.000 0.061 0.000 1.110 424 F CB -0.431 38.663 39.000 0.158 0.000 1.306 424 F HN 0.181 nan 8.300 nan 0.000 0.554 425 V N 0.908 120.715 119.914 -0.178 0.000 2.326 425 V HA 0.246 4.022 4.120 -0.572 0.000 0.237 425 V C 1.750 177.541 176.094 -0.504 0.000 1.044 425 V CA 1.178 63.137 62.300 -0.568 0.000 1.035 425 V CB -1.119 30.154 31.823 -0.917 0.000 0.675 425 V HN 0.646 nan 8.190 nan 0.000 0.470 426 G N 0.302 108.701 108.800 -0.668 0.000 2.248 426 G HA2 0.168 3.785 3.960 -0.572 0.000 0.263 426 G HA3 0.168 3.785 3.960 -0.572 0.000 0.263 426 G C -0.110 174.159 174.900 -1.053 0.000 1.082 426 G CA 0.411 44.781 45.100 -1.216 0.000 0.863 426 G HN 1.390 nan 8.290 nan 0.000 0.495 427 A N -1.120 121.269 122.820 -0.717 0.000 2.594 427 A HA 0.929 4.906 4.320 -0.572 0.000 0.295 427 A C -0.290 177.205 177.584 -0.148 0.000 1.071 427 A CA 0.181 51.987 52.037 -0.386 0.000 0.685 427 A CB 1.555 20.218 19.000 -0.561 0.000 1.285 427 A HN 0.983 nan 8.150 nan 0.000 0.405 428 T N 1.859 116.357 114.554 -0.092 0.000 2.809 428 T HA 0.614 4.621 4.350 -0.572 0.000 0.284 428 T C -0.901 173.749 174.700 -0.084 0.000 0.992 428 T CA -0.162 61.933 62.100 -0.008 0.000 0.957 428 T CB 0.550 69.468 68.868 0.084 0.000 0.942 428 T HN 0.436 nan 8.240 nan 0.000 0.439 429 L N 1.980 123.193 121.223 -0.017 0.000 2.283 429 L HA 0.970 4.966 4.340 -0.572 0.000 0.259 429 L C -0.231 176.715 176.870 0.127 0.000 1.027 429 L CA -1.074 53.802 54.840 0.061 0.000 0.828 429 L CB 1.525 43.647 42.059 0.104 0.000 1.380 429 L HN 0.759 nan 8.230 nan 0.000 0.425 430 A N 1.527 124.454 122.820 0.179 0.000 2.398 430 A HA 0.908 4.885 4.320 -0.572 0.000 0.301 430 A C -0.984 176.732 177.584 0.219 0.000 1.041 430 A CA -0.427 51.741 52.037 0.219 0.000 0.711 430 A CB 1.204 20.357 19.000 0.254 0.000 1.240 430 A HN 0.636 nan 8.150 nan 0.000 0.420 431 M N 1.863 121.558 119.600 0.159 0.000 2.598 431 M HA 0.748 4.885 4.480 -0.572 0.000 0.317 431 M C -0.983 175.357 176.300 0.067 0.000 1.179 431 M CA -0.599 54.673 55.300 -0.046 0.000 0.936 431 M CB 2.071 34.655 32.600 -0.026 0.000 1.713 431 M HN 0.825 nan 8.290 nan 0.000 0.460 432 Y N -1.063 119.248 120.300 0.019 0.000 2.713 432 Y HA 0.677 4.880 4.550 -0.578 0.000 0.335 432 Y C -3.205 172.677 175.900 -0.029 0.000 1.222 432 Y CA -2.788 55.297 58.100 -0.024 0.000 1.061 432 Y CB -0.299 38.161 38.460 0.000 0.000 1.314 432 Y HN 0.361 nan 8.280 nan 0.000 0.453 433 P HA 0.235 nan 4.420 nan 0.000 0.271 433 P C 0.360 177.719 177.300 0.097 0.000 1.218 433 P CA 0.417 63.552 63.100 0.059 0.000 0.780 433 P CB 0.837 32.557 31.700 0.034 0.000 0.901 434 G N 2.648 111.427 108.800 -0.035 0.000 2.683 434 G HA2 0.207 3.823 3.960 -0.572 0.000 0.260 434 G HA3 0.207 3.823 3.960 -0.572 0.000 0.260 434 G C -1.558 173.396 174.900 0.090 0.000 1.238 434 G CA -0.846 44.125 45.100 -0.216 0.000 0.934 434 G HN 0.363 nan 8.290 nan 0.000 0.534 435 P HA 0.020 nan 4.420 nan 0.000 0.245 435 P C 0.617 178.032 177.300 0.192 0.000 1.203 435 P CA 0.561 63.762 63.100 0.168 0.000 0.792 435 P CB 0.369 32.143 31.700 0.124 0.000 0.997 436 N N -0.117 118.846 118.700 0.439 0.000 2.398 436 N HA 0.092 4.488 4.740 -0.572 0.000 0.188 436 N C 1.170 176.444 175.510 -0.392 0.000 1.122 436 N CA -0.217 52.889 53.050 0.093 0.000 0.866 436 N CB -0.069 38.541 38.487 0.205 0.000 0.970 436 N HN 0.090 nan 8.380 nan 0.000 0.462 437 G N 1.669 110.112 108.800 -0.595 0.000 2.484 437 G HA2 0.039 3.656 3.960 -0.572 0.000 0.235 437 G HA3 0.039 3.656 3.960 -0.572 0.000 0.235 437 G C -1.586 172.820 174.900 -0.824 0.000 1.282 437 G CA -0.848 43.478 45.100 -1.290 0.000 0.857 437 G HN 0.001 nan 8.290 nan 0.000 0.571 438 P HA -0.040 nan 4.420 nan 0.000 0.223 438 P C 1.452 178.566 177.300 -0.309 0.000 1.144 438 P CA 1.807 64.604 63.100 -0.506 0.000 0.783 438 P CB 0.340 31.763 31.700 -0.460 0.000 0.771 439 T N -6.719 107.659 114.554 -0.293 0.000 3.275 439 T HA 0.373 4.380 4.350 -0.572 0.000 0.298 439 T C 0.551 175.161 174.700 -0.151 0.000 0.988 439 T CA -0.510 61.483 62.100 -0.178 0.000 0.936 439 T CB -0.181 68.604 68.868 -0.139 0.000 1.159 439 T HN -0.276 nan 8.240 nan 0.000 0.519 440 K N -0.016 120.275 120.400 -0.181 0.000 3.426 440 K HA -0.174 3.802 4.320 -0.572 0.000 0.315 440 K C 0.924 177.479 176.600 -0.076 0.000 1.293 440 K CA 1.433 57.656 56.287 -0.106 0.000 0.955 440 K CB -1.533 30.930 32.500 -0.062 0.000 1.238 440 K HN 0.430 nan 8.250 nan 0.000 0.441 441 K N 0.407 120.738 120.400 -0.114 0.000 2.350 441 K HA 0.128 4.105 4.320 -0.572 0.000 0.196 441 K C -0.318 176.215 176.600 -0.111 0.000 1.084 441 K CA 0.234 56.458 56.287 -0.106 0.000 0.967 441 K CB 0.377 32.803 32.500 -0.123 0.000 0.950 441 K HN 0.146 nan 8.250 nan 0.000 0.512 442 E N 0.534 120.669 120.200 -0.108 0.000 2.442 442 E HA -0.042 3.964 4.350 -0.572 0.000 0.262 442 E C 0.286 176.970 176.600 0.139 0.000 1.004 442 E CA 0.762 57.165 56.400 0.005 0.000 0.928 442 E CB 0.334 30.106 29.700 0.120 0.000 0.937 442 E HN 0.132 nan 8.360 nan 0.000 0.446 443 M N 1.109 120.776 119.600 0.111 0.000 2.347 443 M HA 0.301 4.438 4.480 -0.572 0.000 0.302 443 M C 0.401 176.834 176.300 0.222 0.000 1.051 443 M CA -0.056 55.337 55.300 0.155 0.000 0.988 443 M CB 1.033 33.627 32.600 -0.010 0.000 1.475 443 M HN 0.491 nan 8.290 nan 0.000 0.530 444 G N 0.766 109.697 108.800 0.219 0.000 2.690 444 G HA2 0.768 4.385 3.960 -0.572 0.000 0.293 444 G HA3 0.768 4.385 3.960 -0.572 0.000 0.293 444 G C -1.666 173.182 174.900 -0.087 0.000 1.399 444 G CA -0.350 44.816 45.100 0.110 0.000 0.890 444 G HN 0.236 nan 8.290 nan 0.000 0.485 445 Q N -0.031 119.623 119.800 -0.244 0.000 2.391 445 Q HA 0.480 4.477 4.340 -0.572 0.000 0.279 445 Q C -1.247 174.572 176.000 -0.301 0.000 1.028 445 Q CA -0.894 54.630 55.803 -0.465 0.000 0.836 445 Q CB 2.882 31.089 28.738 -0.886 0.000 1.414 445 Q HN 0.397 nan 8.270 nan 0.000 0.397 446 I N 1.833 122.235 120.570 -0.278 0.000 2.354 446 I HA 0.460 4.287 4.170 -0.572 0.000 0.286 446 I C -0.471 175.507 176.117 -0.232 0.000 1.007 446 I CA -0.248 60.924 61.300 -0.214 0.000 1.167 446 I CB 1.065 38.956 38.000 -0.182 0.000 1.320 446 I HN 0.581 nan 8.210 nan 0.000 0.458 447 R N 4.373 124.682 120.500 -0.319 0.000 2.599 447 R HA 0.781 4.778 4.340 -0.572 0.000 0.295 447 R C -0.815 174.981 176.300 -0.840 0.000 0.963 447 R CA -0.520 55.219 56.100 -0.602 0.000 0.883 447 R CB 2.056 32.009 30.300 -0.578 0.000 1.171 447 R HN 0.729 nan 8.270 nan 0.000 0.450 448 A N 4.287 126.347 122.820 -1.267 0.000 2.290 448 A HA 0.606 4.582 4.320 -0.572 0.000 0.310 448 A C -1.236 175.726 177.584 -1.037 0.000 1.202 448 A CA -0.328 51.013 52.037 -1.160 0.000 0.837 448 A CB 0.291 18.321 19.000 -1.617 0.000 1.139 448 A HN 0.581 nan 8.150 nan 0.000 0.509 449 F N 0.576 120.261 119.950 -0.440 0.000 2.561 449 F HA 0.372 4.559 4.527 -0.567 0.000 0.321 449 F C 0.265 175.922 175.800 -0.239 0.000 1.065 449 F CA -0.678 57.148 58.000 -0.291 0.000 0.934 449 F CB 1.870 40.737 39.000 -0.221 0.000 1.215 449 F HN 0.554 nan 8.300 nan 0.000 0.471 450 D N 2.468 122.905 120.400 0.062 0.000 2.317 450 D HA 0.235 4.532 4.640 -0.572 0.000 0.234 450 D C 0.696 177.013 176.300 0.028 0.000 1.112 450 D CA -0.009 54.001 54.000 0.017 0.000 0.840 450 D CB 1.221 42.022 40.800 0.001 0.000 1.078 450 D HN 0.539 nan 8.370 nan 0.000 0.486 451 L N 2.792 124.020 121.223 0.010 0.000 2.291 451 L HA -0.085 3.912 4.340 -0.572 0.000 0.214 451 L C 2.387 179.218 176.870 -0.065 0.000 1.120 451 L CA 1.035 55.847 54.840 -0.047 0.000 0.799 451 L CB -0.266 41.752 42.059 -0.068 0.000 0.925 451 L HN 0.486 nan 8.230 nan 0.000 0.446 452 T N -5.284 109.245 114.554 -0.042 0.000 3.054 452 T HA -0.070 3.937 4.350 -0.572 0.000 0.259 452 T C 1.694 176.367 174.700 -0.046 0.000 1.092 452 T CA 1.021 63.091 62.100 -0.049 0.000 1.121 452 T CB -0.149 68.697 68.868 -0.036 0.000 0.912 452 T HN 0.363 nan 8.240 nan 0.000 0.489 453 T N -2.532 112.003 114.554 -0.032 0.000 2.990 453 T HA 0.445 4.451 4.350 -0.572 0.000 0.250 453 T C 1.923 176.606 174.700 -0.028 0.000 1.041 453 T CA 0.804 62.887 62.100 -0.027 0.000 1.010 453 T CB -0.363 68.497 68.868 -0.013 0.000 1.003 453 T HN 0.909 nan 8.240 nan 0.000 0.499 454 G N 2.106 110.889 108.800 -0.028 0.000 2.168 454 G HA2 -0.238 3.378 3.960 -0.572 0.000 0.257 454 G HA3 -0.238 3.378 3.960 -0.572 0.000 0.257 454 G C -0.082 174.874 174.900 0.094 0.000 0.997 454 G CA 0.368 45.441 45.100 -0.046 0.000 0.708 454 G HN 0.676 nan 8.290 nan 0.000 0.520 455 K N 0.115 120.586 120.400 0.117 0.000 2.110 455 K HA 0.691 4.668 4.320 -0.572 0.000 0.263 455 K C 0.308 176.955 176.600 0.078 0.000 0.975 455 K CA -0.007 56.345 56.287 0.108 0.000 0.895 455 K CB 1.931 34.445 32.500 0.023 0.000 1.060 455 K HN 0.453 nan 8.250 nan 0.000 0.448 456 A N 2.466 125.238 122.820 -0.080 0.000 2.301 456 A HA 0.185 4.161 4.320 -0.572 0.000 0.298 456 A C 0.635 178.029 177.584 -0.316 0.000 1.185 456 A CA -0.406 51.359 52.037 -0.452 0.000 0.830 456 A CB 0.379 19.050 19.000 -0.550 0.000 1.112 456 A HN 0.774 nan 8.150 nan 0.000 0.508 457 K N 2.057 122.215 120.400 -0.403 0.000 2.166 457 K HA 0.095 4.071 4.320 -0.572 0.000 0.201 457 K C 0.165 176.734 176.600 -0.051 0.000 1.052 457 K CA 0.925 57.093 56.287 -0.199 0.000 0.969 457 K CB 0.213 32.617 32.500 -0.162 0.000 0.761 457 K HN 0.895 nan 8.250 nan 0.000 0.459 458 W N -0.510 120.682 121.300 -0.180 0.000 3.066 458 W HA 0.421 4.726 4.660 -0.592 0.000 0.330 458 W C -1.677 174.718 176.519 -0.206 0.000 1.253 458 W CA -0.806 56.453 57.345 -0.143 0.000 1.187 458 W CB 0.786 30.198 29.460 -0.080 0.000 1.434 458 W HN -0.393 nan 8.180 nan 0.000 0.572 459 T N 2.725 117.447 114.554 0.279 0.000 2.916 459 T HA 0.296 4.303 4.350 -0.572 0.000 0.298 459 T C -0.940 173.843 174.700 0.138 0.000 1.031 459 T CA -0.624 61.514 62.100 0.063 0.000 0.993 459 T CB 2.221 70.979 68.868 -0.184 0.000 1.045 459 T HN 0.276 nan 8.240 nan 0.000 0.454 460 K N 2.593 123.033 120.400 0.066 0.000 2.358 460 K HA 0.337 4.314 4.320 -0.572 0.000 0.260 460 K C -1.408 175.140 176.600 -0.085 0.000 0.956 460 K CA -0.669 55.656 56.287 0.064 0.000 0.834 460 K CB 1.040 33.612 32.500 0.121 0.000 1.102 460 K HN 0.589 nan 8.250 nan 0.000 0.431 461 W N 2.239 123.544 121.300 0.008 0.000 2.313 461 W HA 0.280 4.909 4.660 -0.052 0.000 0.328 461 W C 0.734 177.263 176.519 0.016 0.000 1.197 461 W CA -0.187 57.146 57.345 -0.020 0.000 1.235 461 W CB 0.913 30.341 29.460 -0.054 0.000 1.158 461 W HN 0.287 nan 8.180 nan 0.000 0.578 462 E N 1.264 121.630 120.200 0.276 0.000 2.317 462 E HA 0.097 4.103 4.350 -0.572 0.000 0.270 462 E C 0.596 177.308 176.600 0.186 0.000 0.885 462 E CA -0.757 55.778 56.400 0.224 0.000 0.760 462 E CB 2.243 32.085 29.700 0.237 0.000 1.227 462 E HN 0.442 nan 8.360 nan 0.000 0.434 463 K N 1.546 122.016 120.400 0.116 0.000 2.057 463 K HA -0.041 3.936 4.320 -0.572 0.000 0.207 463 K C 0.004 176.430 176.600 -0.290 0.000 1.049 463 K CA 1.329 57.555 56.287 -0.101 0.000 0.931 463 K CB 0.165 32.569 32.500 -0.160 0.000 0.714 463 K HN 0.215 nan 8.250 nan 0.000 0.440 464 F N -0.137 119.893 119.950 0.134 0.000 2.594 464 F HA 0.453 4.645 4.527 -0.558 0.000 0.335 464 F C 0.178 176.151 175.800 0.288 0.000 1.058 464 F CA -1.140 56.987 58.000 0.212 0.000 0.981 464 F CB 0.954 40.106 39.000 0.253 0.000 1.289 464 F HN -0.066 nan 8.300 nan 0.000 0.490 465 A N 0.685 123.877 122.820 0.620 0.000 2.561 465 A HA 0.395 4.371 4.320 -0.572 0.000 0.234 465 A C 0.108 177.971 177.584 0.464 0.000 1.055 465 A CA 0.178 52.531 52.037 0.528 0.000 0.756 465 A CB -0.548 18.882 19.000 0.717 0.000 0.986 465 A HN 0.946 nan 8.150 nan 0.000 0.505 466 A N 2.673 125.691 122.820 0.329 0.000 3.078 466 A HA 0.292 4.269 4.320 -0.572 0.000 0.279 466 A C 0.786 178.534 177.584 0.273 0.000 1.594 466 A CA -0.505 51.687 52.037 0.259 0.000 1.301 466 A CB -0.650 18.390 19.000 0.067 0.000 1.162 466 A HN 1.037 nan 8.150 nan 0.000 0.585 467 W N 1.883 123.275 121.300 0.153 0.000 2.388 467 W HA -0.120 4.193 4.660 -0.579 0.000 0.294 467 W C 1.642 178.258 176.519 0.162 0.000 1.212 467 W CA 1.759 59.192 57.345 0.147 0.000 1.271 467 W CB 0.063 29.624 29.460 0.168 0.000 1.126 467 W HN 0.692 nan 8.180 nan 0.000 0.535 468 G N -0.207 108.802 108.800 0.348 0.000 2.408 468 G HA2 0.276 3.892 3.960 -0.572 0.000 0.215 468 G HA3 0.276 3.892 3.960 -0.572 0.000 0.215 468 G C 0.592 175.591 174.900 0.166 0.000 1.156 468 G CA 1.051 46.324 45.100 0.288 0.000 0.793 468 G HN 0.493 nan 8.290 nan 0.000 0.535 469 G N -1.677 107.211 108.800 0.147 0.000 2.318 469 G HA2 0.444 4.061 3.960 -0.572 0.000 0.367 469 G HA3 0.444 4.061 3.960 -0.572 0.000 0.367 469 G C -0.368 174.658 174.900 0.210 0.000 1.260 469 G CA 0.272 45.429 45.100 0.094 0.000 1.055 469 G HN 1.338 nan 8.290 nan 0.000 0.484 470 T N -2.489 112.199 114.554 0.223 0.000 2.883 470 T HA 0.778 4.785 4.350 -0.572 0.000 0.301 470 T C -1.062 173.939 174.700 0.503 0.000 1.158 470 T CA -0.073 62.249 62.100 0.369 0.000 1.007 470 T CB 2.025 71.098 68.868 0.343 0.000 1.186 470 T HN 2.088 nan 8.240 nan 0.000 0.499 471 L N 1.458 123.029 121.223 0.580 0.000 2.370 471 L HA 0.853 4.850 4.340 -0.572 0.000 0.266 471 L C -1.938 175.259 176.870 0.545 0.000 1.002 471 L CA -0.963 54.240 54.840 0.604 0.000 0.818 471 L CB 2.109 44.403 42.059 0.390 0.000 1.325 471 L HN 0.887 nan 8.230 nan 0.000 0.418 472 Y N 2.592 123.119 120.300 0.378 0.000 2.350 472 Y HA 0.685 4.890 4.550 -0.574 0.000 0.338 472 Y C -0.651 175.409 175.900 0.267 0.000 0.961 472 Y CA -0.335 57.946 58.100 0.301 0.000 1.100 472 Y CB 1.691 40.343 38.460 0.321 0.000 1.179 472 Y HN 0.793 nan 8.280 nan 0.000 0.454 473 T N 1.950 116.105 114.554 -0.665 0.000 2.863 473 T HA 0.268 4.275 4.350 -0.572 0.000 0.285 473 T C 0.666 174.924 174.700 -0.737 0.000 1.009 473 T CA -1.028 60.828 62.100 -0.407 0.000 0.989 473 T CB 1.853 70.685 68.868 -0.061 0.000 1.004 473 T HN 0.765 nan 8.240 nan 0.000 0.455 474 K N 1.891 122.111 120.400 -0.301 0.000 2.442 474 K HA -0.052 3.925 4.320 -0.572 0.000 0.200 474 K C 1.984 178.555 176.600 -0.048 0.000 1.045 474 K CA 1.459 57.706 56.287 -0.067 0.000 0.937 474 K CB -0.789 31.741 32.500 0.051 0.000 0.757 474 K HN 0.864 nan 8.250 nan 0.000 0.474 475 G N -0.559 108.179 108.800 -0.104 0.000 2.776 475 G HA2 0.027 3.644 3.960 -0.572 0.000 0.209 475 G HA3 0.027 3.644 3.960 -0.572 0.000 0.209 475 G C 0.758 175.628 174.900 -0.050 0.000 1.145 475 G CA 0.330 45.398 45.100 -0.052 0.000 0.791 475 G HN 0.476 nan 8.290 nan 0.000 0.530 476 G N -1.084 107.679 108.800 -0.062 0.000 2.140 476 G HA2 -0.156 3.461 3.960 -0.572 0.000 0.211 476 G HA3 -0.156 3.461 3.960 -0.572 0.000 0.211 476 G C -0.195 174.685 174.900 -0.032 0.000 1.013 476 G CA -0.143 44.992 45.100 0.058 0.000 0.705 476 G HN 0.298 nan 8.290 nan 0.000 0.508 477 L N -0.102 120.997 121.223 -0.207 0.000 2.354 477 L HA 0.843 4.840 4.340 -0.572 0.000 0.269 477 L C 0.224 176.921 176.870 -0.288 0.000 1.005 477 L CA -1.461 53.180 54.840 -0.333 0.000 0.819 477 L CB 1.774 43.491 42.059 -0.570 0.000 1.311 477 L HN 0.416 nan 8.230 nan 0.000 0.423 478 V N 2.040 121.783 119.914 -0.285 0.000 2.326 478 V HA 0.500 4.277 4.120 -0.572 0.000 0.281 478 V C -1.396 174.677 176.094 -0.035 0.000 1.015 478 V CA -0.395 61.865 62.300 -0.066 0.000 0.823 478 V CB 0.995 32.740 31.823 -0.130 0.000 1.009 478 V HN 0.694 nan 8.190 nan 0.000 0.436 479 W N 7.703 129.108 121.300 0.176 0.000 2.338 479 W HA 0.686 5.005 4.660 -0.568 0.000 0.307 479 W C -0.395 176.323 176.519 0.331 0.000 1.167 479 W CA -0.248 57.205 57.345 0.179 0.000 1.208 479 W CB 1.027 30.527 29.460 0.067 0.000 1.228 479 W HN 0.766 nan 8.180 nan 0.000 0.499 480 Y N 0.693 121.202 120.300 0.349 0.000 2.609 480 Y HA 0.848 5.053 4.550 -0.575 0.000 0.336 480 Y C -1.024 175.049 175.900 0.288 0.000 1.129 480 Y CA -2.608 55.669 58.100 0.295 0.000 1.040 480 Y CB 0.505 39.109 38.460 0.240 0.000 1.310 480 Y HN 0.501 nan 8.280 nan 0.000 0.460 481 A N 1.602 124.623 122.820 0.335 0.000 2.325 481 A HA 0.806 4.782 4.320 -0.572 0.000 0.333 481 A C -0.145 177.643 177.584 0.339 0.000 1.155 481 A CA -0.136 52.056 52.037 0.258 0.000 0.814 481 A CB 0.772 19.942 19.000 0.284 0.000 1.206 481 A HN 1.232 nan 8.150 nan 0.000 0.482 482 T N -0.432 114.291 114.554 0.281 0.000 2.932 482 T HA 0.524 4.530 4.350 -0.572 0.000 0.289 482 T C 0.891 175.740 174.700 0.248 0.000 1.039 482 T CA -0.708 61.590 62.100 0.329 0.000 1.024 482 T CB 0.735 69.812 68.868 0.349 0.000 1.090 482 T HN 0.377 nan 8.240 nan 0.000 0.496 483 L N 0.826 122.185 121.223 0.226 0.000 2.191 483 L HA -0.006 3.991 4.340 -0.572 0.000 0.212 483 L C 2.119 178.970 176.870 -0.030 0.000 1.103 483 L CA 1.447 56.331 54.840 0.074 0.000 0.769 483 L CB -0.404 41.667 42.059 0.021 0.000 0.908 483 L HN 0.820 nan 8.230 nan 0.000 0.438 484 D N -0.703 119.719 120.400 0.037 0.000 2.328 484 D HA 0.003 4.300 4.640 -0.572 0.000 0.226 484 D C 1.300 177.652 176.300 0.086 0.000 1.066 484 D CA 0.853 54.877 54.000 0.040 0.000 0.861 484 D CB 0.400 41.277 40.800 0.128 0.000 0.912 484 D HN 0.281 nan 8.370 nan 0.000 0.521 485 G N -0.233 108.605 108.800 0.063 0.000 2.134 485 G HA2 -0.230 3.386 3.960 -0.572 0.000 0.209 485 G HA3 -0.230 3.386 3.960 -0.572 0.000 0.209 485 G C -0.467 174.328 174.900 -0.175 0.000 0.993 485 G CA -0.254 44.812 45.100 -0.058 0.000 0.669 485 G HN 0.354 nan 8.290 nan 0.000 0.519 486 Y N -1.454 118.861 120.300 0.025 0.000 2.549 486 Y HA 0.765 4.975 4.550 -0.566 0.000 0.339 486 Y C 0.199 176.092 175.900 -0.012 0.000 1.053 486 Y CA -1.292 56.792 58.100 -0.026 0.000 1.105 486 Y CB 1.891 40.297 38.460 -0.090 0.000 1.258 486 Y HN 0.221 nan 8.280 nan 0.000 0.478 487 L N 3.064 124.382 121.223 0.159 0.000 2.313 487 L HA 0.571 4.568 4.340 -0.572 0.000 0.283 487 L C -1.260 175.650 176.870 0.067 0.000 1.013 487 L CA -0.521 54.399 54.840 0.133 0.000 0.816 487 L CB 0.777 42.944 42.059 0.181 0.000 1.236 487 L HN 0.568 nan 8.230 nan 0.000 0.419 488 K N 4.180 124.528 120.400 -0.087 0.000 2.395 488 K HA 0.901 4.878 4.320 -0.572 0.000 0.247 488 K C -1.407 175.149 176.600 -0.074 0.000 0.973 488 K CA -1.032 55.169 56.287 -0.145 0.000 0.828 488 K CB 2.225 34.441 32.500 -0.473 0.000 1.272 488 K HN 0.613 nan 8.250 nan 0.000 0.439 489 A N 2.811 125.564 122.820 -0.112 0.000 2.332 489 A HA 0.578 4.555 4.320 -0.572 0.000 0.300 489 A C -0.880 176.531 177.584 -0.287 0.000 1.153 489 A CA -0.734 50.987 52.037 -0.526 0.000 0.764 489 A CB 0.440 18.754 19.000 -1.142 0.000 1.174 489 A HN 0.595 nan 8.150 nan 0.000 0.467 490 L N 1.206 122.279 121.223 -0.249 0.000 2.334 490 L HA 0.451 4.448 4.340 -0.572 0.000 0.272 490 L C -0.168 176.559 176.870 -0.240 0.000 1.020 490 L CA -1.099 53.636 54.840 -0.176 0.000 0.812 490 L CB 1.488 43.507 42.059 -0.066 0.000 1.264 490 L HN 0.669 nan 8.230 nan 0.000 0.439 491 D N 1.528 121.784 120.400 -0.239 0.000 2.339 491 D HA -0.041 4.256 4.640 -0.572 0.000 0.256 491 D C 1.020 177.192 176.300 -0.214 0.000 1.214 491 D CA -0.134 53.741 54.000 -0.208 0.000 0.877 491 D CB 0.830 41.511 40.800 -0.199 0.000 1.111 491 D HN 0.578 nan 8.370 nan 0.000 0.478 492 N N 4.716 123.372 118.700 -0.074 0.000 2.205 492 N HA -0.249 4.147 4.740 -0.572 0.000 0.186 492 N C 1.102 176.763 175.510 0.251 0.000 1.015 492 N CA 1.109 54.215 53.050 0.093 0.000 0.862 492 N CB -0.100 38.461 38.487 0.122 0.000 0.986 492 N HN 0.182 nan 8.380 nan 0.000 0.429 493 K N 0.878 121.318 120.400 0.067 0.000 2.020 493 K HA -0.133 3.844 4.320 -0.572 0.000 0.212 493 K C 1.005 177.507 176.600 -0.164 0.000 1.050 493 K CA 2.079 58.396 56.287 0.050 0.000 0.929 493 K CB -0.296 32.193 32.500 -0.018 0.000 0.714 493 K HN 0.675 nan 8.250 nan 0.000 0.443 494 D N -3.676 116.407 120.400 -0.529 0.000 2.520 494 D HA 0.184 4.481 4.640 -0.572 0.000 0.223 494 D C 0.772 176.241 176.300 -1.386 0.000 1.186 494 D CA 0.544 54.059 54.000 -0.808 0.000 0.821 494 D CB 0.123 40.708 40.800 -0.358 0.000 1.072 494 D HN 0.172 nan 8.370 nan 0.000 0.518 495 G N 1.571 109.380 108.800 -1.652 0.000 2.143 495 G HA2 -0.324 3.292 3.960 -0.572 0.000 0.248 495 G HA3 -0.324 3.292 3.960 -0.572 0.000 0.248 495 G C 0.008 174.547 174.900 -0.603 0.000 0.991 495 G CA 0.330 44.510 45.100 -1.534 0.000 0.689 495 G HN 0.701 nan 8.290 nan 0.000 0.522 496 K N 0.234 120.373 120.400 -0.436 0.000 2.218 496 K HA 0.588 4.564 4.320 -0.572 0.000 0.276 496 K C -0.036 176.456 176.600 -0.179 0.000 1.022 496 K CA -0.680 55.464 56.287 -0.239 0.000 0.946 496 K CB 1.700 34.088 32.500 -0.187 0.000 1.000 496 K HN 0.198 nan 8.250 nan 0.000 0.468 497 E N 2.354 122.484 120.200 -0.116 0.000 2.265 497 E HA -0.009 3.997 4.350 -0.572 0.000 0.272 497 E C 0.002 176.556 176.600 -0.077 0.000 1.067 497 E CA -0.297 56.051 56.400 -0.086 0.000 0.900 497 E CB 0.611 30.269 29.700 -0.071 0.000 1.017 497 E HN 0.482 nan 8.360 nan 0.000 0.431 498 L N 4.758 125.940 121.223 -0.069 0.000 2.515 498 L HA 0.246 4.242 4.340 -0.572 0.000 0.223 498 L C -0.310 176.624 176.870 0.107 0.000 1.079 498 L CA 0.514 55.339 54.840 -0.025 0.000 0.857 498 L CB -0.063 41.941 42.059 -0.091 0.000 1.050 498 L HN 0.584 nan 8.230 nan 0.000 0.476 499 W N -0.355 120.847 121.300 -0.164 0.000 3.173 499 W HA 0.390 4.706 4.660 -0.573 0.000 0.313 499 W C -1.660 174.791 176.519 -0.114 0.000 1.228 499 W CA -0.986 56.290 57.345 -0.114 0.000 1.185 499 W CB 0.702 30.087 29.460 -0.124 0.000 1.390 499 W HN 0.087 nan 8.180 nan 0.000 0.568 500 N N 1.984 120.163 118.700 -0.868 0.000 3.046 500 N HA 0.685 5.082 4.740 -0.572 0.000 0.243 500 N C -2.273 172.550 175.510 -1.147 0.000 1.452 500 N CA -0.719 51.835 53.050 -0.827 0.000 0.882 500 N CB 1.977 40.246 38.487 -0.363 0.000 1.425 500 N HN 0.468 nan 8.380 nan 0.000 0.517 501 F N -0.327 119.171 119.950 -0.754 0.000 2.615 501 F HA 0.519 4.702 4.527 -0.573 0.000 0.312 501 F C -1.196 174.504 175.800 -0.167 0.000 1.119 501 F CA -0.760 56.976 58.000 -0.441 0.000 0.979 501 F CB 1.798 40.568 39.000 -0.385 0.000 1.266 501 F HN 0.650 nan 8.300 nan 0.000 0.444 502 K N 6.957 126.844 120.400 -0.856 0.000 2.273 502 K HA 0.411 4.388 4.320 -0.572 0.000 0.287 502 K C -0.819 175.403 176.600 -0.629 0.000 1.089 502 K CA -0.042 55.694 56.287 -0.919 0.000 0.909 502 K CB 0.270 32.224 32.500 -0.909 0.000 1.123 502 K HN 0.715 nan 8.250 nan 0.000 0.473 503 M N 5.964 125.405 119.600 -0.264 0.000 2.283 503 M HA 0.227 4.363 4.480 -0.572 0.000 0.314 503 M C -1.347 174.773 176.300 -0.300 0.000 1.153 503 M CA -2.151 53.079 55.300 -0.117 0.000 1.084 503 M CB 0.624 33.229 32.600 0.008 0.000 1.468 503 M HN 0.404 nan 8.290 nan 0.000 0.474 504 P HA -0.069 nan 4.420 nan 0.000 0.215 504 P C 0.084 177.278 177.300 -0.176 0.000 1.153 504 P CA 1.094 63.981 63.100 -0.356 0.000 0.853 504 P CB 0.263 31.667 31.700 -0.493 0.000 0.788 505 S N -2.427 113.222 115.700 -0.084 0.000 2.627 505 S HA 0.644 4.770 4.470 -0.572 0.000 0.283 505 S C -0.018 174.635 174.600 0.088 0.000 1.127 505 S CA -0.685 57.546 58.200 0.052 0.000 0.863 505 S CB 0.921 64.226 63.200 0.176 0.000 1.121 505 S HN 0.091 nan 8.310 nan 0.000 0.479 506 G N 0.421 109.261 108.800 0.067 0.000 2.630 506 G HA2 0.457 4.073 3.960 -0.572 0.000 0.236 506 G HA3 0.457 4.073 3.960 -0.572 0.000 0.236 506 G C 0.223 175.226 174.900 0.171 0.000 1.248 506 G CA 0.072 45.227 45.100 0.092 0.000 0.844 506 G HN 0.872 nan 8.290 nan 0.000 0.588 507 G N -0.739 108.185 108.800 0.208 0.000 2.415 507 G HA2 0.506 4.123 3.960 -0.572 0.000 0.327 507 G HA3 0.506 4.123 3.960 -0.572 0.000 0.327 507 G C 0.483 175.555 174.900 0.286 0.000 1.182 507 G CA -0.576 44.680 45.100 0.261 0.000 0.924 507 G HN 1.035 nan 8.290 nan 0.000 0.470 508 I N 0.313 121.070 120.570 0.312 0.000 4.081 508 I HA 0.474 4.301 4.170 -0.572 0.000 0.333 508 I C 0.714 177.088 176.117 0.427 0.000 1.413 508 I CA -0.570 60.971 61.300 0.401 0.000 1.110 508 I CB 0.791 39.017 38.000 0.377 0.000 1.082 508 I HN 0.426 nan 8.210 nan 0.000 0.402 509 G N 0.428 109.447 108.800 0.364 0.000 2.887 509 G HA2 0.602 4.219 3.960 -0.572 0.000 0.277 509 G HA3 0.602 4.219 3.960 -0.572 0.000 0.277 509 G C -1.304 173.779 174.900 0.304 0.000 1.346 509 G CA -0.570 44.743 45.100 0.354 0.000 1.058 509 G HN 0.082 nan 8.290 nan 0.000 0.535 510 S N -0.225 115.635 115.700 0.267 0.000 2.537 510 S HA 0.722 4.848 4.470 -0.572 0.000 0.301 510 S C -2.521 172.250 174.600 0.285 0.000 1.092 510 S CA -1.194 57.156 58.200 0.249 0.000 1.048 510 S CB 1.718 64.957 63.200 0.065 0.000 1.053 510 S HN 0.265 nan 8.310 nan 0.000 0.501 511 P HA 0.354 nan 4.420 nan 0.000 0.272 511 P C -0.903 176.379 177.300 -0.029 0.000 1.240 511 P CA -0.302 62.875 63.100 0.128 0.000 0.791 511 P CB 0.435 32.215 31.700 0.133 0.000 0.978 512 M N -1.325 118.074 119.600 -0.335 0.000 2.667 512 M HA 0.807 4.944 4.480 -0.572 0.000 0.286 512 M C -0.587 175.255 176.300 -0.765 0.000 1.270 512 M CA -0.443 54.276 55.300 -0.968 0.000 0.826 512 M CB 1.547 33.364 32.600 -1.304 0.000 1.743 512 M HN 0.099 nan 8.290 nan 0.000 0.460 513 T N 0.471 114.522 114.554 -0.840 0.000 2.900 513 T HA 0.859 4.865 4.350 -0.572 0.000 0.303 513 T C -2.125 172.550 174.700 -0.041 0.000 1.142 513 T CA -0.408 61.470 62.100 -0.370 0.000 1.007 513 T CB 1.142 69.794 68.868 -0.360 0.000 1.156 513 T HN 1.048 nan 8.240 nan 0.000 0.490 514 Y N -0.552 119.707 120.300 -0.068 0.000 2.725 514 Y HA 0.823 5.029 4.550 -0.573 0.000 0.333 514 Y C -1.033 174.958 175.900 0.151 0.000 1.242 514 Y CA -1.116 57.028 58.100 0.073 0.000 1.059 514 Y CB 1.042 39.546 38.460 0.074 0.000 1.306 514 Y HN 0.509 nan 8.280 nan 0.000 0.454 515 S N 1.343 117.226 115.700 0.306 0.000 2.513 515 S HA 0.776 4.902 4.470 -0.572 0.000 0.299 515 S C -2.157 172.732 174.600 0.481 0.000 1.087 515 S CA -0.543 57.803 58.200 0.244 0.000 1.012 515 S CB 0.902 64.193 63.200 0.151 0.000 1.044 515 S HN 0.682 nan 8.310 nan 0.000 0.485 516 F N 4.564 124.684 119.950 0.282 0.000 2.607 516 F HA 0.436 4.619 4.527 -0.573 0.000 0.322 516 F C -0.330 175.592 175.800 0.203 0.000 1.176 516 F CA -0.779 57.378 58.000 0.260 0.000 0.977 516 F CB 0.933 40.103 39.000 0.283 0.000 1.242 516 F HN 0.558 nan 8.300 nan 0.000 0.465 517 K N 4.635 124.663 120.400 -0.619 0.000 3.311 517 K HA -0.194 3.783 4.320 -0.572 0.000 0.270 517 K C 0.846 177.335 176.600 -0.184 0.000 0.927 517 K CA 1.040 57.035 56.287 -0.486 0.000 0.706 517 K CB -1.902 30.217 32.500 -0.635 0.000 1.418 517 K HN 1.611 nan 8.250 nan 0.000 0.459 518 G N -0.404 108.339 108.800 -0.096 0.000 2.168 518 G HA2 -0.370 3.247 3.960 -0.572 0.000 0.257 518 G HA3 -0.370 3.247 3.960 -0.572 0.000 0.257 518 G C -0.006 174.860 174.900 -0.057 0.000 0.997 518 G CA 1.036 46.103 45.100 -0.056 0.000 0.708 518 G HN 0.445 nan 8.290 nan 0.000 0.520 519 K N -0.113 120.271 120.400 -0.027 0.000 2.324 519 K HA 0.453 4.430 4.320 -0.572 0.000 0.253 519 K C 0.005 176.459 176.600 -0.243 0.000 0.932 519 K CA -0.703 55.489 56.287 -0.158 0.000 0.799 519 K CB 1.244 33.636 32.500 -0.180 0.000 1.154 519 K HN 0.218 nan 8.250 nan 0.000 0.425 520 Q N 3.195 122.769 119.800 -0.378 0.000 2.267 520 Q HA 0.203 4.200 4.340 -0.572 0.000 0.255 520 Q C -1.529 174.041 176.000 -0.716 0.000 0.923 520 Q CA -0.261 55.306 55.803 -0.393 0.000 0.925 520 Q CB 0.607 29.175 28.738 -0.283 0.000 1.195 520 Q HN 0.468 nan 8.270 nan 0.000 0.417 521 Y N 2.580 122.533 120.300 -0.579 0.000 2.499 521 Y HA 0.451 4.657 4.550 -0.573 0.000 0.347 521 Y C -0.181 175.335 175.900 -0.641 0.000 0.987 521 Y CA -1.072 56.641 58.100 -0.645 0.000 1.044 521 Y CB 1.544 39.440 38.460 -0.940 0.000 1.245 521 Y HN 0.458 nan 8.280 nan 0.000 0.461 522 I N 2.403 122.751 120.570 -0.371 0.000 2.339 522 I HA 0.437 4.263 4.170 -0.572 0.000 0.290 522 I C 0.400 176.428 176.117 -0.149 0.000 0.994 522 I CA -0.451 60.582 61.300 -0.446 0.000 1.191 522 I CB 1.065 38.554 38.000 -0.852 0.000 1.343 522 I HN 0.767 nan 8.210 nan 0.000 0.458 523 G N 3.442 112.164 108.800 -0.129 0.000 2.379 523 G HA2 0.529 4.146 3.960 -0.572 0.000 0.327 523 G HA3 0.529 4.146 3.960 -0.572 0.000 0.327 523 G C -0.912 173.995 174.900 0.011 0.000 1.145 523 G CA -0.347 44.727 45.100 -0.044 0.000 0.905 523 G HN 0.520 nan 8.290 nan 0.000 0.466 524 S N 1.433 117.196 115.700 0.105 0.000 2.546 524 S HA 0.600 4.726 4.470 -0.572 0.000 0.272 524 S C -0.112 174.609 174.600 0.201 0.000 1.140 524 S CA -0.818 57.493 58.200 0.185 0.000 0.920 524 S CB 1.069 64.433 63.200 0.275 0.000 1.083 524 S HN 0.447 nan 8.310 nan 0.000 0.476 525 M N 3.645 123.361 119.600 0.193 0.000 2.227 525 M HA 0.416 4.553 4.480 -0.572 0.000 0.316 525 M C -0.511 175.916 176.300 0.211 0.000 1.144 525 M CA -0.220 55.159 55.300 0.132 0.000 1.121 525 M CB 0.242 32.932 32.600 0.151 0.000 1.440 525 M HN 0.781 nan 8.290 nan 0.000 0.473 526 Y N -2.553 117.807 120.300 0.100 0.000 2.571 526 Y HA 0.713 4.919 4.550 -0.573 0.000 0.341 526 Y C -0.288 175.624 175.900 0.019 0.000 1.076 526 Y CA -1.447 56.698 58.100 0.076 0.000 1.029 526 Y CB 1.363 39.862 38.460 0.064 0.000 1.308 526 Y HN 0.935 nan 8.280 nan 0.000 0.461 527 G N 1.449 110.371 108.800 0.205 0.000 2.673 527 G HA2 0.148 3.765 3.960 -0.572 0.000 0.566 527 G HA3 0.148 3.765 3.960 -0.572 0.000 0.566 527 G C -1.568 173.438 174.900 0.176 0.000 1.170 527 G CA -0.556 44.618 45.100 0.123 0.000 1.242 527 G HN 1.068 nan 8.290 nan 0.000 0.568 528 V N 2.012 121.998 119.914 0.120 0.000 2.811 528 V HA 0.840 4.616 4.120 -0.572 0.000 0.302 528 V C 1.176 177.295 176.094 0.041 0.000 1.063 528 V CA 2.292 64.632 62.300 0.067 0.000 1.088 528 V CB 1.375 33.201 31.823 0.005 0.000 0.982 528 V HN 2.318 nan 8.190 nan 0.000 0.485 529 G N 2.888 111.691 108.800 0.005 0.000 2.452 529 G HA2 0.604 4.221 3.960 -0.572 0.000 0.224 529 G HA3 0.604 4.221 3.960 -0.572 0.000 0.224 529 G C 0.115 175.002 174.900 -0.021 0.000 1.208 529 G CA 0.202 45.301 45.100 -0.001 0.000 0.946 529 G HN 2.088 nan 8.290 nan 0.000 0.481 530 G N -1.824 107.025 108.800 0.081 0.000 2.693 530 G HA2 -0.048 3.569 3.960 -0.572 0.000 0.226 530 G HA3 -0.048 3.569 3.960 -0.572 0.000 0.226 530 G C 0.823 175.792 174.900 0.114 0.000 1.354 530 G CA 0.766 45.958 45.100 0.152 0.000 0.873 530 G HN 1.746 nan 8.290 nan 0.000 0.562 531 W N 1.671 122.930 121.300 -0.068 0.000 2.338 531 W HA -0.006 4.314 4.660 -0.566 0.000 0.304 531 W C -0.001 176.302 176.519 -0.360 0.000 1.212 531 W CA 2.841 60.121 57.345 -0.109 0.000 1.264 531 W CB -1.661 27.849 29.460 0.083 0.000 1.142 531 W HN 0.475 nan 8.180 nan 0.000 0.512 532 P HA -0.091 nan 4.420 nan 0.000 0.216 532 P C 1.392 178.298 177.300 -0.657 0.000 1.150 532 P CA 2.681 65.076 63.100 -1.175 0.000 0.837 532 P CB -0.570 30.178 31.700 -1.585 0.000 0.786 533 G N -0.605 107.988 108.800 -0.346 0.000 3.448 533 G HA2 0.117 3.734 3.960 -0.572 0.000 0.261 533 G HA3 0.117 3.734 3.960 -0.572 0.000 0.261 533 G C 1.214 176.114 174.900 0.000 0.000 1.173 533 G CA 0.118 45.129 45.100 -0.149 0.000 0.835 533 G HN 0.273 nan 8.290 nan 0.000 0.534 534 V N -1.557 118.420 119.914 0.105 0.000 2.515 534 V HA 0.042 3.819 4.120 -0.572 0.000 0.250 534 V C 2.500 178.760 176.094 0.278 0.000 1.058 534 V CA 1.971 64.452 62.300 0.302 0.000 1.064 534 V CB -0.878 31.153 31.823 0.348 0.000 0.675 534 V HN 0.169 nan 8.190 nan 0.000 0.461 535 G N 0.832 109.739 108.800 0.179 0.000 2.433 535 G HA2 -0.236 3.381 3.960 -0.572 0.000 0.216 535 G HA3 -0.236 3.381 3.960 -0.572 0.000 0.216 535 G C 1.518 176.482 174.900 0.108 0.000 1.186 535 G CA 1.250 46.444 45.100 0.156 0.000 0.779 535 G HN 0.548 nan 8.290 nan 0.000 0.543 536 L N 0.773 122.034 121.223 0.064 0.000 2.083 536 L HA 0.035 4.032 4.340 -0.572 0.000 0.209 536 L C 2.693 179.534 176.870 -0.049 0.000 1.083 536 L CA 1.529 56.377 54.840 0.014 0.000 0.752 536 L CB -0.478 41.581 42.059 -0.001 0.000 0.899 536 L HN 0.070 nan 8.230 nan 0.000 0.433 537 V N -1.062 118.784 119.914 -0.113 0.000 2.591 537 V HA -0.129 3.647 4.120 -0.572 0.000 0.249 537 V C 1.661 177.397 176.094 -0.597 0.000 1.053 537 V CA 1.564 63.639 62.300 -0.376 0.000 1.068 537 V CB -0.478 31.047 31.823 -0.496 0.000 0.689 537 V HN 0.402 nan 8.190 nan 0.000 0.462 538 F N -0.881 119.083 119.950 0.023 0.000 2.682 538 F HA 0.348 4.531 4.527 -0.573 0.000 0.308 538 F C 0.388 176.199 175.800 0.018 0.000 1.093 538 F CA -0.478 57.531 58.000 0.016 0.000 1.244 538 F CB 0.128 39.132 39.000 0.007 0.000 1.052 538 F HN 0.074 nan 8.300 nan 0.000 0.573 539 D N 1.392 121.864 120.400 0.121 0.000 2.897 539 D HA -0.101 4.196 4.640 -0.572 0.000 0.250 539 D C -1.160 175.206 176.300 0.110 0.000 1.086 539 D CA 0.260 54.315 54.000 0.091 0.000 0.799 539 D CB -0.940 39.904 40.800 0.072 0.000 1.043 539 D HN -0.126 nan 8.370 nan 0.000 0.427 540 L N 0.496 121.792 121.223 0.122 0.000 2.325 540 L HA 0.611 4.607 4.340 -0.572 0.000 0.278 540 L C 1.944 178.867 176.870 0.089 0.000 1.023 540 L CA 0.006 54.909 54.840 0.105 0.000 0.811 540 L CB 1.408 43.540 42.059 0.121 0.000 1.249 540 L HN 0.331 nan 8.230 nan 0.000 0.431 541 T N -3.245 111.351 114.554 0.071 0.000 2.954 541 T HA 0.107 4.114 4.350 -0.572 0.000 0.252 541 T C 0.405 175.142 174.700 0.062 0.000 0.983 541 T CA -0.260 61.879 62.100 0.065 0.000 0.941 541 T CB 0.129 69.027 68.868 0.050 0.000 1.141 541 T HN 0.324 nan 8.240 nan 0.000 0.500 542 D N 4.125 124.558 120.400 0.056 0.000 2.371 542 D HA 0.227 4.523 4.640 -0.572 0.000 0.256 542 D C -1.104 175.237 176.300 0.068 0.000 1.193 542 D CA -2.051 51.979 54.000 0.050 0.000 0.881 542 D CB 1.509 42.328 40.800 0.033 0.000 1.143 542 D HN 0.030 nan 8.370 nan 0.000 0.473 543 P HA -0.190 nan 4.420 nan 0.000 0.216 543 P C 1.202 178.559 177.300 0.096 0.000 1.150 543 P CA 0.883 64.036 63.100 0.087 0.000 0.837 543 P CB 0.179 31.926 31.700 0.078 0.000 0.786 544 S N -0.947 114.798 115.700 0.075 0.000 2.461 544 S HA 0.141 4.268 4.470 -0.572 0.000 0.228 544 S C 1.155 175.795 174.600 0.067 0.000 1.005 544 S CA 0.236 58.479 58.200 0.071 0.000 0.942 544 S CB -0.903 62.324 63.200 0.044 0.000 0.776 544 S HN 0.182 nan 8.310 nan 0.000 0.514 545 A N 0.204 123.059 122.820 0.059 0.000 2.386 545 A HA 0.504 4.480 4.320 -0.572 0.000 0.246 545 A C 1.348 178.987 177.584 0.092 0.000 1.089 545 A CA 0.218 52.280 52.037 0.043 0.000 0.790 545 A CB -1.041 17.980 19.000 0.034 0.000 1.042 545 A HN 1.510 nan 8.150 nan 0.000 0.497 546 G N -0.634 108.202 108.800 0.060 0.000 2.295 546 G HA2 -0.053 3.563 3.960 -0.572 0.000 0.287 546 G HA3 -0.053 3.563 3.960 -0.572 0.000 0.287 546 G C 0.397 175.490 174.900 0.322 0.000 1.055 546 G CA 0.229 45.418 45.100 0.149 0.000 0.922 546 G HN 1.794 nan 8.290 nan 0.000 0.503 547 L N -3.171 118.165 121.223 0.188 0.000 4.179 547 L HA -0.245 3.751 4.340 -0.572 0.000 0.418 547 L C 2.079 179.178 176.870 0.380 0.000 1.168 547 L CA 1.462 56.468 54.840 0.276 0.000 0.972 547 L CB -1.350 40.924 42.059 0.357 0.000 2.005 547 L HN 2.107 nan 8.230 nan 0.000 0.935 548 G N -2.417 106.534 108.800 0.252 0.000 2.213 548 G HA2 -0.198 3.418 3.960 -0.572 0.000 0.226 548 G HA3 -0.198 3.418 3.960 -0.572 0.000 0.226 548 G C 0.887 175.894 174.900 0.179 0.000 0.992 548 G CA 0.498 45.718 45.100 0.200 0.000 0.632 548 G HN 0.901 nan 8.290 nan 0.000 0.511 549 A N 0.252 123.195 122.820 0.204 0.000 1.933 549 A HA 0.315 4.291 4.320 -0.572 0.000 0.218 549 A C 2.575 180.306 177.584 0.245 0.000 1.175 549 A CA 2.547 54.671 52.037 0.145 0.000 0.628 549 A CB -0.484 18.538 19.000 0.037 0.000 0.814 549 A HN 1.098 nan 8.150 nan 0.000 0.444 550 V N 0.007 120.047 119.914 0.211 0.000 2.287 550 V HA -0.250 3.527 4.120 -0.572 0.000 0.248 550 V C 2.835 179.038 176.094 0.181 0.000 1.053 550 V CA 2.151 64.567 62.300 0.193 0.000 1.027 550 V CB -1.470 30.444 31.823 0.151 0.000 0.646 550 V HN 0.613 nan 8.190 nan 0.000 0.447 551 G N -0.594 108.296 108.800 0.149 0.000 2.459 551 G HA2 -0.260 3.357 3.960 -0.572 0.000 0.217 551 G HA3 -0.260 3.357 3.960 -0.572 0.000 0.217 551 G C 1.804 176.764 174.900 0.100 0.000 1.183 551 G CA 1.250 46.422 45.100 0.121 0.000 0.776 551 G HN 0.636 nan 8.290 nan 0.000 0.552 552 A N 0.450 123.320 122.820 0.084 0.000 1.873 552 A HA 0.045 4.021 4.320 -0.572 0.000 0.218 552 A C 1.789 179.211 177.584 -0.270 0.000 1.193 552 A CA 1.335 53.310 52.037 -0.103 0.000 0.629 552 A CB -0.547 18.380 19.000 -0.120 0.000 0.826 552 A HN 0.348 nan 8.150 nan 0.000 0.447 553 F N 0.503 120.525 119.950 0.120 0.000 2.713 553 F HA 0.170 4.355 4.527 -0.570 0.000 0.294 553 F C 1.928 177.836 175.800 0.179 0.000 1.152 553 F CA 0.134 58.248 58.000 0.189 0.000 1.385 553 F CB -0.075 38.986 39.000 0.101 0.000 0.981 553 F HN 0.330 nan 8.300 nan 0.000 0.514 554 R N 0.377 121.013 120.500 0.225 0.000 2.096 554 R HA -0.180 3.817 4.340 -0.572 0.000 0.240 554 R C 1.286 177.715 176.300 0.216 0.000 1.139 554 R CA 1.873 58.084 56.100 0.185 0.000 0.952 554 R CB -0.741 29.634 30.300 0.126 0.000 0.854 554 R HN 0.308 nan 8.270 nan 0.000 0.436 555 E N 0.957 121.322 120.200 0.275 0.000 2.418 555 E HA -0.061 3.946 4.350 -0.572 0.000 0.197 555 E C 2.003 178.878 176.600 0.459 0.000 1.026 555 E CA 0.277 56.895 56.400 0.365 0.000 0.862 555 E CB -0.029 29.907 29.700 0.394 0.000 0.799 555 E HN 0.413 nan 8.360 nan 0.000 0.518 556 L N 1.163 122.569 121.223 0.306 0.000 2.079 556 L HA -0.248 3.748 4.340 -0.572 0.000 0.210 556 L C 2.675 179.589 176.870 0.073 0.000 1.081 556 L CA 1.413 56.216 54.840 -0.062 0.000 0.752 556 L CB -0.362 41.608 42.059 -0.149 0.000 0.896 556 L HN 0.250 nan 8.230 nan 0.000 0.433 557 Q N 0.620 120.489 119.800 0.115 0.000 2.217 557 Q HA -0.255 3.741 4.340 -0.572 0.000 0.209 557 Q C 0.970 177.021 176.000 0.086 0.000 0.988 557 Q CA 2.160 58.015 55.803 0.087 0.000 0.878 557 Q CB -0.128 28.667 28.738 0.094 0.000 0.909 557 Q HN 0.676 nan 8.270 nan 0.000 0.424 558 N N -1.238 117.545 118.700 0.139 0.000 2.268 558 N HA 0.052 4.448 4.740 -0.572 0.000 0.204 558 N C 0.579 176.006 175.510 -0.138 0.000 1.124 558 N CA 0.003 53.061 53.050 0.014 0.000 0.838 558 N CB 0.412 38.893 38.487 -0.009 0.000 0.994 558 N HN 0.272 nan 8.380 nan 0.000 0.489 559 H N -1.748 117.338 119.070 0.027 0.000 3.266 559 H HA 0.227 4.441 4.556 -0.570 0.000 0.246 559 H C 0.140 175.450 175.328 -0.030 0.000 0.998 559 H CA 0.481 56.543 56.048 0.022 0.000 1.152 559 H CB 1.387 31.182 29.762 0.055 0.000 1.466 559 H HN 0.025 nan 8.280 nan 0.000 0.481 560 T N 0.347 114.937 114.554 0.061 0.000 2.769 560 T HA 0.329 4.335 4.350 -0.572 0.000 0.306 560 T C -1.552 173.144 174.700 -0.007 0.000 1.400 560 T CA -0.753 61.347 62.100 0.000 0.000 1.007 560 T CB 2.418 71.276 68.868 -0.017 0.000 1.392 560 T HN -0.003 nan 8.240 nan 0.000 0.500 561 Q N 1.027 120.819 119.800 -0.013 0.000 2.587 561 Q HA 0.520 4.516 4.340 -0.572 0.000 0.293 561 Q C -0.167 175.832 176.000 -0.002 0.000 1.083 561 Q CA -0.956 54.840 55.803 -0.011 0.000 0.792 561 Q CB 1.736 30.467 28.738 -0.013 0.000 1.484 561 Q HN 0.731 nan 8.270 nan 0.000 0.446 562 M N 0.081 119.677 119.600 -0.006 0.000 2.198 562 M HA 0.366 4.503 4.480 -0.572 0.000 0.292 562 M C 0.608 176.927 176.300 0.033 0.000 1.150 562 M CA 0.882 56.186 55.300 0.007 0.000 1.168 562 M CB 0.126 32.717 32.600 -0.016 0.000 1.388 562 M HN 0.828 nan 8.290 nan 0.000 0.447 563 G N -0.901 107.926 108.800 0.045 0.000 2.430 563 G HA2 0.593 4.210 3.960 -0.572 0.000 0.300 563 G HA3 0.593 4.210 3.960 -0.572 0.000 0.300 563 G C -1.468 173.359 174.900 -0.121 0.000 1.330 563 G CA -0.181 44.952 45.100 0.056 0.000 0.813 563 G HN 0.960 nan 8.290 nan 0.000 0.487 564 G N -1.021 107.565 108.800 -0.356 0.000 2.167 564 G HA2 0.799 4.416 3.960 -0.572 0.000 0.300 564 G HA3 0.799 4.416 3.960 -0.572 0.000 0.300 564 G C -0.123 174.200 174.900 -0.962 0.000 1.842 564 G CA 0.917 45.409 45.100 -1.013 0.000 1.035 564 G HN 2.048 nan 8.290 nan 0.000 0.489 565 G N -0.272 107.750 108.800 -1.297 0.000 2.335 565 G HA2 0.636 4.253 3.960 -0.572 0.000 0.291 565 G HA3 0.636 4.253 3.960 -0.572 0.000 0.291 565 G C -2.161 172.262 174.900 -0.794 0.000 1.261 565 G CA -0.354 44.194 45.100 -0.919 0.000 0.871 565 G HN 1.387 nan 8.290 nan 0.000 0.491 566 L N 0.010 121.112 121.223 -0.202 0.000 2.381 566 L HA 0.914 4.911 4.340 -0.572 0.000 0.268 566 L C -0.409 176.551 176.870 0.151 0.000 0.997 566 L CA -0.676 54.185 54.840 0.035 0.000 0.818 566 L CB 1.897 43.979 42.059 0.037 0.000 1.310 566 L HN 0.635 nan 8.230 nan 0.000 0.416 567 M N 4.806 124.446 119.600 0.067 0.000 2.395 567 M HA 0.573 4.710 4.480 -0.572 0.000 0.307 567 M C -1.326 174.680 176.300 -0.490 0.000 1.091 567 M CA -0.855 54.305 55.300 -0.234 0.000 0.919 567 M CB 2.180 34.652 32.600 -0.213 0.000 1.662 567 M HN 0.304 nan 8.290 nan 0.000 0.440 568 V N 2.968 122.338 119.914 -0.906 0.000 2.628 568 V HA 0.643 4.420 4.120 -0.572 0.000 0.306 568 V C -0.986 174.581 176.094 -0.879 0.000 1.045 568 V CA -0.490 61.330 62.300 -0.800 0.000 0.905 568 V CB 2.064 33.157 31.823 -1.218 0.000 0.997 568 V HN 0.665 nan 8.190 nan 0.000 0.436 569 F N 1.453 121.254 119.950 -0.248 0.000 2.611 569 F HA 0.891 5.077 4.527 -0.569 0.000 0.324 569 F C 0.366 176.027 175.800 -0.231 0.000 1.061 569 F CA -0.341 57.526 58.000 -0.221 0.000 0.954 569 F CB 2.352 41.203 39.000 -0.249 0.000 1.301 569 F HN 0.650 nan 8.300 nan 0.000 0.482 570 S N 0.369 116.036 115.700 -0.054 0.000 2.663 570 S HA 0.587 4.714 4.470 -0.572 0.000 0.264 570 S C -1.986 172.515 174.600 -0.166 0.000 1.112 570 S CA -0.929 57.107 58.200 -0.273 0.000 0.823 570 S CB 0.777 63.648 63.200 -0.548 0.000 1.111 570 S HN 0.444 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.098 121.223 -0.208 0.000 2.949 571 L HA 0.000 3.997 4.340 -0.572 0.000 0.249 571 L CA 0.000 54.767 54.840 -0.123 0.000 0.813 571 L CB 0.000 41.974 42.059 -0.142 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502