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 2a06_1_P DATA FIRST_RESID 10 DATA SEQUENCE LMKIVNNAFI DLPAPSNISS WWNFGSLLGI CLILQILTGL FLAMHYTSDT DATA SEQUENCE TTAFSSVTHI CRDVNYGWII RYMHANGASM FFICLYMHVG RGLYYGSYTF DATA SEQUENCE LETWNIGVIL LLTVMATAFM GYVLPWGQMS FWGATVITNL LSAIPYIGTN DATA SEQUENCE LVEWIWGGFS VDKATLTRFF AFHFILPFII MAIAMVHLLF LHETGSNNPT DATA SEQUENCE GISSDVDKIP FHPYYTIKDI LGALLLILAL MLLVLFAPDL LGDPDNYTPA DATA SEQUENCE NPLNTPPHIK PEWYFLFAYA ILRSIPNKLG GVLALAFSIL ILALIPLLHT DATA SEQUENCE SKQRSMMFRP LSQCLFWALV ADLLTLTWIG GQPVEHPYIT IGQLASVLYF DATA SEQUENCE LLILVLMPTA GTIENKLLKW 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.869 176.870 -0.002 0.000 1.165 10 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 10 L CB 0.000 42.054 42.059 -0.009 0.000 0.961 11 M N 0.961 120.562 119.600 0.002 0.000 3.682 11 M HA -0.147 4.333 4.480 0.000 0.000 0.302 11 M C 0.932 177.240 176.300 0.014 0.000 1.070 11 M CA 1.576 56.880 55.300 0.008 0.000 1.062 11 M CB -0.125 32.480 32.600 0.009 0.000 1.139 11 M HN 0.178 nan 8.290 nan 0.000 0.639 12 K N 0.469 120.878 120.400 0.015 0.000 2.323 12 K HA -0.067 4.253 4.320 0.000 0.000 0.259 12 K C 0.646 177.258 176.600 0.021 0.000 0.993 12 K CA 0.920 57.219 56.287 0.020 0.000 0.866 12 K CB -0.063 32.446 32.500 0.015 0.000 0.997 12 K HN 0.539 nan 8.250 nan 0.000 0.524 13 I N -1.628 118.960 120.570 0.030 0.000 5.742 13 I HA -0.297 3.873 4.170 0.000 0.000 0.228 13 I C -0.302 175.834 176.117 0.032 0.000 1.807 13 I CA 0.832 62.152 61.300 0.032 0.000 1.937 13 I CB -2.758 35.250 38.000 0.014 0.000 3.356 13 I HN 0.265 nan 8.210 nan 0.000 0.226 14 V N -0.728 119.209 119.914 0.038 0.000 0.000 14 V HA 0.990 5.110 4.120 0.000 0.000 0.000 14 V C 0.144 176.278 176.094 0.067 0.000 0.000 14 V CA -0.318 61.998 62.300 0.026 0.000 0.000 14 V CB 2.216 34.034 31.823 -0.009 0.000 0.000 14 V HN 0.564 nan 8.190 nan 0.000 0.000 15 N N 0.007 nan 118.700 nan 0.000 0.000 15 N HA 0.141 4.881 4.740 0.000 0.000 0.000 15 N C -0.768 174.784 175.510 0.069 0.000 0.000 15 N CA -0.630 52.454 53.050 0.057 0.000 0.000 15 N CB 0.299 38.813 38.487 0.045 0.000 0.000 15 N HN 0.498 nan 8.380 nan 0.000 0.000 16 N N 1.027 119.755 118.700 0.047 0.000 2.349 16 N HA 0.254 4.994 4.740 0.000 0.000 0.296 16 N C 0.148 175.685 175.510 0.044 0.000 1.304 16 N CA 1.279 54.352 53.050 0.037 0.000 1.051 16 N CB -0.135 38.367 38.487 0.024 0.000 1.466 16 N HN 0.657 nan 8.380 nan 0.000 0.487 17 A N 0.957 123.812 122.820 0.058 0.000 2.380 17 A HA 0.017 4.337 4.320 0.000 0.000 0.178 17 A C 0.371 178.025 177.584 0.117 0.000 2.395 17 A CA -0.268 51.821 52.037 0.086 0.000 1.371 17 A CB -0.283 18.786 19.000 0.115 0.000 1.141 17 A HN 0.439 nan 8.150 nan 0.000 0.399 18 F N -0.040 119.875 119.950 -0.059 0.000 1.885 18 F HA 0.352 4.879 4.527 0.000 0.000 0.228 18 F C 1.420 177.232 175.800 0.021 0.000 1.217 18 F CA 0.696 58.635 58.000 -0.102 0.000 1.307 18 F CB -0.146 38.809 39.000 -0.074 0.000 1.822 18 F HN -0.045 nan 8.300 nan 0.000 0.336 19 I N 1.667 122.280 120.570 0.072 0.000 2.087 19 I HA -0.292 3.878 4.170 0.000 0.000 0.240 19 I C 1.077 177.226 176.117 0.054 0.000 1.054 19 I CA 1.898 63.225 61.300 0.045 0.000 1.311 19 I CB -1.314 36.759 38.000 0.122 0.000 1.024 19 I HN 0.306 nan 8.210 nan 0.000 0.402 20 D N 0.910 121.341 120.400 0.051 0.000 2.336 20 D HA 0.105 4.745 4.640 0.000 0.000 0.228 20 D C 0.644 176.960 176.300 0.025 0.000 1.120 20 D CA -0.229 53.800 54.000 0.049 0.000 0.839 20 D CB -0.087 40.738 40.800 0.043 0.000 0.932 20 D HN 0.085 nan 8.370 nan 0.000 0.509 21 L N 2.210 123.428 121.223 -0.007 0.000 2.534 21 L HA 0.159 4.499 4.340 0.000 0.000 0.271 21 L C -2.467 174.421 176.870 0.029 0.000 1.178 21 L CA -0.937 53.870 54.840 -0.056 0.000 0.907 21 L CB 0.337 42.282 42.059 -0.189 0.000 1.164 21 L HN -0.253 nan 8.230 nan 0.000 0.482 22 P HA 0.337 nan 4.420 nan 0.000 0.276 22 P C -1.341 175.990 177.300 0.052 0.000 1.243 22 P CA -0.142 62.979 63.100 0.035 0.000 0.768 22 P CB 1.166 32.871 31.700 0.008 0.000 0.856 23 A N 5.361 128.242 122.820 0.103 0.000 2.401 23 A HA 0.758 5.078 4.320 0.000 0.000 0.310 23 A C -2.758 174.854 177.584 0.047 0.000 1.075 23 A CA -2.294 49.798 52.037 0.091 0.000 0.746 23 A CB 0.701 19.822 19.000 0.201 0.000 1.277 23 A HN 0.281 nan 8.150 nan 0.000 0.425 24 P HA 0.048 nan 4.420 nan 0.000 0.266 24 P C 0.951 178.234 177.300 -0.028 0.000 1.195 24 P CA 0.407 63.459 63.100 -0.081 0.000 0.768 24 P CB 0.822 32.406 31.700 -0.193 0.000 0.838 25 S N 1.367 117.035 115.700 -0.052 0.000 2.481 25 S HA -0.107 4.363 4.470 0.000 0.000 0.231 25 S C 1.055 175.615 174.600 -0.065 0.000 0.996 25 S CA 0.732 58.887 58.200 -0.075 0.000 0.942 25 S CB -0.796 62.323 63.200 -0.135 0.000 0.768 25 S HN 0.575 nan 8.310 nan 0.000 0.520 26 N N 1.885 120.517 118.700 -0.114 0.000 2.275 26 N HA 0.137 4.877 4.740 0.000 0.000 0.236 26 N C 0.155 175.491 175.510 -0.289 0.000 1.154 26 N CA -0.557 52.402 53.050 -0.152 0.000 0.866 26 N CB -0.515 37.889 38.487 -0.138 0.000 1.093 26 N HN 0.686 nan 8.380 nan 0.000 0.515 27 I N -0.015 120.319 120.570 -0.393 0.000 2.556 27 I HA 0.231 4.401 4.170 0.000 0.000 0.284 27 I C 0.768 176.716 176.117 -0.281 0.000 1.114 27 I CA -0.784 60.053 61.300 -0.770 0.000 1.418 27 I CB 0.708 38.040 38.000 -1.113 0.000 1.394 27 I HN 0.035 nan 8.210 nan 0.000 0.552 28 S N 3.455 119.059 115.700 -0.159 0.000 2.607 28 S HA 0.253 4.723 4.470 0.000 0.000 0.272 28 S C 1.092 175.833 174.600 0.234 0.000 1.166 28 S CA -0.277 57.990 58.200 0.113 0.000 1.021 28 S CB 1.137 64.465 63.200 0.215 0.000 1.113 28 S HN 0.703 nan 8.310 nan 0.000 0.531 29 S N -0.223 115.537 115.700 0.100 0.000 2.442 29 S HA -0.055 4.415 4.470 0.000 0.000 0.236 29 S C 1.148 175.778 174.600 0.050 0.000 1.007 29 S CA 1.106 59.290 58.200 -0.027 0.000 0.965 29 S CB -0.618 62.451 63.200 -0.217 0.000 0.773 29 S HN 0.724 nan 8.310 nan 0.000 0.504 30 W N 0.412 121.977 121.300 0.441 0.000 2.525 30 W HA 0.029 4.689 4.660 0.000 0.000 0.259 30 W C 1.562 178.312 176.519 0.385 0.000 1.253 30 W CA -0.221 57.414 57.345 0.484 0.000 1.262 30 W CB -0.214 29.448 29.460 0.338 0.000 1.122 30 W HN 0.374 nan 8.180 nan 0.000 0.607 31 W N 0.105 121.585 121.300 0.300 0.000 3.256 31 W HA 0.006 4.666 4.660 0.000 0.000 0.269 31 W C 0.802 177.418 176.519 0.161 0.000 1.310 31 W CA 0.228 57.702 57.345 0.214 0.000 1.673 31 W CB -0.465 29.025 29.460 0.051 0.000 1.115 31 W HN -0.029 nan 8.180 nan 0.000 0.686 32 N N -0.069 118.757 118.700 0.209 0.000 2.416 32 N HA -0.067 4.673 4.740 0.000 0.000 0.177 32 N C 1.216 176.665 175.510 -0.103 0.000 1.036 32 N CA 0.857 53.899 53.050 -0.014 0.000 0.901 32 N CB -0.555 37.789 38.487 -0.239 0.000 0.976 32 N HN -0.080 nan 8.380 nan 0.000 0.444 33 F N 0.349 120.414 119.950 0.192 0.000 2.333 33 F HA 0.036 4.563 4.527 0.000 0.000 0.300 33 F C 2.365 178.180 175.800 0.026 0.000 1.083 33 F CA 0.833 58.921 58.000 0.147 0.000 1.395 33 F CB -0.754 38.400 39.000 0.257 0.000 1.056 33 F HN 0.074 nan 8.300 nan 0.000 0.529 34 G N -0.335 108.612 108.800 0.244 0.000 2.414 34 G HA2 -0.261 3.699 3.960 0.000 0.000 0.215 34 G HA3 -0.261 3.699 3.960 0.000 0.000 0.215 34 G C 1.822 176.748 174.900 0.043 0.000 1.188 34 G CA 1.075 46.226 45.100 0.085 0.000 0.783 34 G HN 0.431 nan 8.290 nan 0.000 0.537 35 S N 0.582 116.342 115.700 0.100 0.000 2.402 35 S HA 0.048 4.519 4.470 0.000 0.000 0.229 35 S C 2.342 176.931 174.600 -0.019 0.000 1.021 35 S CA 0.932 59.175 58.200 0.072 0.000 0.974 35 S CB -0.353 62.935 63.200 0.147 0.000 0.800 35 S HN 0.280 nan 8.310 nan 0.000 0.484 36 L N 0.479 121.672 121.223 -0.050 0.000 2.141 36 L HA 0.034 4.374 4.340 0.000 0.000 0.209 36 L C 2.579 179.342 176.870 -0.179 0.000 1.094 36 L CA 0.925 55.705 54.840 -0.099 0.000 0.763 36 L CB -0.622 41.376 42.059 -0.102 0.000 0.908 36 L HN 0.317 nan 8.230 nan 0.000 0.437 37 L N -0.390 120.715 121.223 -0.197 0.000 2.093 37 L HA -0.106 4.234 4.340 0.000 0.000 0.208 37 L C 2.678 179.290 176.870 -0.429 0.000 1.085 37 L CA 1.289 55.893 54.840 -0.392 0.000 0.755 37 L CB -0.975 40.908 42.059 -0.293 0.000 0.904 37 L HN 0.291 nan 8.230 nan 0.000 0.435 38 G N 0.243 108.910 108.800 -0.222 0.000 2.418 38 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 38 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 38 G C 1.579 176.360 174.900 -0.198 0.000 1.158 38 G CA 0.693 45.694 45.100 -0.166 0.000 0.771 38 G HN 0.279 nan 8.290 nan 0.000 0.545 39 I N 0.223 120.682 120.570 -0.184 0.000 2.252 39 I HA -0.176 3.994 4.170 0.000 0.000 0.245 39 I C 2.816 178.788 176.117 -0.241 0.000 1.102 39 I CA 0.505 61.707 61.300 -0.164 0.000 1.385 39 I CB -0.302 37.630 38.000 -0.113 0.000 1.064 39 I HN 0.182 nan 8.210 nan 0.000 0.414 40 C N 0.292 119.358 119.300 -0.390 0.000 2.413 40 C HA -0.174 4.286 4.460 0.000 0.000 0.276 40 C C 2.753 177.429 174.990 -0.523 0.000 1.248 40 C CA 0.613 59.314 59.018 -0.528 0.000 1.742 40 C CB -0.937 26.227 27.740 -0.960 0.000 2.017 40 C HN 0.498 nan 8.230 nan 0.000 0.481 41 L N 0.864 121.734 121.223 -0.589 0.000 2.017 41 L HA -0.072 4.268 4.340 0.000 0.000 0.208 41 L C 2.146 178.918 176.870 -0.163 0.000 1.073 41 L CA 1.897 56.581 54.840 -0.260 0.000 0.745 41 L CB -0.685 41.268 42.059 -0.175 0.000 0.894 41 L HN 0.330 nan 8.230 nan 0.000 0.432 42 I N -1.336 119.140 120.570 -0.157 0.000 2.315 42 I HA -0.292 3.878 4.170 0.000 0.000 0.248 42 I C 2.352 178.426 176.117 -0.071 0.000 1.117 42 I CA 0.923 62.163 61.300 -0.100 0.000 1.404 42 I CB -0.224 37.727 38.000 -0.081 0.000 1.071 42 I HN 0.268 nan 8.210 nan 0.000 0.419 43 L N -0.112 121.059 121.223 -0.087 0.000 2.027 43 L HA -0.212 4.128 4.340 0.000 0.000 0.206 43 L C 2.760 179.636 176.870 0.010 0.000 1.074 43 L CA 1.195 56.008 54.840 -0.046 0.000 0.745 43 L CB -0.604 41.418 42.059 -0.062 0.000 0.898 43 L HN 0.294 nan 8.230 nan 0.000 0.433 44 Q N -0.038 119.755 119.800 -0.013 0.000 2.096 44 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 44 Q C 2.240 178.314 176.000 0.123 0.000 0.982 44 Q CA 1.642 57.475 55.803 0.050 0.000 0.850 44 Q CB -0.319 28.412 28.738 -0.011 0.000 0.901 44 Q HN 0.551 nan 8.270 nan 0.000 0.422 45 I N 0.257 120.811 120.570 -0.027 0.000 2.226 45 I HA -0.275 3.895 4.170 0.000 0.000 0.245 45 I C 2.251 178.386 176.117 0.030 0.000 1.100 45 I CA 0.836 62.076 61.300 -0.100 0.000 1.374 45 I CB -0.226 37.633 38.000 -0.237 0.000 1.057 45 I HN 0.129 nan 8.210 nan 0.000 0.413 46 L N 0.055 121.319 121.223 0.068 0.000 2.005 46 L HA -0.193 4.147 4.340 0.000 0.000 0.207 46 L C 2.869 179.864 176.870 0.207 0.000 1.072 46 L CA 2.051 56.980 54.840 0.149 0.000 0.744 46 L CB -1.191 40.912 42.059 0.073 0.000 0.895 46 L HN 0.405 nan 8.230 nan 0.000 0.433 47 T N -2.745 111.892 114.554 0.138 0.000 2.746 47 T HA -0.115 4.235 4.350 0.000 0.000 0.267 47 T C 1.950 176.667 174.700 0.029 0.000 1.039 47 T CA 1.048 63.225 62.100 0.128 0.000 1.142 47 T CB -1.060 67.918 68.868 0.183 0.000 0.866 47 T HN 0.395 nan 8.240 nan 0.000 0.444 48 G N 1.589 110.365 108.800 -0.041 0.000 2.446 48 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 48 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 48 G C 1.550 176.355 174.900 -0.158 0.000 1.168 48 G CA 0.779 45.675 45.100 -0.339 0.000 0.771 48 G HN 0.509 nan 8.290 nan 0.000 0.551 49 L N -0.892 120.300 121.223 -0.052 0.000 2.046 49 L HA -0.016 4.324 4.340 0.000 0.000 0.208 49 L C 2.704 179.542 176.870 -0.053 0.000 1.077 49 L CA 0.882 55.679 54.840 -0.072 0.000 0.747 49 L CB -0.341 41.720 42.059 0.003 0.000 0.896 49 L HN 0.146 nan 8.230 nan 0.000 0.432 50 F N -0.343 119.601 119.950 -0.010 0.000 2.234 50 F HA -0.192 4.335 4.527 0.000 0.000 0.299 50 F C 2.217 178.075 175.800 0.098 0.000 1.087 50 F CA 1.150 59.176 58.000 0.044 0.000 1.340 50 F CB -0.392 38.632 39.000 0.040 0.000 1.031 50 F HN -0.042 nan 8.300 nan 0.000 0.500 51 L N -0.865 120.448 121.223 0.151 0.000 2.072 51 L HA -0.138 4.202 4.340 0.000 0.000 0.205 51 L C 2.669 179.634 176.870 0.159 0.000 1.079 51 L CA 1.015 55.923 54.840 0.113 0.000 0.752 51 L CB -1.011 40.994 42.059 -0.090 0.000 0.906 51 L HN 0.086 nan 8.230 nan 0.000 0.436 52 A N -0.310 122.591 122.820 0.134 0.000 2.076 52 A HA -0.218 4.102 4.320 0.000 0.000 0.220 52 A C 2.247 179.974 177.584 0.239 0.000 1.160 52 A CA 1.550 53.779 52.037 0.320 0.000 0.653 52 A CB -0.541 18.660 19.000 0.336 0.000 0.801 52 A HN 0.398 nan 8.150 nan 0.000 0.455 53 M N -1.370 118.258 119.600 0.047 0.000 2.557 53 M HA -0.053 4.427 4.480 0.000 0.000 0.259 53 M C 1.109 177.208 176.300 -0.335 0.000 1.086 53 M CA 0.956 56.150 55.300 -0.176 0.000 1.096 53 M CB -0.103 32.273 32.600 -0.374 0.000 1.424 53 M HN 0.511 nan 8.290 nan 0.000 0.488 54 H N -3.248 115.892 119.070 0.117 0.000 3.440 54 H HA 0.148 4.704 4.556 0.000 0.000 0.259 54 H C -0.434 174.952 175.328 0.097 0.000 1.120 54 H CA -0.202 55.917 56.048 0.119 0.000 1.191 54 H CB 0.409 30.267 29.762 0.160 0.000 1.537 54 H HN 0.209 nan 8.280 nan 0.000 0.547 55 Y N 3.708 124.037 120.300 0.048 0.000 2.309 55 Y HA 0.277 4.827 4.550 0.000 0.000 0.327 55 Y C 0.226 175.994 175.900 -0.219 0.000 1.172 55 Y CA -0.468 57.561 58.100 -0.119 0.000 1.280 55 Y CB 0.869 39.178 38.460 -0.252 0.000 1.234 55 Y HN -0.051 nan 8.280 nan 0.000 0.512 56 T N 1.050 114.997 114.554 -1.013 0.000 2.841 56 T HA 0.332 4.682 4.350 0.000 0.000 0.283 56 T C 0.282 174.204 174.700 -1.297 0.000 1.000 56 T CA -0.365 61.240 62.100 -0.826 0.000 0.977 56 T CB 1.283 69.891 68.868 -0.434 0.000 0.979 56 T HN 0.646 nan 8.240 nan 0.000 0.446 57 S N 0.341 115.544 115.700 -0.828 0.000 2.634 57 S HA 0.102 4.572 4.470 0.000 0.000 0.221 57 S C 0.214 174.556 174.600 -0.430 0.000 0.952 57 S CA -0.554 57.291 58.200 -0.592 0.000 0.930 57 S CB -0.310 62.783 63.200 -0.178 0.000 0.780 57 S HN 0.808 nan 8.310 nan 0.000 0.498 58 D N 2.721 122.880 120.400 -0.401 0.000 2.351 58 D HA 0.069 4.709 4.640 0.000 0.000 0.251 58 D C 1.408 177.476 176.300 -0.387 0.000 1.137 58 D CA 0.421 54.226 54.000 -0.325 0.000 0.879 58 D CB 1.805 42.464 40.800 -0.236 0.000 1.181 58 D HN 0.347 nan 8.370 nan 0.000 0.448 59 T N -0.148 114.139 114.554 -0.445 0.000 2.946 59 T HA -0.199 4.151 4.350 0.000 0.000 0.271 59 T C 1.616 176.192 174.700 -0.207 0.000 1.104 59 T CA 1.769 63.551 62.100 -0.529 0.000 1.114 59 T CB -0.409 68.208 68.868 -0.419 0.000 0.867 59 T HN 0.485 nan 8.240 nan 0.000 0.513 60 T N -0.632 113.828 114.554 -0.156 0.000 3.067 60 T HA 0.057 4.407 4.350 0.000 0.000 0.257 60 T C 1.855 176.514 174.700 -0.067 0.000 1.105 60 T CA 0.989 63.042 62.100 -0.078 0.000 1.104 60 T CB -0.377 68.448 68.868 -0.072 0.000 0.925 60 T HN 0.627 nan 8.240 nan 0.000 0.498 61 T N -2.699 111.781 114.554 -0.124 0.000 3.004 61 T HA 0.621 4.971 4.350 0.000 0.000 0.266 61 T C 2.097 176.717 174.700 -0.133 0.000 0.986 61 T CA 0.376 62.409 62.100 -0.112 0.000 0.902 61 T CB -0.123 68.650 68.868 -0.158 0.000 1.118 61 T HN 0.311 nan 8.240 nan 0.000 0.522 62 A N 1.753 124.460 122.820 -0.189 0.000 1.859 62 A HA 0.020 4.340 4.320 0.000 0.000 0.217 62 A C 1.870 179.517 177.584 0.105 0.000 1.198 62 A CA 1.708 53.634 52.037 -0.185 0.000 0.629 62 A CB -1.285 17.619 19.000 -0.159 0.000 0.830 62 A HN 0.497 nan 8.150 nan 0.000 0.446 63 F N 1.185 121.178 119.950 0.072 0.000 2.134 63 F HA -0.155 4.372 4.527 0.000 0.000 0.299 63 F C 2.637 178.484 175.800 0.078 0.000 1.097 63 F CA 1.939 60.004 58.000 0.109 0.000 1.264 63 F CB -0.258 38.816 39.000 0.124 0.000 1.001 63 F HN 0.200 nan 8.300 nan 0.000 0.479 64 S N -0.357 115.516 115.700 0.289 0.000 2.382 64 S HA -0.206 4.264 4.470 0.000 0.000 0.228 64 S C 2.247 176.899 174.600 0.086 0.000 1.027 64 S CA 1.362 59.669 58.200 0.180 0.000 0.991 64 S CB -0.680 62.594 63.200 0.123 0.000 0.823 64 S HN 0.624 nan 8.310 nan 0.000 0.469 65 S N 1.223 116.940 115.700 0.029 0.000 2.402 65 S HA -0.024 4.446 4.470 0.000 0.000 0.229 65 S C 1.826 176.492 174.600 0.109 0.000 1.021 65 S CA 0.930 59.152 58.200 0.038 0.000 0.974 65 S CB -0.590 62.553 63.200 -0.094 0.000 0.800 65 S HN 0.283 nan 8.310 nan 0.000 0.484 66 V N 2.919 122.866 119.914 0.054 0.000 2.453 66 V HA -0.126 3.994 4.120 0.000 0.000 0.247 66 V C 3.233 179.302 176.094 -0.042 0.000 1.048 66 V CA 2.019 64.316 62.300 -0.005 0.000 1.049 66 V CB -1.475 30.280 31.823 -0.114 0.000 0.672 66 V HN 0.880 nan 8.190 nan 0.000 0.457 67 T N -1.916 112.600 114.554 -0.063 0.000 2.821 67 T HA -0.297 4.053 4.350 0.000 0.000 0.267 67 T C 1.921 176.664 174.700 0.070 0.000 1.046 67 T CA 1.747 63.848 62.100 0.001 0.000 1.139 67 T CB -0.678 68.215 68.868 0.043 0.000 0.871 67 T HN 0.652 nan 8.240 nan 0.000 0.454 68 H N 1.213 120.288 119.070 0.008 0.000 2.353 68 H HA 0.003 4.559 4.556 0.000 0.000 0.300 68 H C 2.166 177.485 175.328 -0.014 0.000 1.090 68 H CA 1.645 57.699 56.048 0.009 0.000 1.327 68 H CB -0.302 29.467 29.762 0.012 0.000 1.383 68 H HN 0.442 nan 8.280 nan 0.000 0.508 69 I N 0.291 120.820 120.570 -0.068 0.000 2.142 69 I HA -0.342 3.828 4.170 0.000 0.000 0.240 69 I C 2.892 178.944 176.117 -0.108 0.000 1.078 69 I CA 1.322 62.524 61.300 -0.164 0.000 1.343 69 I CB -0.341 37.630 38.000 -0.048 0.000 1.046 69 I HN 0.335 nan 8.210 nan 0.000 0.405 70 C N 0.230 119.528 119.300 -0.004 0.000 2.432 70 C HA -0.076 4.384 4.460 0.000 0.000 0.280 70 C C 2.789 177.857 174.990 0.130 0.000 1.353 70 C CA 0.734 59.829 59.018 0.129 0.000 1.766 70 C CB -1.297 26.548 27.740 0.175 0.000 1.924 70 C HN 0.433 nan 8.230 nan 0.000 0.509 71 R N -0.032 120.483 120.500 0.026 0.000 2.146 71 R HA 0.044 4.384 4.340 0.000 0.000 0.206 71 R C 1.132 177.402 176.300 -0.050 0.000 1.049 71 R CA 0.825 56.931 56.100 0.010 0.000 1.029 71 R CB -0.041 30.273 30.300 0.024 0.000 0.949 71 R HN 0.437 nan 8.270 nan 0.000 0.471 72 D N -0.223 120.068 120.400 -0.181 0.000 2.454 72 D HA 0.082 4.722 4.640 0.000 0.000 0.219 72 D C 0.040 176.172 176.300 -0.281 0.000 1.081 72 D CA 0.255 54.124 54.000 -0.218 0.000 0.867 72 D CB 0.772 41.459 40.800 -0.188 0.000 1.054 72 D HN -0.135 nan 8.370 nan 0.000 0.500 73 V N 3.046 122.717 119.914 -0.405 0.000 2.555 73 V HA 0.035 4.155 4.120 0.000 0.000 0.286 73 V C 0.497 176.482 176.094 -0.182 0.000 1.044 73 V CA -0.646 61.448 62.300 -0.344 0.000 1.026 73 V CB 0.749 32.247 31.823 -0.542 0.000 0.981 73 V HN 0.088 nan 8.190 nan 0.000 0.480 74 N N 4.745 123.380 118.700 -0.108 0.000 2.411 74 N HA 0.007 4.747 4.740 0.000 0.000 0.265 74 N C 0.200 175.664 175.510 -0.076 0.000 1.266 74 N CA 0.318 53.299 53.050 -0.115 0.000 0.889 74 N CB -0.149 38.351 38.487 0.022 0.000 1.069 74 N HN 0.752 nan 8.380 nan 0.000 0.476 75 Y N -1.197 119.031 120.300 -0.121 0.000 4.538 75 Y HA -0.273 4.277 4.550 0.000 0.000 0.225 75 Y C 1.782 177.404 175.900 -0.464 0.000 1.074 75 Y CA 0.848 58.700 58.100 -0.413 0.000 1.942 75 Y CB -1.840 36.421 38.460 -0.331 0.000 1.618 75 Y HN 0.709 nan 8.280 nan 0.000 0.642 76 G N 0.497 109.186 108.800 -0.184 0.000 2.440 76 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 76 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 76 G C 1.390 176.236 174.900 -0.089 0.000 1.154 76 G CA 1.018 46.036 45.100 -0.137 0.000 0.767 76 G HN 0.776 nan 8.290 nan 0.000 0.552 77 W N 0.531 121.846 121.300 0.025 0.000 2.338 77 W HA 0.022 4.682 4.660 0.000 0.000 0.304 77 W C 1.976 178.620 176.519 0.208 0.000 1.212 77 W CA 0.615 58.039 57.345 0.131 0.000 1.264 77 W CB -1.119 28.452 29.460 0.185 0.000 1.142 77 W HN 0.234 nan 8.180 nan 0.000 0.512 78 I N 1.096 121.213 120.570 -0.754 0.000 2.315 78 I HA -0.244 3.927 4.170 0.000 0.000 0.248 78 I C 2.563 178.565 176.117 -0.192 0.000 1.117 78 I CA 1.379 62.330 61.300 -0.582 0.000 1.404 78 I CB -0.196 37.157 38.000 -1.080 0.000 1.071 78 I HN -0.181 nan 8.210 nan 0.000 0.419 79 I N 0.197 120.644 120.570 -0.205 0.000 2.252 79 I HA -0.244 3.926 4.170 0.000 0.000 0.245 79 I C 2.647 178.747 176.117 -0.029 0.000 1.102 79 I CA 0.740 61.983 61.300 -0.096 0.000 1.385 79 I CB -0.540 37.415 38.000 -0.076 0.000 1.064 79 I HN 0.227 nan 8.210 nan 0.000 0.414 80 R N 0.903 121.359 120.500 -0.074 0.000 2.066 80 R HA -0.188 4.152 4.340 0.000 0.000 0.232 80 R C 2.212 178.398 176.300 -0.189 0.000 1.131 80 R CA 1.942 57.947 56.100 -0.158 0.000 0.955 80 R CB -0.600 29.523 30.300 -0.295 0.000 0.851 80 R HN 0.291 nan 8.270 nan 0.000 0.432 81 Y N -0.026 120.372 120.300 0.164 0.000 2.439 81 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 81 Y C 2.407 178.398 175.900 0.153 0.000 1.130 81 Y CA 0.940 59.151 58.100 0.185 0.000 1.254 81 Y CB -0.256 38.345 38.460 0.235 0.000 1.000 81 Y HN 0.012 nan 8.280 nan 0.000 0.554 82 M N -1.615 118.100 119.600 0.193 0.000 2.200 82 M HA -0.201 4.279 4.480 0.000 0.000 0.265 82 M C 2.014 178.404 176.300 0.150 0.000 1.066 82 M CA 1.578 56.962 55.300 0.139 0.000 1.127 82 M CB -0.296 32.342 32.600 0.063 0.000 1.379 82 M HN 0.273 nan 8.290 nan 0.000 0.420 83 H N 0.094 119.196 119.070 0.053 0.000 2.326 83 H HA -0.020 4.536 4.556 0.000 0.000 0.301 83 H C 1.914 177.305 175.328 0.104 0.000 1.081 83 H CA 2.141 58.226 56.048 0.062 0.000 1.334 83 H CB 0.014 29.797 29.762 0.036 0.000 1.385 83 H HN 0.329 nan 8.280 nan 0.000 0.504 84 A N 0.465 123.391 122.820 0.177 0.000 1.858 84 A HA -0.183 4.137 4.320 0.000 0.000 0.216 84 A C 2.211 179.916 177.584 0.202 0.000 1.190 84 A CA 1.733 53.876 52.037 0.177 0.000 0.617 84 A CB -0.431 18.696 19.000 0.213 0.000 0.827 84 A HN 0.556 nan 8.150 nan 0.000 0.443 85 N N -0.136 118.702 118.700 0.230 0.000 2.396 85 N HA -0.081 4.659 4.740 0.000 0.000 0.180 85 N C 1.779 177.404 175.510 0.192 0.000 1.028 85 N CA 1.021 54.213 53.050 0.238 0.000 0.893 85 N CB -0.289 38.338 38.487 0.232 0.000 0.967 85 N HN 0.508 nan 8.380 nan 0.000 0.440 86 G N 1.136 110.010 108.800 0.123 0.000 2.418 86 G HA2 -0.181 3.779 3.960 0.000 0.000 0.217 86 G HA3 -0.181 3.779 3.960 0.000 0.000 0.217 86 G C 1.695 176.656 174.900 0.103 0.000 1.158 86 G CA 0.957 46.101 45.100 0.072 0.000 0.771 86 G HN 0.369 nan 8.290 nan 0.000 0.545 87 A N 0.735 123.601 122.820 0.076 0.000 1.908 87 A HA -0.019 4.301 4.320 0.000 0.000 0.218 87 A C 2.703 180.407 177.584 0.200 0.000 1.181 87 A CA 2.325 54.413 52.037 0.086 0.000 0.627 87 A CB -0.679 18.350 19.000 0.049 0.000 0.818 87 A HN 0.312 nan 8.150 nan 0.000 0.445 88 S N -0.620 115.283 115.700 0.338 0.000 2.368 88 S HA -0.133 4.337 4.470 0.000 0.000 0.225 88 S C 2.043 176.951 174.600 0.514 0.000 1.030 88 S CA 1.647 60.198 58.200 0.585 0.000 0.999 88 S CB -0.309 63.346 63.200 0.759 0.000 0.844 88 S HN 0.478 nan 8.310 nan 0.000 0.459 89 M N 0.229 120.026 119.600 0.328 0.000 2.159 89 M HA -0.014 4.466 4.480 0.000 0.000 0.263 89 M C 1.834 178.257 176.300 0.205 0.000 1.063 89 M CA 1.139 56.586 55.300 0.245 0.000 1.110 89 M CB -1.443 31.243 32.600 0.144 0.000 1.374 89 M HN 0.276 nan 8.290 nan 0.000 0.411 90 F N 0.654 120.575 119.950 -0.049 0.000 2.095 90 F HA -0.212 4.315 4.527 0.000 0.000 0.298 90 F C 2.116 177.686 175.800 -0.384 0.000 1.104 90 F CA 1.448 59.298 58.000 -0.249 0.000 1.232 90 F CB -0.843 37.912 39.000 -0.408 0.000 0.987 90 F HN -0.005 nan 8.300 nan 0.000 0.475 91 F N -0.203 119.694 119.950 -0.088 0.000 2.186 91 F HA -0.158 4.369 4.527 0.000 0.000 0.299 91 F C 2.424 178.074 175.800 -0.250 0.000 1.090 91 F CA 1.161 58.893 58.000 -0.446 0.000 1.307 91 F CB -0.650 37.852 39.000 -0.830 0.000 1.019 91 F HN -0.095 nan 8.300 nan 0.000 0.489 92 I N -1.099 119.671 120.570 0.333 0.000 2.226 92 I HA -0.355 3.815 4.170 0.000 0.000 0.245 92 I C 2.334 178.565 176.117 0.190 0.000 1.100 92 I CA 1.028 62.551 61.300 0.371 0.000 1.374 92 I CB -0.552 37.671 38.000 0.371 0.000 1.057 92 I HN 0.224 nan 8.210 nan 0.000 0.413 93 C N 0.355 119.763 119.300 0.180 0.000 2.446 93 C HA -0.123 4.338 4.460 0.000 0.000 0.277 93 C C 2.722 177.763 174.990 0.085 0.000 1.275 93 C CA 0.400 59.545 59.018 0.212 0.000 1.727 93 C CB -0.936 26.959 27.740 0.258 0.000 2.010 93 C HN 0.448 nan 8.230 nan 0.000 0.486 94 L N -0.338 120.880 121.223 -0.008 0.000 1.989 94 L HA -0.206 4.134 4.340 0.000 0.000 0.211 94 L C 2.666 179.585 176.870 0.081 0.000 1.071 94 L CA 1.871 56.679 54.840 -0.054 0.000 0.749 94 L CB -0.699 41.158 42.059 -0.335 0.000 0.890 94 L HN 0.323 nan 8.230 nan 0.000 0.431 95 Y N -1.111 119.260 120.300 0.118 0.000 2.224 95 Y HA -0.237 4.313 4.550 0.000 0.000 0.289 95 Y C 2.589 178.500 175.900 0.019 0.000 1.146 95 Y CA 0.717 58.864 58.100 0.078 0.000 1.182 95 Y CB -0.661 37.866 38.460 0.113 0.000 0.983 95 Y HN 0.167 nan 8.280 nan 0.000 0.524 96 M N -1.097 118.545 119.600 0.070 0.000 2.099 96 M HA -0.211 4.269 4.480 0.000 0.000 0.262 96 M C 2.143 178.427 176.300 -0.027 0.000 1.067 96 M CA 1.815 57.029 55.300 -0.143 0.000 1.124 96 M CB -1.547 30.476 32.600 -0.962 0.000 1.353 96 M HN 0.335 nan 8.290 nan 0.000 0.410 97 H N 0.660 119.693 119.070 -0.061 0.000 2.290 97 H HA -0.099 4.457 4.556 0.000 0.000 0.298 97 H C 1.971 177.368 175.328 0.115 0.000 1.087 97 H CA 2.184 58.291 56.048 0.098 0.000 1.291 97 H CB -0.109 29.739 29.762 0.143 0.000 1.369 97 H HN 0.067 nan 8.280 nan 0.000 0.492 98 V N -0.069 119.958 119.914 0.187 0.000 2.343 98 V HA -0.188 3.932 4.120 0.000 0.000 0.247 98 V C 2.730 178.937 176.094 0.188 0.000 1.051 98 V CA 1.777 64.172 62.300 0.159 0.000 1.036 98 V CB -1.200 30.714 31.823 0.151 0.000 0.654 98 V HN 0.726 nan 8.190 nan 0.000 0.451 99 G N 0.083 108.955 108.800 0.119 0.000 2.440 99 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 99 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 99 G C 1.730 176.649 174.900 0.032 0.000 1.154 99 G CA 0.868 46.033 45.100 0.108 0.000 0.767 99 G HN 0.337 nan 8.290 nan 0.000 0.552 100 R N 1.250 121.711 120.500 -0.065 0.000 2.073 100 R HA -0.051 4.289 4.340 0.000 0.000 0.234 100 R C 2.686 178.968 176.300 -0.030 0.000 1.134 100 R CA 2.026 58.060 56.100 -0.109 0.000 0.952 100 R CB -1.342 28.899 30.300 -0.098 0.000 0.850 100 R HN 0.283 nan 8.270 nan 0.000 0.433 101 G N 1.215 110.029 108.800 0.023 0.000 2.422 101 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 101 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 101 G C 1.768 176.717 174.900 0.081 0.000 1.146 101 G CA 0.743 45.913 45.100 0.117 0.000 0.769 101 G HN 0.316 nan 8.290 nan 0.000 0.547 102 L N -1.323 120.024 121.223 0.205 0.000 2.027 102 L HA -0.005 4.335 4.340 0.000 0.000 0.206 102 L C 2.567 179.438 176.870 0.001 0.000 1.074 102 L CA 1.098 56.070 54.840 0.220 0.000 0.745 102 L CB -0.528 41.703 42.059 0.286 0.000 0.898 102 L HN 0.242 nan 8.230 nan 0.000 0.433 103 Y N -0.284 119.755 120.300 -0.436 0.000 2.181 103 Y HA -0.271 4.279 4.550 0.000 0.000 0.288 103 Y C 2.020 177.403 175.900 -0.862 0.000 1.146 103 Y CA 1.597 59.090 58.100 -1.013 0.000 1.164 103 Y CB -0.112 37.316 38.460 -1.720 0.000 0.982 103 Y HN 0.067 nan 8.280 nan 0.000 0.515 104 Y N -0.219 119.995 120.300 -0.143 0.000 2.466 104 Y HA 0.267 4.817 4.550 0.000 0.000 0.272 104 Y C 1.800 177.504 175.900 -0.327 0.000 1.169 104 Y CA 0.217 58.233 58.100 -0.139 0.000 1.285 104 Y CB -0.082 38.412 38.460 0.057 0.000 1.078 104 Y HN 0.205 nan 8.280 nan 0.000 0.523 105 G N -0.444 108.075 108.800 -0.468 0.000 2.198 105 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 105 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 105 G C 1.193 175.423 174.900 -1.116 0.000 1.025 105 G CA 0.657 45.127 45.100 -1.050 0.000 0.769 105 G HN 0.367 nan 8.290 nan 0.000 0.507 106 S N -0.558 114.704 115.700 -0.730 0.000 2.447 106 S HA -0.064 4.406 4.470 0.000 0.000 0.233 106 S C 1.920 176.182 174.600 -0.564 0.000 1.006 106 S CA 1.596 59.462 58.200 -0.556 0.000 0.957 106 S CB -0.372 62.734 63.200 -0.156 0.000 0.773 106 S HN 0.976 nan 8.310 nan 0.000 0.507 107 Y N 2.305 122.246 120.300 -0.600 0.000 2.651 107 Y HA -0.048 4.502 4.550 0.000 0.000 0.296 107 Y C 2.159 177.741 175.900 -0.530 0.000 1.150 107 Y CA 0.822 58.360 58.100 -0.938 0.000 1.348 107 Y CB -2.141 35.051 38.460 -2.114 0.000 0.983 107 Y HN 0.272 nan 8.280 nan 0.000 0.555 108 T N -3.594 110.626 114.554 -0.557 0.000 3.072 108 T HA -0.066 4.284 4.350 0.000 0.000 0.266 108 T C 0.210 174.869 174.700 -0.068 0.000 1.127 108 T CA 0.030 61.937 62.100 -0.321 0.000 1.107 108 T CB -0.783 67.795 68.868 -0.484 0.000 0.910 108 T HN 0.136 nan 8.240 nan 0.000 0.513 109 F N 2.541 122.465 119.950 -0.044 0.000 2.605 109 F HA 0.476 5.004 4.527 0.000 0.000 0.352 109 F C 1.370 177.224 175.800 0.090 0.000 1.236 109 F CA -2.318 55.705 58.000 0.037 0.000 1.267 109 F CB -0.763 38.281 39.000 0.074 0.000 1.632 109 F HN 0.053 nan 8.300 nan 0.000 0.639 110 L N 0.175 121.532 121.223 0.223 0.000 1.997 110 L HA -0.282 4.058 4.340 0.000 0.000 0.216 110 L C 2.062 179.012 176.870 0.133 0.000 1.074 110 L CA 1.611 56.555 54.840 0.173 0.000 0.763 110 L CB -0.378 41.738 42.059 0.096 0.000 0.890 110 L HN 0.274 nan 8.230 nan 0.000 0.434 111 E N -0.204 119.976 120.200 -0.034 0.000 2.051 111 E HA -0.159 4.191 4.350 0.000 0.000 0.192 111 E C 2.165 178.649 176.600 -0.195 0.000 0.991 111 E CA 1.791 57.985 56.400 -0.344 0.000 0.799 111 E CB -0.693 28.417 29.700 -0.984 0.000 0.748 111 E HN 0.360 nan 8.360 nan 0.000 0.449 112 T N 0.656 115.220 114.554 0.015 0.000 2.684 112 T HA -0.193 4.157 4.350 0.000 0.000 0.267 112 T C 1.332 176.258 174.700 0.377 0.000 1.036 112 T CA 1.295 63.511 62.100 0.193 0.000 1.148 112 T CB -0.431 68.536 68.868 0.166 0.000 0.863 112 T HN 0.399 nan 8.240 nan 0.000 0.436 113 W N 2.374 123.784 121.300 0.184 0.000 2.358 113 W HA -0.136 4.524 4.660 0.000 0.000 0.303 113 W C 1.693 178.287 176.519 0.125 0.000 1.208 113 W CA 0.964 58.422 57.345 0.188 0.000 1.274 113 W CB -0.384 29.182 29.460 0.177 0.000 1.138 113 W HN 0.225 nan 8.180 nan 0.000 0.515 114 N N 0.912 119.728 118.700 0.193 0.000 2.244 114 N HA -0.139 4.601 4.740 0.000 0.000 0.183 114 N C 1.745 177.234 175.510 -0.036 0.000 1.016 114 N CA 1.690 54.762 53.050 0.037 0.000 0.866 114 N CB -0.679 37.850 38.487 0.071 0.000 0.980 114 N HN 0.285 nan 8.380 nan 0.000 0.430 115 I N 0.496 121.072 120.570 0.010 0.000 2.394 115 I HA -0.117 4.053 4.170 0.000 0.000 0.251 115 I C 2.354 178.422 176.117 -0.082 0.000 1.136 115 I CA 0.875 62.185 61.300 0.016 0.000 1.425 115 I CB -0.435 37.646 38.000 0.136 0.000 1.079 115 I HN 0.110 nan 8.210 nan 0.000 0.425 116 G N 0.573 109.313 108.800 -0.100 0.000 2.418 116 G HA2 -0.193 3.768 3.960 0.000 0.000 0.217 116 G HA3 -0.193 3.768 3.960 0.000 0.000 0.217 116 G C 1.698 176.413 174.900 -0.308 0.000 1.158 116 G CA 0.882 45.803 45.100 -0.298 0.000 0.771 116 G HN 0.242 nan 8.290 nan 0.000 0.545 117 V N 1.100 120.808 119.914 -0.344 0.000 2.407 117 V HA -0.155 3.965 4.120 0.000 0.000 0.248 117 V C 2.761 178.770 176.094 -0.142 0.000 1.055 117 V CA 1.497 63.635 62.300 -0.270 0.000 1.049 117 V CB -0.348 31.333 31.823 -0.235 0.000 0.662 117 V HN 0.401 nan 8.190 nan 0.000 0.455 118 I N -0.684 119.818 120.570 -0.113 0.000 2.315 118 I HA -0.224 3.946 4.170 0.000 0.000 0.248 118 I C 2.292 178.356 176.117 -0.089 0.000 1.117 118 I CA 1.372 62.629 61.300 -0.071 0.000 1.404 118 I CB -0.245 37.728 38.000 -0.045 0.000 1.071 118 I HN 0.258 nan 8.210 nan 0.000 0.419 119 L N -0.182 120.961 121.223 -0.133 0.000 2.017 119 L HA -0.235 4.105 4.340 0.000 0.000 0.208 119 L C 2.551 179.328 176.870 -0.155 0.000 1.073 119 L CA 1.007 55.755 54.840 -0.154 0.000 0.745 119 L CB -0.527 41.398 42.059 -0.222 0.000 0.894 119 L HN 0.271 nan 8.230 nan 0.000 0.432 120 L N -0.096 121.042 121.223 -0.142 0.000 2.012 120 L HA -0.227 4.113 4.340 0.000 0.000 0.210 120 L C 2.321 179.170 176.870 -0.035 0.000 1.073 120 L CA 1.819 56.600 54.840 -0.098 0.000 0.748 120 L CB -0.487 41.545 42.059 -0.046 0.000 0.891 120 L HN 0.101 nan 8.230 nan 0.000 0.431 121 L N -1.194 120.017 121.223 -0.021 0.000 2.083 121 L HA -0.204 4.136 4.340 0.000 0.000 0.209 121 L C 2.283 179.153 176.870 0.001 0.000 1.083 121 L CA 1.712 56.558 54.840 0.010 0.000 0.752 121 L CB -0.971 41.088 42.059 0.001 0.000 0.899 121 L HN 0.306 nan 8.230 nan 0.000 0.433 122 T N -1.075 113.454 114.554 -0.042 0.000 2.857 122 T HA -0.105 4.245 4.350 0.000 0.000 0.266 122 T C 1.983 176.636 174.700 -0.078 0.000 1.048 122 T CA 1.006 63.076 62.100 -0.050 0.000 1.139 122 T CB -0.084 68.744 68.868 -0.067 0.000 0.874 122 T HN 0.050 nan 8.240 nan 0.000 0.455 123 V N 1.556 121.368 119.914 -0.170 0.000 2.427 123 V HA -0.117 4.003 4.120 0.000 0.000 0.248 123 V C 2.459 178.506 176.094 -0.080 0.000 1.051 123 V CA 1.444 63.546 62.300 -0.330 0.000 1.048 123 V CB -0.577 30.795 31.823 -0.752 0.000 0.666 123 V HN 0.485 nan 8.190 nan 0.000 0.456 124 M N -0.137 119.538 119.600 0.125 0.000 2.117 124 M HA -0.165 4.315 4.480 0.000 0.000 0.262 124 M C 2.360 178.904 176.300 0.407 0.000 1.065 124 M CA 2.175 57.747 55.300 0.452 0.000 1.114 124 M CB -0.556 32.271 32.600 0.379 0.000 1.361 124 M HN 0.400 nan 8.290 nan 0.000 0.408 125 A N -0.365 122.593 122.820 0.230 0.000 1.930 125 A HA -0.119 4.201 4.320 0.000 0.000 0.217 125 A C 2.173 179.919 177.584 0.269 0.000 1.175 125 A CA 2.026 54.224 52.037 0.268 0.000 0.627 125 A CB -0.981 18.096 19.000 0.129 0.000 0.815 125 A HN 0.440 nan 8.150 nan 0.000 0.443 126 T N 0.121 114.775 114.554 0.167 0.000 2.737 126 T HA 0.039 4.389 4.350 0.000 0.000 0.265 126 T C 2.253 177.138 174.700 0.308 0.000 1.038 126 T CA 1.458 63.660 62.100 0.170 0.000 1.144 126 T CB -0.382 68.479 68.868 -0.012 0.000 0.866 126 T HN 0.566 nan 8.240 nan 0.000 0.434 127 A N 1.412 124.392 122.820 0.266 0.000 1.898 127 A HA -0.009 4.311 4.320 0.000 0.000 0.216 127 A C 2.003 179.803 177.584 0.360 0.000 1.181 127 A CA 1.396 53.602 52.037 0.281 0.000 0.620 127 A CB -0.922 18.220 19.000 0.237 0.000 0.819 127 A HN 0.508 nan 8.150 nan 0.000 0.442 128 F N 0.746 120.915 119.950 0.365 0.000 2.069 128 F HA -0.210 4.317 4.527 0.000 0.000 0.298 128 F C 2.156 178.141 175.800 0.308 0.000 1.113 128 F CA 2.147 60.383 58.000 0.395 0.000 1.214 128 F CB -0.631 38.561 39.000 0.320 0.000 0.978 128 F HN 0.178 nan 8.300 nan 0.000 0.474 129 M N 0.391 119.739 119.600 -0.418 0.000 2.159 129 M HA -0.078 4.402 4.480 0.000 0.000 0.263 129 M C 2.501 178.636 176.300 -0.275 0.000 1.063 129 M CA 1.626 56.611 55.300 -0.524 0.000 1.110 129 M CB -1.344 31.048 32.600 -0.347 0.000 1.374 129 M HN 0.387 nan 8.290 nan 0.000 0.411 130 G N -0.696 107.852 108.800 -0.420 0.000 2.418 130 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 130 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 130 G C 1.312 176.095 174.900 -0.196 0.000 1.158 130 G CA 0.547 45.109 45.100 -0.896 0.000 0.771 130 G HN 0.387 nan 8.290 nan 0.000 0.545 131 Y N 1.190 121.424 120.300 -0.111 0.000 2.403 131 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 131 Y C 2.708 178.629 175.900 0.035 0.000 1.143 131 Y CA 0.660 58.765 58.100 0.008 0.000 1.257 131 Y CB -0.036 38.496 38.460 0.119 0.000 0.984 131 Y HN 0.067 nan 8.280 nan 0.000 0.550 132 V N -0.241 119.699 119.914 0.042 0.000 2.719 132 V HA -0.261 3.860 4.120 0.000 0.000 0.252 132 V C 2.363 178.548 176.094 0.151 0.000 1.065 132 V CA 1.235 63.586 62.300 0.085 0.000 1.086 132 V CB -0.597 31.343 31.823 0.196 0.000 0.700 132 V HN 0.362 nan 8.190 nan 0.000 0.467 133 L N 0.894 122.132 121.223 0.025 0.000 2.043 133 L HA -0.137 4.203 4.340 0.000 0.000 0.212 133 L C 0.071 177.006 176.870 0.108 0.000 1.075 133 L CA 1.747 56.572 54.840 -0.024 0.000 0.752 133 L CB -2.140 39.663 42.059 -0.426 0.000 0.891 133 L HN 0.388 nan 8.230 nan 0.000 0.432 134 P HA -0.245 nan 4.420 nan 0.000 0.226 134 P C 0.450 177.963 177.300 0.355 0.000 1.153 134 P CA 0.824 63.987 63.100 0.105 0.000 0.777 134 P CB -0.119 31.530 31.700 -0.084 0.000 0.794 135 W N 0.123 121.450 121.300 0.045 0.000 4.949 135 W HA -0.146 4.514 4.660 0.000 0.000 0.380 135 W C -0.012 176.594 176.519 0.145 0.000 1.446 135 W CA 0.017 57.410 57.345 0.081 0.000 0.869 135 W CB -1.405 28.114 29.460 0.098 0.000 2.591 135 W HN -0.049 nan 8.180 nan 0.000 1.398 136 G N 0.440 109.320 108.800 0.134 0.000 2.532 136 G HA2 0.200 4.160 3.960 0.000 0.000 0.291 136 G HA3 0.200 4.160 3.960 0.000 0.000 0.291 136 G C 0.585 175.425 174.900 -0.100 0.000 1.349 136 G CA 0.068 45.227 45.100 0.099 0.000 1.038 136 G HN 0.196 nan 8.290 nan 0.000 0.518 137 Q N -0.940 118.845 119.800 -0.025 0.000 2.084 137 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 137 Q C 2.727 178.817 176.000 0.149 0.000 0.978 137 Q CA 1.109 56.951 55.803 0.065 0.000 0.844 137 Q CB -0.225 28.608 28.738 0.158 0.000 0.898 137 Q HN 0.441 nan 8.270 nan 0.000 0.426 138 M N 0.063 119.710 119.600 0.078 0.000 2.175 138 M HA -0.074 4.406 4.480 0.000 0.000 0.264 138 M C 2.191 178.479 176.300 -0.020 0.000 1.063 138 M CA 1.030 56.398 55.300 0.112 0.000 1.119 138 M CB -1.046 31.646 32.600 0.154 0.000 1.377 138 M HN 0.013 nan 8.290 nan 0.000 0.415 139 S N 0.761 116.312 115.700 -0.247 0.000 2.353 139 S HA -0.165 4.305 4.470 0.000 0.000 0.222 139 S C 1.776 176.258 174.600 -0.196 0.000 1.035 139 S CA 1.404 59.468 58.200 -0.228 0.000 1.025 139 S CB -0.598 62.501 63.200 -0.168 0.000 0.902 139 S HN 0.424 nan 8.310 nan 0.000 0.440 140 F N 0.585 120.186 119.950 -0.582 0.000 2.113 140 F HA -0.067 4.460 4.527 0.000 0.000 0.297 140 F C 1.831 177.158 175.800 -0.788 0.000 1.103 140 F CA 1.292 58.719 58.000 -0.955 0.000 1.248 140 F CB -0.342 37.835 39.000 -1.371 0.000 0.999 140 F HN 0.224 nan 8.300 nan 0.000 0.475 141 W N 0.007 121.321 121.300 0.024 0.000 2.436 141 W HA 0.085 4.745 4.660 0.000 0.000 0.284 141 W C 2.594 179.138 176.519 0.042 0.000 1.225 141 W CA 0.894 58.257 57.345 0.031 0.000 1.271 141 W CB -1.055 28.457 29.460 0.085 0.000 1.114 141 W HN 0.084 nan 8.180 nan 0.000 0.559 142 G N 0.468 109.413 108.800 0.241 0.000 2.402 142 G HA2 -0.207 3.754 3.960 0.000 0.000 0.216 142 G HA3 -0.207 3.754 3.960 0.000 0.000 0.216 142 G C 1.674 176.803 174.900 0.382 0.000 1.162 142 G CA 1.287 46.581 45.100 0.323 0.000 0.777 142 G HN 0.271 nan 8.290 nan 0.000 0.539 143 A N 0.206 123.209 122.820 0.304 0.000 1.933 143 A HA 0.008 4.328 4.320 0.000 0.000 0.218 143 A C 2.522 180.243 177.584 0.229 0.000 1.175 143 A CA 2.414 54.686 52.037 0.392 0.000 0.628 143 A CB -0.818 18.178 19.000 -0.006 0.000 0.814 143 A HN 0.305 nan 8.150 nan 0.000 0.444 144 T N -0.431 114.089 114.554 -0.057 0.000 2.701 144 T HA -0.102 4.248 4.350 0.000 0.000 0.263 144 T C 1.930 176.802 174.700 0.286 0.000 1.040 144 T CA 1.614 63.743 62.100 0.048 0.000 1.147 144 T CB -0.486 68.334 68.868 -0.081 0.000 0.865 144 T HN 0.143 nan 8.240 nan 0.000 0.426 145 V N 1.429 121.484 119.914 0.235 0.000 2.261 145 V HA -0.140 3.980 4.120 0.000 0.000 0.246 145 V C 2.434 178.586 176.094 0.097 0.000 1.047 145 V CA 1.596 64.006 62.300 0.183 0.000 1.015 145 V CB -0.621 31.298 31.823 0.160 0.000 0.642 145 V HN 0.451 nan 8.190 nan 0.000 0.446 146 I N -0.019 120.558 120.570 0.012 0.000 2.226 146 I HA -0.227 3.943 4.170 0.000 0.000 0.245 146 I C 2.492 178.570 176.117 -0.064 0.000 1.100 146 I CA 1.863 63.041 61.300 -0.202 0.000 1.374 146 I CB -0.587 36.946 38.000 -0.779 0.000 1.057 146 I HN 0.342 nan 8.210 nan 0.000 0.413 147 T N 0.217 114.880 114.554 0.181 0.000 2.821 147 T HA -0.104 4.246 4.350 0.000 0.000 0.267 147 T C 1.672 176.414 174.700 0.071 0.000 1.046 147 T CA 0.969 63.209 62.100 0.234 0.000 1.139 147 T CB -0.302 68.865 68.868 0.499 0.000 0.871 147 T HN 0.258 nan 8.240 nan 0.000 0.454 148 N N 1.225 120.001 118.700 0.127 0.000 2.585 148 N HA 0.062 4.802 4.740 0.000 0.000 0.188 148 N C 1.620 177.135 175.510 0.009 0.000 1.102 148 N CA 0.364 53.447 53.050 0.055 0.000 0.920 148 N CB -0.327 38.257 38.487 0.162 0.000 0.963 148 N HN 0.426 nan 8.380 nan 0.000 0.447 149 L N 0.187 121.406 121.223 -0.005 0.000 2.131 149 L HA -0.133 4.207 4.340 0.000 0.000 0.210 149 L C 1.985 178.837 176.870 -0.030 0.000 1.092 149 L CA 0.753 55.575 54.840 -0.029 0.000 0.759 149 L CB -0.338 41.684 42.059 -0.062 0.000 0.903 149 L HN 0.148 nan 8.230 nan 0.000 0.435 150 L N -0.364 120.840 121.223 -0.031 0.000 2.275 150 L HA -0.148 4.192 4.340 0.000 0.000 0.215 150 L C 2.683 179.528 176.870 -0.041 0.000 1.119 150 L CA 1.112 55.934 54.840 -0.030 0.000 0.790 150 L CB -0.533 41.513 42.059 -0.022 0.000 0.919 150 L HN 0.377 nan 8.230 nan 0.000 0.443 151 S N -0.207 115.462 115.700 -0.051 0.000 2.547 151 S HA -0.046 4.424 4.470 0.000 0.000 0.235 151 S C 1.934 176.509 174.600 -0.042 0.000 0.980 151 S CA 0.609 58.779 58.200 -0.049 0.000 0.941 151 S CB -0.148 63.026 63.200 -0.043 0.000 0.763 151 S HN 0.338 nan 8.310 nan 0.000 0.532 152 A N 1.058 123.855 122.820 -0.038 0.000 2.167 152 A HA 0.382 4.703 4.320 0.000 0.000 0.214 152 A C 0.894 178.449 177.584 -0.048 0.000 1.151 152 A CA -0.060 51.951 52.037 -0.043 0.000 0.735 152 A CB -0.534 18.444 19.000 -0.037 0.000 0.802 152 A HN 0.623 nan 8.150 nan 0.000 0.467 153 I N 1.505 122.053 120.570 -0.036 0.000 2.533 153 I HA 0.101 4.271 4.170 0.000 0.000 0.284 153 I C -2.275 173.821 176.117 -0.034 0.000 1.109 153 I CA -1.825 59.462 61.300 -0.023 0.000 1.412 153 I CB 0.840 38.836 38.000 -0.006 0.000 1.396 153 I HN 0.027 nan 8.210 nan 0.000 0.543 154 P HA -0.034 nan 4.420 nan 0.000 0.262 154 P C -0.460 176.865 177.300 0.043 0.000 1.182 154 P CA 0.540 63.553 63.100 -0.146 0.000 0.761 154 P CB 0.130 31.795 31.700 -0.059 0.000 0.795 155 Y N 1.234 121.525 120.300 -0.016 0.000 3.062 155 Y HA -0.320 4.230 4.550 0.000 0.000 0.481 155 Y C 1.477 177.368 175.900 -0.016 0.000 1.129 155 Y CA 1.671 59.763 58.100 -0.014 0.000 2.748 155 Y CB -2.143 36.307 38.460 -0.016 0.000 0.834 155 Y HN 0.458 nan 8.280 nan 0.000 0.534 156 I N -3.059 117.592 120.570 0.134 0.000 4.181 156 I HA 0.500 4.670 4.170 0.000 0.000 0.331 156 I C 2.073 178.201 176.117 0.017 0.000 1.312 156 I CA 0.726 62.062 61.300 0.060 0.000 1.146 156 I CB -0.122 37.899 38.000 0.034 0.000 1.074 156 I HN 0.167 nan 8.210 nan 0.000 0.402 157 G N 1.995 110.798 108.800 0.005 0.000 2.513 157 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 157 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 157 G C 1.465 176.343 174.900 -0.037 0.000 1.160 157 G CA 2.008 47.095 45.100 -0.021 0.000 0.767 157 G HN 0.386 nan 8.290 nan 0.000 0.571 158 T N 1.124 115.663 114.554 -0.024 0.000 2.720 158 T HA -0.131 4.219 4.350 0.000 0.000 0.268 158 T C 2.347 177.039 174.700 -0.014 0.000 1.037 158 T CA 1.285 63.368 62.100 -0.027 0.000 1.144 158 T CB -0.277 68.600 68.868 0.014 0.000 0.864 158 T HN 0.306 nan 8.240 nan 0.000 0.444 159 N N 1.171 119.883 118.700 0.020 0.000 2.120 159 N HA -0.006 4.734 4.740 0.000 0.000 0.188 159 N C 1.955 177.498 175.510 0.055 0.000 1.024 159 N CA 0.908 53.985 53.050 0.045 0.000 0.852 159 N CB -0.404 38.101 38.487 0.029 0.000 1.003 159 N HN 0.344 nan 8.380 nan 0.000 0.424 160 L N 0.855 122.092 121.223 0.023 0.000 2.017 160 L HA -0.142 4.198 4.340 0.000 0.000 0.208 160 L C 2.411 179.331 176.870 0.084 0.000 1.073 160 L CA 0.850 55.737 54.840 0.078 0.000 0.745 160 L CB -0.477 41.600 42.059 0.030 0.000 0.894 160 L HN -0.052 nan 8.230 nan 0.000 0.432 161 V N -0.029 119.811 119.914 -0.124 0.000 2.255 161 V HA -0.314 3.806 4.120 0.000 0.000 0.247 161 V C 2.355 178.108 176.094 -0.569 0.000 1.051 161 V CA 2.080 64.106 62.300 -0.458 0.000 1.018 161 V CB -0.595 30.819 31.823 -0.680 0.000 0.641 161 V HN 0.498 nan 8.190 nan 0.000 0.445 162 E N -1.292 118.738 120.200 -0.284 0.000 2.153 162 E HA -0.273 4.077 4.350 0.000 0.000 0.194 162 E C 1.924 178.566 176.600 0.070 0.000 0.988 162 E CA 1.529 57.897 56.400 -0.054 0.000 0.811 162 E CB -0.237 29.502 29.700 0.066 0.000 0.746 162 E HN 0.804 nan 8.360 nan 0.000 0.466 163 W N 1.722 122.981 121.300 -0.068 0.000 2.379 163 W HA -0.149 4.511 4.660 0.000 0.000 0.307 163 W C 1.796 178.349 176.519 0.057 0.000 1.200 163 W CA 0.952 58.294 57.345 -0.004 0.000 1.297 163 W CB -0.110 29.350 29.460 -0.000 0.000 1.140 163 W HN -0.099 nan 8.180 nan 0.000 0.507 164 I N -0.047 120.542 120.570 0.030 0.000 2.163 164 I HA -0.317 3.853 4.170 0.000 0.000 0.243 164 I C 2.082 178.254 176.117 0.093 0.000 1.085 164 I CA 1.577 62.856 61.300 -0.035 0.000 1.347 164 I CB -2.010 36.083 38.000 0.154 0.000 1.044 164 I HN 0.155 nan 8.210 nan 0.000 0.408 165 W N 0.836 122.130 121.300 -0.011 0.000 2.392 165 W HA 0.041 4.701 4.660 0.000 0.000 0.279 165 W C 1.824 178.252 176.519 -0.152 0.000 1.225 165 W CA 1.434 58.729 57.345 -0.084 0.000 1.233 165 W CB -1.246 28.177 29.460 -0.063 0.000 1.122 165 W HN 0.459 nan 8.180 nan 0.000 0.561 166 G N 0.273 109.098 108.800 0.042 0.000 2.182 166 G HA2 0.109 4.069 3.960 0.000 0.000 0.248 166 G HA3 0.109 4.069 3.960 0.000 0.000 0.248 166 G C 0.409 175.262 174.900 -0.078 0.000 1.042 166 G CA 0.398 45.456 45.100 -0.070 0.000 0.775 166 G HN 0.780 nan 8.290 nan 0.000 0.501 167 G N -2.292 106.465 108.800 -0.072 0.000 2.323 167 G HA2 0.528 4.488 3.960 0.000 0.000 0.291 167 G HA3 0.528 4.488 3.960 0.000 0.000 0.291 167 G C -0.074 174.700 174.900 -0.210 0.000 1.278 167 G CA 0.076 45.009 45.100 -0.279 0.000 0.860 167 G HN 0.472 nan 8.290 nan 0.000 0.504 168 F N 1.709 121.814 119.950 0.259 0.000 2.765 168 F HA 0.472 4.999 4.527 0.000 0.000 0.302 168 F C 1.460 177.497 175.800 0.394 0.000 1.111 168 F CA 0.191 58.386 58.000 0.326 0.000 1.359 168 F CB 0.337 39.454 39.000 0.196 0.000 1.097 168 F HN 0.623 nan 8.300 nan 0.000 0.577 169 S N -2.178 113.672 115.700 0.251 0.000 2.587 169 S HA 0.504 4.974 4.470 0.000 0.000 0.269 169 S C -0.995 173.148 174.600 -0.762 0.000 1.154 169 S CA -1.158 56.806 58.200 -0.393 0.000 0.824 169 S CB 1.149 64.273 63.200 -0.127 0.000 1.118 169 S HN -0.252 nan 8.310 nan 0.000 0.462 170 V N 2.446 121.543 119.914 -1.361 0.000 2.493 170 V HA 0.357 4.477 4.120 0.000 0.000 0.292 170 V C 0.158 176.058 176.094 -0.323 0.000 1.016 170 V CA 1.041 62.705 62.300 -1.059 0.000 1.097 170 V CB 0.201 31.210 31.823 -1.356 0.000 0.947 170 V HN 0.952 nan 8.190 nan 0.000 0.479 171 D N 2.830 123.146 120.400 -0.140 0.000 3.236 171 D HA 0.279 4.919 4.640 0.000 0.000 0.325 171 D C 1.005 177.246 176.300 -0.098 0.000 1.352 171 D CA -0.699 53.324 54.000 0.038 0.000 0.979 171 D CB 1.146 41.938 40.800 -0.014 0.000 1.410 171 D HN 0.224 nan 8.370 nan 0.000 0.588 172 K N -0.039 120.283 120.400 -0.130 0.000 2.059 172 K HA -0.178 4.142 4.320 0.000 0.000 0.212 172 K C 1.816 178.272 176.600 -0.240 0.000 1.050 172 K CA 1.874 58.021 56.287 -0.234 0.000 0.927 172 K CB -0.311 32.093 32.500 -0.161 0.000 0.714 172 K HN 0.351 nan 8.250 nan 0.000 0.447 173 A N 0.927 123.644 122.820 -0.171 0.000 1.940 173 A HA -0.176 4.144 4.320 0.000 0.000 0.219 173 A C 2.228 179.694 177.584 -0.197 0.000 1.176 173 A CA 2.200 54.141 52.037 -0.159 0.000 0.631 173 A CB -0.925 18.006 19.000 -0.116 0.000 0.814 173 A HN 0.341 nan 8.150 nan 0.000 0.446 174 T N 0.013 114.424 114.554 -0.239 0.000 2.737 174 T HA -0.122 4.228 4.350 0.000 0.000 0.265 174 T C 1.833 176.240 174.700 -0.488 0.000 1.038 174 T CA 1.426 63.304 62.100 -0.370 0.000 1.144 174 T CB -0.396 68.203 68.868 -0.449 0.000 0.866 174 T HN 0.295 nan 8.240 nan 0.000 0.434 175 L N 1.304 122.243 121.223 -0.472 0.000 2.046 175 L HA -0.071 4.269 4.340 0.000 0.000 0.208 175 L C 2.464 179.226 176.870 -0.179 0.000 1.077 175 L CA 1.869 56.447 54.840 -0.437 0.000 0.747 175 L CB -1.326 40.223 42.059 -0.851 0.000 0.896 175 L HN 0.195 nan 8.230 nan 0.000 0.432 176 T N 0.453 114.891 114.554 -0.192 0.000 2.746 176 T HA -0.190 4.160 4.350 0.000 0.000 0.267 176 T C 1.820 176.481 174.700 -0.065 0.000 1.039 176 T CA 1.679 63.735 62.100 -0.074 0.000 1.142 176 T CB -0.271 68.529 68.868 -0.114 0.000 0.866 176 T HN 0.545 nan 8.240 nan 0.000 0.444 177 R N 0.039 120.428 120.500 -0.186 0.000 2.148 177 R HA 0.039 4.379 4.340 0.000 0.000 0.223 177 R C 1.795 177.785 176.300 -0.516 0.000 1.088 177 R CA 1.086 56.912 56.100 -0.457 0.000 0.985 177 R CB -0.701 29.278 30.300 -0.535 0.000 0.880 177 R HN 0.243 nan 8.270 nan 0.000 0.451 178 F N 0.728 120.475 119.950 -0.338 0.000 2.234 178 F HA -0.028 4.499 4.527 0.000 0.000 0.299 178 F C 1.999 177.854 175.800 0.093 0.000 1.087 178 F CA 0.091 58.031 58.000 -0.100 0.000 1.340 178 F CB -0.642 38.344 39.000 -0.023 0.000 1.031 178 F HN -0.024 nan 8.300 nan 0.000 0.500 179 F N 0.775 120.803 119.950 0.129 0.000 2.146 179 F HA -0.016 4.511 4.527 0.000 0.000 0.298 179 F C 2.244 178.170 175.800 0.210 0.000 1.096 179 F CA 1.112 59.227 58.000 0.190 0.000 1.275 179 F CB -0.912 38.229 39.000 0.234 0.000 1.008 179 F HN -0.095 nan 8.300 nan 0.000 0.480 180 A N -0.094 122.684 122.820 -0.071 0.000 1.930 180 A HA -0.106 4.214 4.320 0.000 0.000 0.217 180 A C 2.053 179.693 177.584 0.093 0.000 1.175 180 A CA 1.413 53.343 52.037 -0.179 0.000 0.627 180 A CB -1.313 17.557 19.000 -0.217 0.000 0.815 180 A HN 0.357 nan 8.150 nan 0.000 0.443 181 F N -0.588 119.405 119.950 0.072 0.000 2.146 181 F HA -0.054 4.473 4.527 0.000 0.000 0.298 181 F C 2.208 178.059 175.800 0.084 0.000 1.096 181 F CA 1.172 59.199 58.000 0.045 0.000 1.275 181 F CB -1.424 37.557 39.000 -0.033 0.000 1.008 181 F HN 0.484 nan 8.300 nan 0.000 0.480 182 H N -0.922 118.290 119.070 0.236 0.000 2.389 182 H HA -0.180 4.376 4.556 0.000 0.000 0.299 182 H C 2.099 177.537 175.328 0.184 0.000 1.081 182 H CA 1.515 57.664 56.048 0.168 0.000 1.345 182 H CB -0.475 29.391 29.762 0.174 0.000 1.393 182 H HN 0.099 nan 8.280 nan 0.000 0.520 183 F N -0.229 119.726 119.950 0.009 0.000 2.084 183 F HA -0.101 4.426 4.527 0.000 0.000 0.296 183 F C 2.268 178.133 175.800 0.108 0.000 1.111 183 F CA 1.218 59.199 58.000 -0.033 0.000 1.224 183 F CB -0.522 38.336 39.000 -0.238 0.000 0.991 183 F HN 0.284 nan 8.300 nan 0.000 0.471 184 I N -0.332 120.493 120.570 0.425 0.000 2.584 184 I HA -0.118 4.053 4.170 0.000 0.000 0.255 184 I C 2.110 178.389 176.117 0.269 0.000 1.145 184 I CA 1.055 62.583 61.300 0.381 0.000 1.462 184 I CB -0.624 37.499 38.000 0.206 0.000 1.102 184 I HN 0.125 nan 8.210 nan 0.000 0.433 185 L N 0.965 122.267 121.223 0.132 0.000 2.043 185 L HA -0.188 4.152 4.340 0.000 0.000 0.212 185 L C -0.372 176.478 176.870 -0.034 0.000 1.075 185 L CA 1.683 56.543 54.840 0.034 0.000 0.752 185 L CB -1.696 40.360 42.059 -0.005 0.000 0.891 185 L HN 0.207 nan 8.230 nan 0.000 0.432 186 P HA -0.166 nan 4.420 nan 0.000 0.218 186 P C 1.256 178.357 177.300 -0.332 0.000 1.148 186 P CA 1.447 64.366 63.100 -0.301 0.000 0.822 186 P CB 0.010 31.411 31.700 -0.498 0.000 0.784 187 F N -1.568 118.375 119.950 -0.012 0.000 2.293 187 F HA -0.007 4.520 4.527 0.000 0.000 0.297 187 F C 2.212 178.014 175.800 0.003 0.000 1.089 187 F CA 0.846 58.849 58.000 0.005 0.000 1.377 187 F CB -0.949 38.069 39.000 0.030 0.000 1.051 187 F HN -0.168 nan 8.300 nan 0.000 0.511 188 I N -0.224 120.434 120.570 0.145 0.000 2.252 188 I HA -0.279 3.891 4.170 0.000 0.000 0.245 188 I C 2.264 178.398 176.117 0.029 0.000 1.102 188 I CA 1.294 62.641 61.300 0.078 0.000 1.385 188 I CB -0.385 37.646 38.000 0.052 0.000 1.064 188 I HN 0.076 nan 8.210 nan 0.000 0.414 189 I N 0.163 120.725 120.570 -0.013 0.000 2.286 189 I HA -0.350 3.820 4.170 0.000 0.000 0.248 189 I C 2.650 178.754 176.117 -0.021 0.000 1.115 189 I CA 1.495 62.772 61.300 -0.038 0.000 1.392 189 I CB -0.207 37.746 38.000 -0.078 0.000 1.065 189 I HN 0.309 nan 8.210 nan 0.000 0.418 190 M N 0.522 120.109 119.600 -0.023 0.000 2.117 190 M HA -0.212 4.268 4.480 0.000 0.000 0.262 190 M C 2.386 178.702 176.300 0.025 0.000 1.065 190 M CA 2.169 57.465 55.300 -0.007 0.000 1.114 190 M CB -0.098 32.497 32.600 -0.008 0.000 1.361 190 M HN 0.260 nan 8.290 nan 0.000 0.408 191 A N 0.467 123.314 122.820 0.045 0.000 1.898 191 A HA -0.110 4.210 4.320 0.000 0.000 0.216 191 A C 1.935 179.546 177.584 0.045 0.000 1.181 191 A CA 1.510 53.575 52.037 0.046 0.000 0.620 191 A CB -0.937 18.096 19.000 0.055 0.000 0.819 191 A HN 0.617 nan 8.150 nan 0.000 0.442 192 I N -0.279 120.314 120.570 0.040 0.000 2.394 192 I HA -0.224 3.946 4.170 0.000 0.000 0.251 192 I C 2.857 179.017 176.117 0.071 0.000 1.136 192 I CA 0.871 62.201 61.300 0.050 0.000 1.425 192 I CB -0.250 37.762 38.000 0.019 0.000 1.079 192 I HN 0.347 nan 8.210 nan 0.000 0.425 193 A N 0.625 123.473 122.820 0.046 0.000 1.969 193 A HA -0.172 4.148 4.320 0.000 0.000 0.218 193 A C 2.348 180.003 177.584 0.119 0.000 1.169 193 A CA 1.358 53.443 52.037 0.080 0.000 0.635 193 A CB -0.471 18.550 19.000 0.035 0.000 0.810 193 A HN 0.331 nan 8.150 nan 0.000 0.445 194 M N -0.860 118.777 119.600 0.062 0.000 2.175 194 M HA -0.102 4.378 4.480 0.000 0.000 0.264 194 M C 2.011 178.325 176.300 0.023 0.000 1.063 194 M CA 1.128 56.441 55.300 0.022 0.000 1.119 194 M CB -0.305 32.296 32.600 0.001 0.000 1.377 194 M HN 0.250 nan 8.290 nan 0.000 0.415 195 V N -0.650 119.312 119.914 0.079 0.000 2.427 195 V HA -0.266 3.854 4.120 0.000 0.000 0.248 195 V C 2.242 178.483 176.094 0.244 0.000 1.051 195 V CA 2.112 64.481 62.300 0.114 0.000 1.048 195 V CB -0.968 30.960 31.823 0.175 0.000 0.666 195 V HN 0.468 nan 8.190 nan 0.000 0.456 196 H N 0.184 119.339 119.070 0.142 0.000 2.353 196 H HA -0.166 4.390 4.556 0.000 0.000 0.298 196 H C 2.027 177.428 175.328 0.122 0.000 1.103 196 H CA 2.042 58.188 56.048 0.162 0.000 1.293 196 H CB -0.197 29.630 29.762 0.108 0.000 1.372 196 H HN 0.316 nan 8.280 nan 0.000 0.501 197 L N -0.507 120.729 121.223 0.022 0.000 2.109 197 L HA -0.105 4.235 4.340 0.000 0.000 0.207 197 L C 2.470 179.131 176.870 -0.349 0.000 1.086 197 L CA 0.713 55.440 54.840 -0.188 0.000 0.760 197 L CB -0.287 41.654 42.059 -0.198 0.000 0.910 197 L HN 0.322 nan 8.230 nan 0.000 0.437 198 L N -1.344 119.722 121.223 -0.262 0.000 2.042 198 L HA -0.246 4.094 4.340 0.000 0.000 0.210 198 L C 2.476 179.193 176.870 -0.255 0.000 1.076 198 L CA 1.388 56.040 54.840 -0.313 0.000 0.749 198 L CB -0.520 41.359 42.059 -0.299 0.000 0.893 198 L HN 0.138 nan 8.230 nan 0.000 0.432 199 F N -0.569 119.320 119.950 -0.102 0.000 2.234 199 F HA -0.193 4.334 4.527 0.000 0.000 0.299 199 F C 2.186 177.907 175.800 -0.133 0.000 1.087 199 F CA 1.028 58.983 58.000 -0.076 0.000 1.340 199 F CB -0.317 38.668 39.000 -0.025 0.000 1.031 199 F HN -0.016 nan 8.300 nan 0.000 0.500 200 L N -0.573 120.652 121.223 0.003 0.000 2.109 200 L HA -0.165 4.175 4.340 0.000 0.000 0.207 200 L C 2.262 179.127 176.870 -0.008 0.000 1.086 200 L CA 1.960 56.745 54.840 -0.092 0.000 0.760 200 L CB -0.919 41.103 42.059 -0.062 0.000 0.910 200 L HN 0.211 nan 8.230 nan 0.000 0.437 201 H N -1.143 117.864 119.070 -0.105 0.000 2.518 201 H HA -0.075 4.481 4.556 0.000 0.000 0.289 201 H C 1.555 176.827 175.328 -0.093 0.000 1.051 201 H CA 0.550 56.545 56.048 -0.089 0.000 1.280 201 H CB 0.435 30.157 29.762 -0.068 0.000 1.380 201 H HN 0.400 nan 8.280 nan 0.000 0.566 202 E N 0.104 120.316 120.200 0.019 0.000 2.150 202 E HA -0.097 4.253 4.350 0.000 0.000 0.193 202 E C 2.293 178.863 176.600 -0.050 0.000 0.985 202 E CA 1.600 57.992 56.400 -0.014 0.000 0.814 202 E CB -0.051 29.646 29.700 -0.005 0.000 0.752 202 E HN 0.620 nan 8.360 nan 0.000 0.466 203 T N -3.242 111.224 114.554 -0.146 0.000 3.000 203 T HA 0.404 4.754 4.350 0.000 0.000 0.248 203 T C 1.056 175.675 174.700 -0.135 0.000 1.034 203 T CA 0.498 62.486 62.100 -0.186 0.000 1.060 203 T CB 0.661 69.243 68.868 -0.476 0.000 0.983 203 T HN 0.279 nan 8.240 nan 0.000 0.482 204 G N 1.072 109.785 108.800 -0.144 0.000 2.757 204 G HA2 -0.040 3.920 3.960 0.000 0.000 0.638 204 G HA3 -0.040 3.920 3.960 0.000 0.000 0.638 204 G C -0.422 174.487 174.900 0.016 0.000 1.344 204 G CA -0.498 44.575 45.100 -0.046 0.000 0.855 204 G HN 0.622 nan 8.290 nan 0.000 0.537 205 S N -0.054 115.728 115.700 0.136 0.000 2.603 205 S HA 0.513 4.983 4.470 0.000 0.000 0.268 205 S C 0.805 175.643 174.600 0.396 0.000 1.317 205 S CA 0.015 58.411 58.200 0.327 0.000 1.012 205 S CB 1.379 64.747 63.200 0.280 0.000 0.926 205 S HN 0.964 nan 8.310 nan 0.000 0.539 206 N N 1.031 120.067 118.700 0.561 0.000 2.405 206 N HA 0.378 5.118 4.740 0.000 0.000 0.269 206 N C -0.567 175.056 175.510 0.188 0.000 1.249 206 N CA -0.463 52.783 53.050 0.327 0.000 0.974 206 N CB 0.407 39.001 38.487 0.178 0.000 1.204 206 N HN 0.841 nan 8.380 nan 0.000 0.565 207 N N -2.319 116.387 118.700 0.009 0.000 2.732 207 N HA 0.486 5.226 4.740 0.000 0.000 0.259 207 N C -2.643 172.678 175.510 -0.316 0.000 1.402 207 N CA -1.205 51.577 53.050 -0.447 0.000 0.829 207 N CB 1.549 39.809 38.487 -0.377 0.000 1.495 207 N HN 0.152 nan 8.380 nan 0.000 0.511 208 P HA -0.214 nan 4.420 nan 0.000 0.217 208 P C 0.942 178.250 177.300 0.013 0.000 1.148 208 P CA 2.199 65.126 63.100 -0.288 0.000 0.834 208 P CB -0.101 31.468 31.700 -0.219 0.000 0.783 209 T N -5.677 108.845 114.554 -0.054 0.000 3.067 209 T HA 0.193 4.543 4.350 0.000 0.000 0.261 209 T C 1.696 176.419 174.700 0.039 0.000 1.110 209 T CA 0.749 62.825 62.100 -0.041 0.000 1.113 209 T CB -1.083 67.872 68.868 0.145 0.000 0.917 209 T HN 0.249 nan 8.240 nan 0.000 0.499 210 G N 1.278 110.106 108.800 0.047 0.000 2.189 210 G HA2 -0.236 3.724 3.960 0.000 0.000 0.267 210 G HA3 -0.236 3.724 3.960 0.000 0.000 0.267 210 G C 0.065 174.994 174.900 0.049 0.000 0.975 210 G CA 0.373 45.495 45.100 0.038 0.000 0.644 210 G HN 0.671 nan 8.290 nan 0.000 0.537 211 I N 1.071 121.691 120.570 0.083 0.000 2.499 211 I HA 0.407 4.577 4.170 0.000 0.000 0.296 211 I C 1.235 177.383 176.117 0.052 0.000 0.992 211 I CA -0.492 60.859 61.300 0.085 0.000 1.297 211 I CB 1.662 39.735 38.000 0.122 0.000 1.410 211 I HN 0.142 nan 8.210 nan 0.000 0.507 212 S N 2.788 118.518 115.700 0.050 0.000 2.575 212 S HA -0.026 4.444 4.470 0.000 0.000 0.295 212 S C 0.971 175.591 174.600 0.034 0.000 1.267 212 S CA -0.196 58.032 58.200 0.047 0.000 1.074 212 S CB 0.292 63.520 63.200 0.046 0.000 0.829 212 S HN 0.731 nan 8.310 nan 0.000 0.497 213 S N 2.928 118.644 115.700 0.026 0.000 2.582 213 S HA 0.181 4.651 4.470 0.000 0.000 0.234 213 S C 0.625 175.229 174.600 0.007 0.000 0.961 213 S CA -0.443 57.760 58.200 0.005 0.000 0.953 213 S CB 0.131 63.318 63.200 -0.022 0.000 0.800 213 S HN 0.725 nan 8.310 nan 0.000 0.471 214 D N 2.345 122.755 120.400 0.018 0.000 2.263 214 D HA -0.085 4.555 4.640 0.000 0.000 0.208 214 D C 2.036 178.340 176.300 0.006 0.000 0.971 214 D CA 1.310 55.318 54.000 0.014 0.000 0.867 214 D CB -0.084 40.728 40.800 0.020 0.000 0.929 214 D HN 0.584 nan 8.370 nan 0.000 0.492 215 V N -1.787 118.130 119.914 0.005 0.000 3.461 215 V HA 0.062 4.183 4.120 0.000 0.000 0.267 215 V C 0.315 176.403 176.094 -0.010 0.000 1.186 215 V CA 0.652 62.952 62.300 -0.000 0.000 1.154 215 V CB 0.062 31.887 31.823 0.002 0.000 0.802 215 V HN -0.177 nan 8.190 nan 0.000 0.474 216 D N 0.569 120.959 120.400 -0.016 0.000 2.968 216 D HA 0.256 4.896 4.640 0.000 0.000 0.301 216 D C -0.307 175.970 176.300 -0.038 0.000 1.226 216 D CA -0.259 53.722 54.000 -0.032 0.000 0.746 216 D CB 0.364 41.141 40.800 -0.039 0.000 1.278 216 D HN 0.180 nan 8.370 nan 0.000 0.544 217 K N 0.952 121.337 120.400 -0.025 0.000 2.110 217 K HA 0.579 4.899 4.320 0.000 0.000 0.263 217 K C 0.461 177.047 176.600 -0.024 0.000 0.975 217 K CA -0.650 55.629 56.287 -0.014 0.000 0.895 217 K CB 1.794 34.296 32.500 0.004 0.000 1.060 217 K HN 0.465 nan 8.250 nan 0.000 0.448 218 I N -1.221 119.342 120.570 -0.012 0.000 2.892 218 I HA 0.554 4.724 4.170 0.000 0.000 0.306 218 I C -2.553 173.614 176.117 0.085 0.000 1.078 218 I CA -2.849 58.433 61.300 -0.031 0.000 1.032 218 I CB 2.430 40.273 38.000 -0.262 0.000 1.229 218 I HN 0.263 nan 8.210 nan 0.000 0.435 219 P HA 0.021 nan 4.420 nan 0.000 0.271 219 P C 0.249 177.665 177.300 0.193 0.000 1.218 219 P CA 0.034 63.225 63.100 0.152 0.000 0.780 219 P CB 0.898 32.671 31.700 0.122 0.000 0.901 220 F N 2.126 122.104 119.950 0.047 0.000 2.161 220 F HA -0.151 4.376 4.527 0.000 0.000 0.300 220 F C 1.291 177.079 175.800 -0.020 0.000 1.089 220 F CA 1.515 59.543 58.000 0.046 0.000 1.282 220 F CB -0.366 38.508 39.000 -0.210 0.000 1.010 220 F HN 0.411 nan 8.300 nan 0.000 0.485 221 H N 0.978 120.019 119.070 -0.048 0.000 2.459 221 H HA 0.290 4.846 4.556 0.000 0.000 0.332 221 H C -1.860 173.354 175.328 -0.191 0.000 1.094 221 H CA -2.551 53.420 56.048 -0.128 0.000 1.224 221 H CB 1.553 31.295 29.762 -0.034 0.000 1.449 221 H HN -0.149 nan 8.280 nan 0.000 0.484 222 P HA -0.064 nan 4.420 nan 0.000 0.251 222 P C 0.486 177.337 177.300 -0.748 0.000 1.223 222 P CA 0.511 62.941 63.100 -1.116 0.000 0.796 222 P CB 0.341 31.419 31.700 -1.037 0.000 1.068 223 Y N -0.184 119.804 120.300 -0.521 0.000 2.097 223 Y HA -0.199 4.351 4.550 0.000 0.000 0.282 223 Y C 2.256 177.672 175.900 -0.806 0.000 1.152 223 Y CA 1.767 59.464 58.100 -0.670 0.000 1.136 223 Y CB -1.599 36.357 38.460 -0.841 0.000 0.975 223 Y HN -0.062 nan 8.280 nan 0.000 0.498 224 Y N -0.871 119.152 120.300 -0.462 0.000 2.503 224 Y HA -0.036 4.514 4.550 0.000 0.000 0.278 224 Y C 2.548 178.118 175.900 -0.550 0.000 1.111 224 Y CA 0.761 58.469 58.100 -0.653 0.000 1.270 224 Y CB -1.014 36.764 38.460 -1.137 0.000 1.063 224 Y HN 0.208 nan 8.280 nan 0.000 0.548 225 T N -1.453 112.889 114.554 -0.354 0.000 2.708 225 T HA -0.214 4.136 4.350 0.000 0.000 0.266 225 T C 1.931 176.659 174.700 0.046 0.000 1.037 225 T CA 1.459 63.614 62.100 0.092 0.000 1.146 225 T CB -0.665 68.420 68.868 0.362 0.000 0.865 225 T HN 0.201 nan 8.240 nan 0.000 0.435 226 I N 1.398 121.921 120.570 -0.077 0.000 2.353 226 I HA 0.122 4.292 4.170 0.000 0.000 0.248 226 I C 2.420 178.510 176.117 -0.045 0.000 1.119 226 I CA 1.111 62.373 61.300 -0.063 0.000 1.417 226 I CB -0.443 37.480 38.000 -0.128 0.000 1.078 226 I HN 0.145 nan 8.210 nan 0.000 0.421 227 K N 0.262 120.625 120.400 -0.062 0.000 2.097 227 K HA -0.182 4.138 4.320 0.000 0.000 0.205 227 K C 1.675 178.292 176.600 0.028 0.000 1.050 227 K CA 1.697 57.977 56.287 -0.011 0.000 0.938 227 K CB -0.080 32.440 32.500 0.033 0.000 0.718 227 K HN 0.283 nan 8.250 nan 0.000 0.442 228 D N 0.351 120.790 120.400 0.065 0.000 2.149 228 D HA -0.087 4.553 4.640 0.000 0.000 0.201 228 D C 1.787 178.121 176.300 0.058 0.000 0.972 228 D CA 0.907 54.965 54.000 0.097 0.000 0.835 228 D CB 0.009 40.936 40.800 0.212 0.000 0.966 228 D HN 0.236 nan 8.370 nan 0.000 0.476 229 I N 0.350 120.954 120.570 0.056 0.000 2.179 229 I HA -0.245 3.925 4.170 0.000 0.000 0.242 229 I C 2.279 178.399 176.117 0.005 0.000 1.088 229 I CA 0.542 61.863 61.300 0.035 0.000 1.357 229 I CB -0.097 37.925 38.000 0.036 0.000 1.051 229 I HN 0.036 nan 8.210 nan 0.000 0.409 230 L N 1.188 122.408 121.223 -0.006 0.000 2.017 230 L HA -0.103 4.237 4.340 0.000 0.000 0.208 230 L C 2.355 179.204 176.870 -0.034 0.000 1.073 230 L CA 2.303 57.131 54.840 -0.020 0.000 0.745 230 L CB -1.337 40.707 42.059 -0.026 0.000 0.894 230 L HN 0.196 nan 8.230 nan 0.000 0.432 231 G N -1.088 107.685 108.800 -0.046 0.000 2.440 231 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 231 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 231 G C 1.611 176.465 174.900 -0.076 0.000 1.154 231 G CA 0.931 45.977 45.100 -0.091 0.000 0.767 231 G HN 0.663 nan 8.290 nan 0.000 0.552 232 A N 0.457 123.250 122.820 -0.044 0.000 1.902 232 A HA 0.086 4.406 4.320 0.000 0.000 0.217 232 A C 2.435 180.003 177.584 -0.028 0.000 1.181 232 A CA 1.260 53.276 52.037 -0.035 0.000 0.623 232 A CB -0.403 18.589 19.000 -0.014 0.000 0.818 232 A HN 0.364 nan 8.150 nan 0.000 0.443 233 L N -0.852 120.359 121.223 -0.021 0.000 2.083 233 L HA -0.161 4.179 4.340 0.000 0.000 0.209 233 L C 2.479 179.343 176.870 -0.010 0.000 1.083 233 L CA 1.061 55.893 54.840 -0.013 0.000 0.752 233 L CB -0.391 41.662 42.059 -0.010 0.000 0.899 233 L HN 0.397 nan 8.230 nan 0.000 0.433 234 L N -1.045 120.166 121.223 -0.019 0.000 2.156 234 L HA -0.202 4.138 4.340 0.000 0.000 0.208 234 L C 2.421 179.291 176.870 0.001 0.000 1.095 234 L CA 0.407 55.241 54.840 -0.010 0.000 0.770 234 L CB -0.308 41.735 42.059 -0.026 0.000 0.914 234 L HN 0.241 nan 8.230 nan 0.000 0.439 235 L N 0.116 121.331 121.223 -0.013 0.000 2.056 235 L HA -0.164 4.176 4.340 0.000 0.000 0.207 235 L C 2.292 179.170 176.870 0.014 0.000 1.078 235 L CA 1.741 56.582 54.840 0.003 0.000 0.749 235 L CB -0.260 41.785 42.059 -0.025 0.000 0.901 235 L HN 0.083 nan 8.230 nan 0.000 0.433 236 I N -1.087 119.484 120.570 0.002 0.000 2.286 236 I HA -0.268 3.902 4.170 0.000 0.000 0.248 236 I C 2.350 178.481 176.117 0.023 0.000 1.115 236 I CA 1.075 62.379 61.300 0.005 0.000 1.392 236 I CB -0.379 37.617 38.000 -0.008 0.000 1.065 236 I HN 0.349 nan 8.210 nan 0.000 0.418 237 L N 1.353 122.592 121.223 0.028 0.000 1.989 237 L HA -0.180 4.160 4.340 0.000 0.000 0.211 237 L C 2.602 179.512 176.870 0.066 0.000 1.071 237 L CA 2.298 57.166 54.840 0.046 0.000 0.749 237 L CB -0.856 41.228 42.059 0.041 0.000 0.890 237 L HN 0.182 nan 8.230 nan 0.000 0.431 238 A N -0.568 122.290 122.820 0.064 0.000 1.908 238 A HA -0.226 4.094 4.320 0.000 0.000 0.218 238 A C 2.282 179.920 177.584 0.090 0.000 1.181 238 A CA 2.105 54.190 52.037 0.081 0.000 0.627 238 A CB -1.148 17.902 19.000 0.084 0.000 0.818 238 A HN 0.554 nan 8.150 nan 0.000 0.445 239 L N -1.129 120.141 121.223 0.078 0.000 2.017 239 L HA -0.144 4.196 4.340 0.000 0.000 0.208 239 L C 2.245 179.165 176.870 0.082 0.000 1.073 239 L CA 2.160 57.050 54.840 0.084 0.000 0.745 239 L CB -0.445 41.650 42.059 0.060 0.000 0.894 239 L HN 0.287 nan 8.230 nan 0.000 0.432 240 M N -1.017 118.618 119.600 0.059 0.000 2.296 240 M HA -0.087 4.393 4.480 0.000 0.000 0.265 240 M C 2.287 178.611 176.300 0.041 0.000 1.064 240 M CA 1.318 56.641 55.300 0.037 0.000 1.109 240 M CB -1.209 31.397 32.600 0.011 0.000 1.396 240 M HN 0.295 nan 8.290 nan 0.000 0.430 241 L N -0.664 120.626 121.223 0.111 0.000 2.056 241 L HA -0.204 4.136 4.340 0.000 0.000 0.207 241 L C 2.351 179.336 176.870 0.193 0.000 1.078 241 L CA 0.939 55.915 54.840 0.225 0.000 0.749 241 L CB -0.531 41.664 42.059 0.226 0.000 0.901 241 L HN 0.247 nan 8.230 nan 0.000 0.433 242 L N -1.196 120.112 121.223 0.141 0.000 1.988 242 L HA -0.195 4.145 4.340 0.000 0.000 0.207 242 L C 2.526 179.468 176.870 0.121 0.000 1.071 242 L CA 0.985 55.906 54.840 0.135 0.000 0.744 242 L CB -0.581 41.560 42.059 0.138 0.000 0.893 242 L HN 0.027 nan 8.230 nan 0.000 0.433 243 V N 0.194 120.180 119.914 0.120 0.000 2.332 243 V HA -0.293 3.827 4.120 0.000 0.000 0.248 243 V C 2.231 178.374 176.094 0.082 0.000 1.055 243 V CA 1.799 64.185 62.300 0.143 0.000 1.038 243 V CB -0.405 31.515 31.823 0.163 0.000 0.651 243 V HN 0.368 nan 8.190 nan 0.000 0.450 244 L N -2.429 118.765 121.223 -0.049 0.000 2.416 244 L HA 0.129 4.469 4.340 0.000 0.000 0.216 244 L C 1.903 178.546 176.870 -0.379 0.000 1.098 244 L CA 0.811 55.500 54.840 -0.251 0.000 0.840 244 L CB -0.137 41.628 42.059 -0.490 0.000 0.981 244 L HN 0.270 nan 8.230 nan 0.000 0.462 245 F N -0.490 119.485 119.950 0.042 0.000 2.752 245 F HA 0.390 4.917 4.527 0.000 0.000 0.310 245 F C 1.028 176.827 175.800 -0.003 0.000 1.097 245 F CA -0.246 57.761 58.000 0.012 0.000 1.238 245 F CB 0.361 39.371 39.000 0.017 0.000 1.061 245 F HN -0.132 nan 8.300 nan 0.000 0.591 246 A N 0.510 123.427 122.820 0.161 0.000 3.455 246 A HA 0.377 4.697 4.320 0.000 0.000 0.225 246 A C -1.899 175.724 177.584 0.065 0.000 1.052 246 A CA -0.520 51.573 52.037 0.093 0.000 1.005 246 A CB -0.372 18.687 19.000 0.098 0.000 1.318 246 A HN -0.064 nan 8.150 nan 0.000 0.639 247 P HA -0.140 nan 4.420 nan 0.000 0.221 247 P C 0.124 177.466 177.300 0.070 0.000 1.145 247 P CA 1.310 64.399 63.100 -0.019 0.000 0.795 247 P CB 0.330 31.827 31.700 -0.338 0.000 0.775 248 D N -1.439 118.999 120.400 0.062 0.000 2.398 248 D HA 0.052 4.692 4.640 0.000 0.000 0.210 248 D C 1.811 178.199 176.300 0.147 0.000 1.094 248 D CA -0.250 53.847 54.000 0.162 0.000 0.839 248 D CB -0.124 40.768 40.800 0.154 0.000 0.963 248 D HN 0.013 nan 8.370 nan 0.000 0.506 249 L N 0.799 122.085 121.223 0.105 0.000 1.997 249 L HA -0.179 4.161 4.340 0.000 0.000 0.216 249 L C 1.779 178.701 176.870 0.086 0.000 1.074 249 L CA 1.814 56.701 54.840 0.078 0.000 0.763 249 L CB -0.397 41.694 42.059 0.055 0.000 0.890 249 L HN 0.018 nan 8.230 nan 0.000 0.434 250 L N -0.932 120.363 121.223 0.121 0.000 2.591 250 L HA 0.224 4.564 4.340 0.000 0.000 0.228 250 L C 1.149 178.161 176.870 0.236 0.000 1.133 250 L CA 0.005 54.939 54.840 0.156 0.000 0.880 250 L CB -0.930 41.253 42.059 0.206 0.000 1.033 250 L HN 0.362 nan 8.230 nan 0.000 0.450 251 G N -1.212 107.718 108.800 0.216 0.000 2.552 251 G HA2 0.235 4.195 3.960 0.000 0.000 0.318 251 G HA3 0.235 4.195 3.960 0.000 0.000 0.318 251 G C -1.426 173.602 174.900 0.213 0.000 1.240 251 G CA -0.272 44.966 45.100 0.230 0.000 1.002 251 G HN -0.086 nan 8.290 nan 0.000 0.493 252 D N -0.430 120.114 120.400 0.241 0.000 2.344 252 D HA 0.348 4.988 4.640 0.000 0.000 0.239 252 D C -1.532 174.934 176.300 0.276 0.000 1.064 252 D CA -1.791 52.344 54.000 0.226 0.000 0.829 252 D CB 2.310 43.243 40.800 0.222 0.000 1.129 252 D HN -0.099 nan 8.370 nan 0.000 0.506 253 P HA -0.121 nan 4.420 nan 0.000 0.217 253 P C 0.664 178.159 177.300 0.325 0.000 1.148 253 P CA 0.810 64.108 63.100 0.330 0.000 0.834 253 P CB 0.406 32.224 31.700 0.197 0.000 0.783 254 D N -1.461 119.076 120.400 0.229 0.000 2.265 254 D HA -0.132 4.508 4.640 0.000 0.000 0.208 254 D C 1.467 177.874 176.300 0.178 0.000 0.977 254 D CA 0.926 55.040 54.000 0.190 0.000 0.871 254 D CB -0.751 40.144 40.800 0.158 0.000 0.925 254 D HN 0.128 nan 8.370 nan 0.000 0.485 255 N N -0.718 118.074 118.700 0.154 0.000 2.461 255 N HA -0.075 4.665 4.740 0.000 0.000 0.188 255 N C 0.430 175.973 175.510 0.055 0.000 1.134 255 N CA 0.169 53.244 53.050 0.041 0.000 0.878 255 N CB -0.097 38.337 38.487 -0.088 0.000 0.972 255 N HN 0.189 nan 8.380 nan 0.000 0.456 256 Y N -0.793 119.653 120.300 0.244 0.000 2.490 256 Y HA 0.228 4.778 4.550 0.000 0.000 0.281 256 Y C 0.246 176.372 175.900 0.377 0.000 1.174 256 Y CA 0.286 58.582 58.100 0.327 0.000 1.295 256 Y CB 0.354 38.948 38.460 0.224 0.000 1.062 256 Y HN -0.169 nan 8.280 nan 0.000 0.522 257 T N 2.471 117.213 114.554 0.313 0.000 2.770 257 T HA 0.295 4.645 4.350 0.000 0.000 0.283 257 T C -2.595 172.033 174.700 -0.119 0.000 0.988 257 T CA -1.837 60.309 62.100 0.076 0.000 0.957 257 T CB 1.499 70.405 68.868 0.063 0.000 0.930 257 T HN -0.212 nan 8.240 nan 0.000 0.443 258 P HA 0.139 nan 4.420 nan 0.000 0.267 258 P C -0.510 176.585 177.300 -0.342 0.000 1.201 258 P CA -0.329 62.386 63.100 -0.642 0.000 0.775 258 P CB 0.332 31.586 31.700 -0.743 0.000 0.854 259 A N 2.467 125.052 122.820 -0.392 0.000 2.546 259 A HA 0.112 4.432 4.320 0.000 0.000 0.243 259 A C 0.477 177.725 177.584 -0.560 0.000 1.063 259 A CA 0.437 52.115 52.037 -0.599 0.000 0.757 259 A CB -0.739 17.564 19.000 -1.162 0.000 0.991 259 A HN 0.551 nan 8.150 nan 0.000 0.503 260 N N 3.429 121.835 118.700 -0.491 0.000 2.573 260 N HA 0.320 5.060 4.740 0.000 0.000 0.262 260 N C -2.140 173.125 175.510 -0.410 0.000 1.029 260 N CA -2.140 50.702 53.050 -0.347 0.000 0.882 260 N CB 1.909 40.323 38.487 -0.122 0.000 1.204 260 N HN 0.279 nan 8.380 nan 0.000 0.519 261 P HA -0.022 nan 4.420 nan 0.000 0.234 261 P C 0.764 178.108 177.300 0.075 0.000 1.167 261 P CA 0.673 63.426 63.100 -0.579 0.000 0.763 261 P CB 0.559 31.908 31.700 -0.584 0.000 0.835 262 L N -1.560 119.689 121.223 0.042 0.000 2.640 262 L HA 0.270 4.610 4.340 0.000 0.000 0.230 262 L C 0.878 177.787 176.870 0.066 0.000 1.123 262 L CA 0.085 54.970 54.840 0.074 0.000 0.900 262 L CB -0.241 41.823 42.059 0.007 0.000 1.146 262 L HN 0.029 nan 8.230 nan 0.000 0.484 263 N N -0.078 118.695 118.700 0.122 0.000 2.503 263 N HA 0.141 4.881 4.740 0.000 0.000 0.287 263 N C -1.263 174.144 175.510 -0.173 0.000 1.096 263 N CA -0.128 52.900 53.050 -0.036 0.000 0.936 263 N CB 2.101 40.565 38.487 -0.037 0.000 1.570 263 N HN -0.258 nan 8.380 nan 0.000 0.504 264 T N 4.009 118.192 114.554 -0.619 0.000 2.733 264 T HA 0.361 4.711 4.350 0.000 0.000 0.294 264 T C -2.422 171.987 174.700 -0.484 0.000 0.956 264 T CA -0.852 60.600 62.100 -1.081 0.000 0.987 264 T CB 1.173 69.249 68.868 -1.320 0.000 0.920 264 T HN 0.376 nan 8.240 nan 0.000 0.470 265 P HA 0.006 nan 4.420 nan 0.000 0.264 265 P C -1.504 175.674 177.300 -0.202 0.000 1.173 265 P CA -0.983 62.028 63.100 -0.149 0.000 0.761 265 P CB 0.256 31.938 31.700 -0.030 0.000 0.794 266 P HA -0.146 nan 4.420 nan 0.000 0.220 266 P C 0.240 177.199 177.300 -0.569 0.000 1.148 266 P CA 1.738 64.591 63.100 -0.412 0.000 0.803 266 P CB 0.022 31.433 31.700 -0.481 0.000 0.782 267 H N -1.150 117.914 119.070 -0.009 0.000 2.469 267 H HA 0.319 4.875 4.556 0.000 0.000 0.286 267 H C 0.834 176.170 175.328 0.013 0.000 1.106 267 H CA -0.758 55.296 56.048 0.010 0.000 1.055 267 H CB -0.464 29.311 29.762 0.021 0.000 1.618 267 H HN 0.100 nan 8.280 nan 0.000 0.559 268 I N 2.936 123.522 120.570 0.027 0.000 2.919 268 I HA -0.108 4.062 4.170 0.000 0.000 0.303 268 I C -0.008 176.120 176.117 0.018 0.000 1.221 268 I CA 0.654 61.975 61.300 0.035 0.000 1.444 268 I CB 0.038 38.038 38.000 -0.001 0.000 1.331 268 I HN 0.387 nan 8.210 nan 0.000 0.572 269 K N 6.548 126.937 120.400 -0.018 0.000 2.551 269 K HA 0.677 4.997 4.320 0.000 0.000 0.269 269 K C -3.027 173.454 176.600 -0.198 0.000 0.949 269 K CA -1.616 54.564 56.287 -0.178 0.000 0.849 269 K CB 1.412 33.847 32.500 -0.109 0.000 1.411 269 K HN 0.190 nan 8.250 nan 0.000 0.432 270 P HA 0.113 nan 4.420 nan 0.000 0.273 270 P C -0.984 176.156 177.300 -0.266 0.000 1.250 270 P CA -0.413 62.530 63.100 -0.261 0.000 0.793 270 P CB 0.327 31.825 31.700 -0.337 0.000 1.011 271 E N 0.410 120.354 120.200 -0.426 0.000 2.437 271 E HA -0.077 4.273 4.350 0.000 0.000 0.263 271 E C 1.152 177.264 176.600 -0.814 0.000 1.030 271 E CA 0.087 55.979 56.400 -0.847 0.000 0.934 271 E CB -0.076 28.655 29.700 -1.615 0.000 0.943 271 E HN 0.559 nan 8.360 nan 0.000 0.444 272 W N 3.533 124.457 121.300 -0.627 0.000 2.325 272 W HA -0.308 4.352 4.660 0.000 0.000 0.299 272 W C 0.913 177.294 176.519 -0.230 0.000 1.215 272 W CA 1.129 58.283 57.345 -0.318 0.000 1.244 272 W CB -0.856 28.517 29.460 -0.144 0.000 1.140 272 W HN 0.726 nan 8.180 nan 0.000 0.523 273 Y N -2.319 117.204 120.300 -1.295 0.000 2.632 273 Y HA 0.136 4.686 4.550 0.000 0.000 0.301 273 Y C 1.387 177.091 175.900 -0.326 0.000 1.172 273 Y CA -0.124 57.313 58.100 -1.104 0.000 1.328 273 Y CB -1.733 35.530 38.460 -1.995 0.000 1.016 273 Y HN -0.211 nan 8.280 nan 0.000 0.529 274 F N -0.314 119.430 119.950 -0.343 0.000 2.678 274 F HA 0.282 4.809 4.527 0.000 0.000 0.305 274 F C 1.625 177.291 175.800 -0.223 0.000 1.090 274 F CA -1.072 56.776 58.000 -0.253 0.000 1.272 274 F CB -0.474 38.340 39.000 -0.310 0.000 1.060 274 F HN 0.107 nan 8.300 nan 0.000 0.576 275 L N -0.279 120.996 121.223 0.086 0.000 2.079 275 L HA -0.268 4.072 4.340 0.000 0.000 0.210 275 L C 2.652 179.606 176.870 0.140 0.000 1.081 275 L CA 1.720 56.636 54.840 0.127 0.000 0.752 275 L CB -0.863 41.295 42.059 0.166 0.000 0.896 275 L HN 0.220 nan 8.230 nan 0.000 0.433 276 F N -0.012 119.974 119.950 0.061 0.000 2.146 276 F HA -0.066 4.461 4.527 0.000 0.000 0.298 276 F C 2.458 178.213 175.800 -0.075 0.000 1.096 276 F CA 0.840 58.819 58.000 -0.036 0.000 1.275 276 F CB -1.175 37.751 39.000 -0.125 0.000 1.008 276 F HN -0.081 nan 8.300 nan 0.000 0.480 277 A N -0.094 121.858 122.820 -1.446 0.000 1.930 277 A HA -0.172 4.148 4.320 0.000 0.000 0.217 277 A C 2.220 179.585 177.584 -0.365 0.000 1.175 277 A CA 1.462 52.911 52.037 -0.980 0.000 0.627 277 A CB -1.710 16.676 19.000 -1.024 0.000 0.815 277 A HN 0.664 nan 8.150 nan 0.000 0.443 278 Y N 0.749 120.829 120.300 -0.367 0.000 2.181 278 Y HA -0.078 4.472 4.550 0.000 0.000 0.288 278 Y C 2.553 178.364 175.900 -0.149 0.000 1.146 278 Y CA 1.137 59.113 58.100 -0.206 0.000 1.164 278 Y CB -0.533 37.843 38.460 -0.140 0.000 0.982 278 Y HN 0.300 nan 8.280 nan 0.000 0.515 279 A N 0.639 123.382 122.820 -0.128 0.000 1.902 279 A HA -0.173 4.147 4.320 0.000 0.000 0.217 279 A C 2.334 179.805 177.584 -0.188 0.000 1.181 279 A CA 2.009 53.931 52.037 -0.192 0.000 0.623 279 A CB -1.117 17.844 19.000 -0.064 0.000 0.818 279 A HN 0.584 nan 8.150 nan 0.000 0.443 280 I N -0.809 119.671 120.570 -0.150 0.000 2.179 280 I HA -0.245 3.926 4.170 0.000 0.000 0.242 280 I C 2.544 178.612 176.117 -0.081 0.000 1.088 280 I CA 1.555 62.806 61.300 -0.081 0.000 1.357 280 I CB -0.320 37.636 38.000 -0.072 0.000 1.051 280 I HN 0.448 nan 8.210 nan 0.000 0.409 281 L N 0.729 121.873 121.223 -0.133 0.000 2.017 281 L HA -0.224 4.116 4.340 0.000 0.000 0.208 281 L C 2.740 179.513 176.870 -0.162 0.000 1.073 281 L CA 1.611 56.378 54.840 -0.121 0.000 0.745 281 L CB -0.326 41.658 42.059 -0.124 0.000 0.894 281 L HN 0.080 nan 8.230 nan 0.000 0.432 282 R N -0.911 119.418 120.500 -0.285 0.000 2.241 282 R HA -0.101 4.239 4.340 0.000 0.000 0.224 282 R C 2.101 178.295 176.300 -0.176 0.000 1.101 282 R CA 1.195 57.114 56.100 -0.301 0.000 0.995 282 R CB -0.060 29.914 30.300 -0.544 0.000 0.870 282 R HN 0.393 nan 8.270 nan 0.000 0.463 283 S N 0.035 115.658 115.700 -0.130 0.000 2.522 283 S HA 0.075 4.545 4.470 0.000 0.000 0.227 283 S C 0.573 175.148 174.600 -0.041 0.000 0.986 283 S CA 0.464 58.623 58.200 -0.067 0.000 0.929 283 S CB 0.172 63.354 63.200 -0.029 0.000 0.769 283 S HN 0.169 nan 8.310 nan 0.000 0.529 284 I N 3.173 123.715 120.570 -0.048 0.000 2.328 284 I HA 0.231 4.401 4.170 0.000 0.000 0.287 284 I C -2.013 174.079 176.117 -0.041 0.000 1.012 284 I CA -2.136 59.143 61.300 -0.035 0.000 1.195 284 I CB 1.634 39.616 38.000 -0.029 0.000 1.350 284 I HN -0.128 nan 8.210 nan 0.000 0.464 285 P HA 0.006 nan 4.420 nan 0.000 0.269 285 P C -0.674 176.608 177.300 -0.030 0.000 1.601 285 P CA 0.338 63.420 63.100 -0.031 0.000 0.831 285 P CB -0.072 31.614 31.700 -0.024 0.000 1.688 286 N N 0.782 119.462 118.700 -0.033 0.000 2.336 286 N HA 0.087 4.827 4.740 0.000 0.000 0.290 286 N C 0.589 176.077 175.510 -0.036 0.000 1.058 286 N CA -0.391 52.639 53.050 -0.033 0.000 0.865 286 N CB 2.419 40.885 38.487 -0.035 0.000 1.581 286 N HN -0.208 nan 8.380 nan 0.000 0.480 287 K N 2.510 122.890 120.400 -0.034 0.000 1.985 287 K HA -0.114 4.206 4.320 0.000 0.000 0.210 287 K C 1.743 178.321 176.600 -0.037 0.000 1.047 287 K CA 1.175 57.443 56.287 -0.032 0.000 0.932 287 K CB -0.134 32.349 32.500 -0.028 0.000 0.716 287 K HN 0.440 nan 8.250 nan 0.000 0.439 288 L N 1.158 122.356 121.223 -0.042 0.000 2.083 288 L HA -0.018 4.322 4.340 0.000 0.000 0.209 288 L C 2.143 178.986 176.870 -0.045 0.000 1.083 288 L CA 2.250 57.063 54.840 -0.045 0.000 0.752 288 L CB -1.015 41.013 42.059 -0.052 0.000 0.899 288 L HN 0.392 nan 8.230 nan 0.000 0.433 289 G N -1.155 107.617 108.800 -0.046 0.000 2.418 289 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 289 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 289 G C 1.507 176.384 174.900 -0.039 0.000 1.158 289 G CA 0.573 45.644 45.100 -0.048 0.000 0.771 289 G HN 0.579 nan 8.290 nan 0.000 0.545 290 G N 0.327 109.105 108.800 -0.037 0.000 2.402 290 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 290 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 290 G C 1.760 176.644 174.900 -0.027 0.000 1.162 290 G CA 1.158 46.237 45.100 -0.035 0.000 0.777 290 G HN 0.311 nan 8.290 nan 0.000 0.539 291 V N 0.917 120.813 119.914 -0.030 0.000 2.427 291 V HA -0.080 4.040 4.120 0.000 0.000 0.248 291 V C 2.871 178.960 176.094 -0.007 0.000 1.051 291 V CA 1.198 63.482 62.300 -0.027 0.000 1.048 291 V CB -0.352 31.453 31.823 -0.031 0.000 0.666 291 V HN 0.321 nan 8.190 nan 0.000 0.456 292 L N -0.014 121.201 121.223 -0.013 0.000 2.093 292 L HA -0.105 4.235 4.340 0.000 0.000 0.208 292 L C 2.701 179.602 176.870 0.052 0.000 1.085 292 L CA 1.458 56.294 54.840 -0.007 0.000 0.755 292 L CB -0.712 41.312 42.059 -0.058 0.000 0.904 292 L HN 0.362 nan 8.230 nan 0.000 0.435 293 A N -0.039 122.809 122.820 0.047 0.000 1.930 293 A HA -0.190 4.130 4.320 0.000 0.000 0.217 293 A C 2.172 179.899 177.584 0.238 0.000 1.175 293 A CA 1.319 53.441 52.037 0.140 0.000 0.627 293 A CB -0.548 18.505 19.000 0.090 0.000 0.815 293 A HN 0.315 nan 8.150 nan 0.000 0.443 294 L N 0.054 121.337 121.223 0.100 0.000 1.970 294 L HA -0.098 4.242 4.340 0.000 0.000 0.212 294 L C 2.648 179.567 176.870 0.083 0.000 1.071 294 L CA 2.486 57.347 54.840 0.034 0.000 0.751 294 L CB -0.968 41.062 42.059 -0.050 0.000 0.889 294 L HN 0.325 nan 8.230 nan 0.000 0.432 295 A N -0.971 121.905 122.820 0.094 0.000 1.883 295 A HA -0.289 4.031 4.320 0.000 0.000 0.217 295 A C 2.280 180.015 177.584 0.252 0.000 1.186 295 A CA 2.075 54.184 52.037 0.122 0.000 0.624 295 A CB -1.310 17.747 19.000 0.094 0.000 0.822 295 A HN 0.558 nan 8.150 nan 0.000 0.444 296 F N 1.885 121.914 119.950 0.132 0.000 2.293 296 F HA -0.122 4.405 4.527 0.000 0.000 0.300 296 F C 2.702 178.749 175.800 0.411 0.000 1.086 296 F CA 1.238 59.373 58.000 0.225 0.000 1.375 296 F CB -0.415 38.680 39.000 0.158 0.000 1.045 296 F HN 0.346 nan 8.300 nan 0.000 0.516 297 S N -0.323 115.628 115.700 0.417 0.000 2.419 297 S HA -0.134 4.336 4.470 0.000 0.000 0.233 297 S C 1.881 176.603 174.600 0.203 0.000 1.016 297 S CA 1.301 59.667 58.200 0.277 0.000 0.974 297 S CB -0.557 62.692 63.200 0.083 0.000 0.786 297 S HN 0.279 nan 8.310 nan 0.000 0.492 298 I N 1.072 121.741 120.570 0.164 0.000 2.729 298 I HA 0.234 4.404 4.170 0.000 0.000 0.256 298 I C 2.239 178.409 176.117 0.087 0.000 1.115 298 I CA 0.400 61.785 61.300 0.141 0.000 1.446 298 I CB -1.360 36.715 38.000 0.125 0.000 1.176 298 I HN 0.287 nan 8.210 nan 0.000 0.446 299 L N 0.718 122.006 121.223 0.108 0.000 2.353 299 L HA -0.104 4.236 4.340 0.000 0.000 0.220 299 L C 2.483 179.389 176.870 0.060 0.000 1.133 299 L CA 0.857 55.768 54.840 0.119 0.000 0.798 299 L CB -0.276 41.914 42.059 0.218 0.000 0.922 299 L HN 0.189 nan 8.230 nan 0.000 0.445 300 I N -0.076 120.412 120.570 -0.137 0.000 2.454 300 I HA -0.292 3.878 4.170 0.000 0.000 0.254 300 I C 2.251 178.330 176.117 -0.063 0.000 1.156 300 I CA 0.979 62.097 61.300 -0.303 0.000 1.433 300 I CB 0.145 37.790 38.000 -0.592 0.000 1.082 300 I HN 0.246 nan 8.210 nan 0.000 0.432 301 L N 0.608 121.846 121.223 0.026 0.000 2.079 301 L HA -0.230 4.110 4.340 0.000 0.000 0.210 301 L C 2.671 179.742 176.870 0.334 0.000 1.081 301 L CA 1.351 56.297 54.840 0.177 0.000 0.752 301 L CB -0.815 41.289 42.059 0.076 0.000 0.896 301 L HN 0.309 nan 8.230 nan 0.000 0.433 302 A N -0.564 122.376 122.820 0.200 0.000 2.121 302 A HA -0.065 4.256 4.320 0.000 0.000 0.218 302 A C 2.152 179.844 177.584 0.181 0.000 1.154 302 A CA 1.023 53.201 52.037 0.235 0.000 0.679 302 A CB -0.361 18.726 19.000 0.144 0.000 0.795 302 A HN 0.417 nan 8.150 nan 0.000 0.458 303 L N -0.435 120.854 121.223 0.110 0.000 2.477 303 L HA 0.017 4.357 4.340 0.000 0.000 0.220 303 L C 1.839 178.671 176.870 -0.063 0.000 1.106 303 L CA -0.149 54.720 54.840 0.047 0.000 0.851 303 L CB -0.189 41.913 42.059 0.071 0.000 0.994 303 L HN 0.250 nan 8.230 nan 0.000 0.462 304 I N 1.041 121.529 120.570 -0.137 0.000 2.151 304 I HA -0.212 3.958 4.170 0.000 0.000 0.243 304 I C -0.068 175.701 176.117 -0.580 0.000 1.080 304 I CA 1.933 62.977 61.300 -0.427 0.000 1.339 304 I CB -2.418 35.198 38.000 -0.640 0.000 1.039 304 I HN 0.167 nan 8.210 nan 0.000 0.409 305 P HA -0.136 nan 4.420 nan 0.000 0.216 305 P C 2.138 179.383 177.300 -0.091 0.000 1.150 305 P CA 1.312 64.254 63.100 -0.264 0.000 0.843 305 P CB -0.049 31.582 31.700 -0.116 0.000 0.787 306 L N -2.026 119.154 121.223 -0.071 0.000 2.395 306 L HA -0.021 4.319 4.340 0.000 0.000 0.218 306 L C 1.838 178.696 176.870 -0.020 0.000 1.130 306 L CA 0.724 55.552 54.840 -0.019 0.000 0.826 306 L CB -0.520 41.541 42.059 0.003 0.000 0.941 306 L HN -0.035 nan 8.230 nan 0.000 0.451 307 L N -1.585 119.602 121.223 -0.061 0.000 2.628 307 L HA 0.077 4.417 4.340 0.000 0.000 0.229 307 L C 0.513 177.353 176.870 -0.049 0.000 1.137 307 L CA -0.267 54.537 54.840 -0.061 0.000 0.909 307 L CB -0.355 41.647 42.059 -0.095 0.000 1.137 307 L HN 0.147 nan 8.230 nan 0.000 0.470 308 H N 0.275 119.284 119.070 -0.101 0.000 2.944 308 H HA 0.051 4.607 4.556 0.000 0.000 0.278 308 H C 1.260 176.560 175.328 -0.047 0.000 1.083 308 H CA 0.319 56.338 56.048 -0.048 0.000 1.479 308 H CB 0.830 30.619 29.762 0.046 0.000 1.486 308 H HN 0.134 nan 8.280 nan 0.000 0.493 309 T N 0.224 114.599 114.554 -0.298 0.000 2.990 309 T HA 0.087 4.437 4.350 0.000 0.000 0.250 309 T C 1.000 175.555 174.700 -0.242 0.000 1.041 309 T CA -0.079 61.909 62.100 -0.186 0.000 1.010 309 T CB 0.096 68.884 68.868 -0.133 0.000 1.003 309 T HN 0.418 nan 8.240 nan 0.000 0.499 310 S N 1.123 116.528 115.700 -0.492 0.000 2.572 310 S HA 0.211 4.681 4.470 0.000 0.000 0.279 310 S C 1.157 175.679 174.600 -0.129 0.000 1.341 310 S CA -0.665 57.358 58.200 -0.294 0.000 1.043 310 S CB 0.495 63.505 63.200 -0.318 0.000 0.887 310 S HN 0.202 nan 8.310 nan 0.000 0.516 311 K N 2.542 122.837 120.400 -0.175 0.000 2.486 311 K HA 0.113 4.433 4.320 0.000 0.000 0.194 311 K C 0.306 176.803 176.600 -0.173 0.000 1.033 311 K CA 0.673 56.729 56.287 -0.385 0.000 1.004 311 K CB -0.109 31.686 32.500 -1.175 0.000 0.798 311 K HN 0.649 nan 8.250 nan 0.000 0.495 312 Q N -0.037 119.793 119.800 0.049 0.000 2.306 312 Q HA 0.312 4.653 4.340 0.000 0.000 0.265 312 Q C 0.881 176.967 176.000 0.144 0.000 1.022 312 Q CA -0.424 55.461 55.803 0.136 0.000 0.853 312 Q CB 2.413 31.297 28.738 0.243 0.000 1.327 312 Q HN -0.054 nan 8.270 nan 0.000 0.449 313 R N 0.721 121.257 120.500 0.061 0.000 2.062 313 R HA 0.034 4.375 4.340 0.000 0.000 0.226 313 R C 0.774 177.031 176.300 -0.072 0.000 1.125 313 R CA 0.794 56.859 56.100 -0.058 0.000 0.966 313 R CB 0.215 30.419 30.300 -0.159 0.000 0.861 313 R HN 0.526 nan 8.270 nan 0.000 0.433 314 S N -0.764 114.902 115.700 -0.056 0.000 2.646 314 S HA 0.185 4.655 4.470 0.000 0.000 0.276 314 S C 0.845 175.283 174.600 -0.270 0.000 1.222 314 S CA -0.658 57.463 58.200 -0.132 0.000 1.014 314 S CB 1.280 64.476 63.200 -0.006 0.000 0.991 314 S HN 0.302 nan 8.310 nan 0.000 0.533 315 M N 3.181 122.427 119.600 -0.591 0.000 2.556 315 M HA 0.078 4.558 4.480 0.000 0.000 0.245 315 M C 1.871 177.828 176.300 -0.572 0.000 1.128 315 M CA 0.194 55.052 55.300 -0.736 0.000 1.069 315 M CB -0.203 31.564 32.600 -1.389 0.000 1.469 315 M HN 0.850 nan 8.290 nan 0.000 0.494 316 M N 0.421 119.750 119.600 -0.451 0.000 2.089 316 M HA -0.244 4.236 4.480 0.000 0.000 0.257 316 M C 0.445 176.553 176.300 -0.320 0.000 1.071 316 M CA 2.109 57.199 55.300 -0.350 0.000 1.096 316 M CB 0.004 32.256 32.600 -0.580 0.000 1.330 316 M HN 0.171 nan 8.290 nan 0.000 0.403 317 F N 0.294 120.251 119.950 0.012 0.000 2.645 317 F HA 0.302 4.829 4.527 0.000 0.000 0.300 317 F C 0.111 175.910 175.800 -0.002 0.000 1.115 317 F CA 0.048 58.061 58.000 0.022 0.000 1.355 317 F CB -0.124 38.900 39.000 0.040 0.000 1.026 317 F HN 0.019 nan 8.300 nan 0.000 0.536 318 R N 0.309 120.843 120.500 0.056 0.000 2.494 318 R HA 0.241 4.581 4.340 0.000 0.000 0.284 318 R C -2.040 174.251 176.300 -0.014 0.000 1.525 318 R CA -1.432 54.674 56.100 0.011 0.000 1.460 318 R CB 0.583 30.848 30.300 -0.058 0.000 1.134 318 R HN -0.057 nan 8.270 nan 0.000 0.592 319 P HA -0.246 nan 4.420 nan 0.000 0.216 319 P C 0.984 178.314 177.300 0.051 0.000 1.157 319 P CA 1.373 64.509 63.100 0.060 0.000 0.880 319 P CB 0.244 31.985 31.700 0.068 0.000 0.791 320 L N -1.266 119.974 121.223 0.030 0.000 2.017 320 L HA -0.147 4.193 4.340 0.000 0.000 0.208 320 L C 2.400 179.276 176.870 0.009 0.000 1.073 320 L CA 1.735 56.590 54.840 0.025 0.000 0.745 320 L CB -1.329 40.738 42.059 0.013 0.000 0.894 320 L HN 0.007 nan 8.230 nan 0.000 0.432 321 S N -0.415 115.263 115.700 -0.036 0.000 2.382 321 S HA -0.222 4.248 4.470 0.000 0.000 0.228 321 S C 1.953 176.511 174.600 -0.069 0.000 1.027 321 S CA 1.262 59.413 58.200 -0.082 0.000 0.991 321 S CB -0.228 62.872 63.200 -0.166 0.000 0.823 321 S HN 0.452 nan 8.310 nan 0.000 0.469 322 Q N 0.013 119.776 119.800 -0.060 0.000 2.084 322 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 322 Q C 2.491 178.644 176.000 0.256 0.000 0.978 322 Q CA 1.546 57.382 55.803 0.054 0.000 0.844 322 Q CB -0.496 28.358 28.738 0.192 0.000 0.898 322 Q HN 0.555 nan 8.270 nan 0.000 0.426 323 C N 0.490 119.916 119.300 0.211 0.000 2.429 323 C HA -0.127 4.333 4.460 0.000 0.000 0.277 323 C C 2.557 177.656 174.990 0.182 0.000 1.262 323 C CA 0.581 59.737 59.018 0.230 0.000 1.733 323 C CB -1.009 26.815 27.740 0.139 0.000 2.010 323 C HN 0.475 nan 8.230 nan 0.000 0.483 324 L N -0.385 120.897 121.223 0.098 0.000 2.093 324 L HA -0.120 4.220 4.340 0.000 0.000 0.208 324 L C 2.420 179.301 176.870 0.017 0.000 1.085 324 L CA 1.465 56.331 54.840 0.043 0.000 0.755 324 L CB -0.745 41.315 42.059 0.000 0.000 0.904 324 L HN 0.319 nan 8.230 nan 0.000 0.435 325 F N 0.035 119.891 119.950 -0.158 0.000 2.095 325 F HA -0.246 4.281 4.527 0.000 0.000 0.298 325 F C 2.022 177.649 175.800 -0.287 0.000 1.104 325 F CA 1.572 59.392 58.000 -0.301 0.000 1.232 325 F CB -0.391 38.331 39.000 -0.465 0.000 0.987 325 F HN -0.027 nan 8.300 nan 0.000 0.475 326 W N 0.056 121.457 121.300 0.169 0.000 2.425 326 W HA -0.004 4.656 4.660 0.000 0.000 0.277 326 W C 2.509 178.995 176.519 -0.054 0.000 1.231 326 W CA 0.887 58.257 57.345 0.041 0.000 1.248 326 W CB -0.625 28.918 29.460 0.139 0.000 1.117 326 W HN 0.100 nan 8.180 nan 0.000 0.568 327 A N 0.085 122.988 122.820 0.138 0.000 1.930 327 A HA -0.160 4.160 4.320 0.000 0.000 0.217 327 A C 1.871 179.446 177.584 -0.015 0.000 1.175 327 A CA 1.393 53.472 52.037 0.069 0.000 0.627 327 A CB -0.854 18.177 19.000 0.053 0.000 0.815 327 A HN 0.266 nan 8.150 nan 0.000 0.443 328 L N -0.040 121.107 121.223 -0.127 0.000 2.046 328 L HA -0.098 4.242 4.340 0.000 0.000 0.208 328 L C 2.331 179.075 176.870 -0.211 0.000 1.077 328 L CA 1.921 56.638 54.840 -0.206 0.000 0.747 328 L CB -0.568 41.273 42.059 -0.364 0.000 0.896 328 L HN 0.135 nan 8.230 nan 0.000 0.432 329 V N 0.121 119.857 119.914 -0.297 0.000 2.343 329 V HA -0.262 3.858 4.120 0.000 0.000 0.247 329 V C 2.786 178.866 176.094 -0.023 0.000 1.051 329 V CA 1.592 63.777 62.300 -0.192 0.000 1.036 329 V CB -1.257 30.508 31.823 -0.096 0.000 0.654 329 V HN 0.616 nan 8.190 nan 0.000 0.451 330 A N -0.283 122.561 122.820 0.039 0.000 1.969 330 A HA -0.255 4.065 4.320 0.000 0.000 0.218 330 A C 2.009 179.626 177.584 0.054 0.000 1.169 330 A CA 1.966 54.039 52.037 0.061 0.000 0.635 330 A CB -0.558 18.488 19.000 0.077 0.000 0.810 330 A HN 0.580 nan 8.150 nan 0.000 0.445 331 D N -0.313 120.110 120.400 0.038 0.000 2.149 331 D HA -0.062 4.578 4.640 0.000 0.000 0.201 331 D C 1.797 178.133 176.300 0.059 0.000 0.972 331 D CA 0.880 54.918 54.000 0.064 0.000 0.835 331 D CB -0.145 40.695 40.800 0.066 0.000 0.966 331 D HN 0.403 nan 8.370 nan 0.000 0.476 332 L N -0.129 121.094 121.223 0.001 0.000 2.141 332 L HA -0.103 4.237 4.340 0.000 0.000 0.209 332 L C 2.247 179.131 176.870 0.023 0.000 1.094 332 L CA 0.349 55.153 54.840 -0.061 0.000 0.763 332 L CB -0.300 41.623 42.059 -0.226 0.000 0.908 332 L HN 0.199 nan 8.230 nan 0.000 0.437 333 L N -0.685 120.568 121.223 0.050 0.000 2.056 333 L HA -0.165 4.175 4.340 0.000 0.000 0.207 333 L C 2.424 179.404 176.870 0.184 0.000 1.078 333 L CA 2.031 56.932 54.840 0.103 0.000 0.749 333 L CB -0.748 41.356 42.059 0.075 0.000 0.901 333 L HN 0.128 nan 8.230 nan 0.000 0.433 334 T N -0.070 114.597 114.554 0.189 0.000 2.708 334 T HA -0.183 4.167 4.350 0.000 0.000 0.266 334 T C 1.979 176.858 174.700 0.298 0.000 1.037 334 T CA 1.919 64.213 62.100 0.324 0.000 1.146 334 T CB -0.379 68.644 68.868 0.259 0.000 0.865 334 T HN 0.293 nan 8.240 nan 0.000 0.435 335 L N 0.639 121.965 121.223 0.172 0.000 2.083 335 L HA -0.123 4.217 4.340 0.000 0.000 0.209 335 L C 2.921 179.882 176.870 0.152 0.000 1.083 335 L CA 1.172 56.083 54.840 0.118 0.000 0.752 335 L CB -0.959 41.156 42.059 0.092 0.000 0.899 335 L HN 0.291 nan 8.230 nan 0.000 0.433 336 T N -1.326 113.356 114.554 0.214 0.000 2.746 336 T HA -0.240 4.110 4.350 0.000 0.000 0.267 336 T C 1.312 176.150 174.700 0.231 0.000 1.039 336 T CA 1.567 63.814 62.100 0.245 0.000 1.142 336 T CB -0.346 68.681 68.868 0.266 0.000 0.866 336 T HN 0.551 nan 8.240 nan 0.000 0.444 337 W N 2.067 123.398 121.300 0.051 0.000 2.378 337 W HA -0.050 4.610 4.660 0.000 0.000 0.313 337 W C 1.614 178.104 176.519 -0.048 0.000 1.197 337 W CA 0.424 57.770 57.345 0.001 0.000 1.304 337 W CB -0.665 28.791 29.460 -0.008 0.000 1.148 337 W HN 0.030 nan 8.180 nan 0.000 0.494 338 I N 1.701 122.018 120.570 -0.423 0.000 2.208 338 I HA -0.211 3.959 4.170 0.000 0.000 0.245 338 I C 2.573 178.483 176.117 -0.344 0.000 1.097 338 I CA 1.951 62.850 61.300 -0.669 0.000 1.363 338 I CB -2.084 35.691 38.000 -0.374 0.000 1.051 338 I HN 0.272 nan 8.210 nan 0.000 0.413 339 G N 0.273 109.022 108.800 -0.086 0.000 2.479 339 G HA2 -0.184 3.776 3.960 0.000 0.000 0.220 339 G HA3 -0.184 3.776 3.960 0.000 0.000 0.220 339 G C 1.569 176.546 174.900 0.129 0.000 1.115 339 G CA 0.847 46.028 45.100 0.135 0.000 0.757 339 G HN 0.527 nan 8.290 nan 0.000 0.560 340 G N -1.182 107.602 108.800 -0.026 0.000 3.042 340 G HA2 0.291 4.251 3.960 0.000 0.000 0.212 340 G HA3 0.291 4.251 3.960 0.000 0.000 0.212 340 G C 0.612 175.444 174.900 -0.114 0.000 1.166 340 G CA -0.147 44.938 45.100 -0.024 0.000 0.767 340 G HN 0.303 nan 8.290 nan 0.000 0.546 341 Q N 0.556 120.191 119.800 -0.276 0.000 2.248 341 Q HA 0.379 4.719 4.340 0.000 0.000 0.263 341 Q C -2.473 173.435 176.000 -0.153 0.000 1.007 341 Q CA -2.202 53.367 55.803 -0.390 0.000 0.877 341 Q CB 1.839 29.906 28.738 -1.119 0.000 1.315 341 Q HN 0.060 nan 8.270 nan 0.000 0.454 342 P HA 0.074 nan 4.420 nan 0.000 0.272 342 P C -0.268 177.091 177.300 0.099 0.000 1.223 342 P CA -0.254 62.901 63.100 0.091 0.000 0.784 342 P CB 0.578 32.370 31.700 0.153 0.000 0.923 343 V N 2.710 122.663 119.914 0.065 0.000 2.242 343 V HA 0.105 4.225 4.120 0.000 0.000 0.242 343 V C 0.703 176.838 176.094 0.068 0.000 1.240 343 V CA 0.774 63.098 62.300 0.040 0.000 1.211 343 V CB -1.738 30.084 31.823 -0.001 0.000 1.338 343 V HN 0.554 nan 8.190 nan 0.000 0.499 344 E N 0.965 121.231 120.200 0.109 0.000 2.430 344 E HA 0.338 4.688 4.350 0.000 0.000 0.279 344 E C -0.767 175.852 176.600 0.030 0.000 1.003 344 E CA -0.956 55.494 56.400 0.083 0.000 0.801 344 E CB 1.905 31.662 29.700 0.094 0.000 1.313 344 E HN 0.648 nan 8.360 nan 0.000 0.459 345 H N 3.261 122.287 119.070 -0.074 0.000 2.815 345 H HA 0.093 4.649 4.556 0.000 0.000 0.350 345 H C -1.833 173.310 175.328 -0.307 0.000 1.080 345 H CA -0.880 55.090 56.048 -0.130 0.000 1.433 345 H CB 1.148 30.860 29.762 -0.084 0.000 1.432 345 H HN 0.306 nan 8.280 nan 0.000 0.592 346 P HA -0.006 nan 4.420 nan 0.000 0.268 346 P C 0.512 177.610 177.300 -0.337 0.000 1.329 346 P CA 0.075 62.652 63.100 -0.873 0.000 0.899 346 P CB 0.029 31.191 31.700 -0.897 0.000 1.378 347 Y N 0.680 120.859 120.300 -0.202 0.000 2.207 347 Y HA -0.142 4.408 4.550 0.000 0.000 0.287 347 Y C 2.467 178.271 175.900 -0.161 0.000 1.156 347 Y CA 0.423 58.389 58.100 -0.224 0.000 1.182 347 Y CB -1.516 36.784 38.460 -0.267 0.000 0.979 347 Y HN -0.088 nan 8.280 nan 0.000 0.521 348 I N -0.767 119.829 120.570 0.042 0.000 2.163 348 I HA -0.331 3.839 4.170 0.000 0.000 0.243 348 I C 2.134 178.259 176.117 0.014 0.000 1.085 348 I CA 1.938 63.248 61.300 0.016 0.000 1.347 348 I CB -0.658 37.356 38.000 0.024 0.000 1.044 348 I HN 0.180 nan 8.210 nan 0.000 0.408 349 T N 0.839 115.406 114.554 0.022 0.000 2.857 349 T HA 0.016 4.366 4.350 0.000 0.000 0.266 349 T C 1.913 176.637 174.700 0.041 0.000 1.048 349 T CA 0.984 63.105 62.100 0.035 0.000 1.139 349 T CB -0.122 68.776 68.868 0.050 0.000 0.874 349 T HN 0.224 nan 8.240 nan 0.000 0.455 350 I N 1.220 121.815 120.570 0.042 0.000 2.315 350 I HA -0.076 4.094 4.170 0.000 0.000 0.248 350 I C 2.839 178.990 176.117 0.056 0.000 1.117 350 I CA 1.175 62.522 61.300 0.078 0.000 1.404 350 I CB -0.570 37.507 38.000 0.129 0.000 1.071 350 I HN 0.295 nan 8.210 nan 0.000 0.419 351 G N -0.031 108.773 108.800 0.007 0.000 2.408 351 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 351 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 351 G C 1.571 176.482 174.900 0.019 0.000 1.150 351 G CA 0.326 45.419 45.100 -0.013 0.000 0.776 351 G HN 0.394 nan 8.290 nan 0.000 0.542 352 Q N -0.304 119.511 119.800 0.026 0.000 2.079 352 Q HA 0.091 4.431 4.340 0.000 0.000 0.200 352 Q C 2.644 178.687 176.000 0.072 0.000 0.974 352 Q CA 0.735 56.564 55.803 0.044 0.000 0.840 352 Q CB -0.222 28.536 28.738 0.034 0.000 0.898 352 Q HN 0.414 nan 8.270 nan 0.000 0.430 353 L N 0.142 121.408 121.223 0.071 0.000 2.027 353 L HA -0.169 4.171 4.340 0.000 0.000 0.206 353 L C 2.518 179.449 176.870 0.102 0.000 1.074 353 L CA 0.982 55.873 54.840 0.085 0.000 0.745 353 L CB -0.589 41.518 42.059 0.080 0.000 0.898 353 L HN 0.224 nan 8.230 nan 0.000 0.433 354 A N -0.748 122.132 122.820 0.100 0.000 1.933 354 A HA -0.182 4.138 4.320 0.000 0.000 0.218 354 A C 2.479 180.136 177.584 0.122 0.000 1.175 354 A CA 2.045 54.147 52.037 0.109 0.000 0.628 354 A CB -0.512 18.551 19.000 0.105 0.000 0.814 354 A HN 0.390 nan 8.150 nan 0.000 0.444 355 S N -0.579 115.193 115.700 0.120 0.000 2.383 355 S HA -0.089 4.381 4.470 0.000 0.000 0.227 355 S C 1.844 176.637 174.600 0.322 0.000 1.026 355 S CA 1.282 59.589 58.200 0.177 0.000 0.981 355 S CB -0.305 62.992 63.200 0.162 0.000 0.818 355 S HN 0.342 nan 8.310 nan 0.000 0.472 356 V N 1.760 121.819 119.914 0.243 0.000 2.358 356 V HA -0.088 4.032 4.120 0.000 0.000 0.246 356 V C 2.216 178.450 176.094 0.233 0.000 1.047 356 V CA 1.252 63.704 62.300 0.252 0.000 1.035 356 V CB -0.565 31.349 31.823 0.151 0.000 0.658 356 V HN 0.353 nan 8.190 nan 0.000 0.452 357 L N -0.484 120.841 121.223 0.169 0.000 2.046 357 L HA -0.193 4.147 4.340 0.000 0.000 0.208 357 L C 2.271 179.200 176.870 0.099 0.000 1.077 357 L CA 2.098 57.009 54.840 0.118 0.000 0.747 357 L CB -0.977 41.140 42.059 0.096 0.000 0.896 357 L HN 0.469 nan 8.230 nan 0.000 0.432 358 Y N -0.303 119.973 120.300 -0.041 0.000 2.014 358 Y HA -0.357 4.193 4.550 0.000 0.000 0.272 358 Y C 2.214 177.983 175.900 -0.218 0.000 1.164 358 Y CA 2.397 60.377 58.100 -0.200 0.000 1.114 358 Y CB -0.784 37.460 38.460 -0.359 0.000 0.961 358 Y HN 0.219 nan 8.280 nan 0.000 0.489 359 F N -0.957 119.030 119.950 0.062 0.000 2.186 359 F HA -0.162 4.365 4.527 0.000 0.000 0.299 359 F C 2.197 177.964 175.800 -0.055 0.000 1.090 359 F CA 1.095 59.074 58.000 -0.036 0.000 1.307 359 F CB -0.988 38.096 39.000 0.140 0.000 1.019 359 F HN 0.158 nan 8.300 nan 0.000 0.489 360 L N -0.039 121.281 121.223 0.161 0.000 2.017 360 L HA -0.178 4.162 4.340 0.000 0.000 0.208 360 L C 2.145 179.015 176.870 0.000 0.000 1.073 360 L CA 1.659 56.548 54.840 0.082 0.000 0.745 360 L CB -0.848 41.259 42.059 0.081 0.000 0.894 360 L HN 0.102 nan 8.230 nan 0.000 0.432 361 L N -1.205 119.984 121.223 -0.055 0.000 1.989 361 L HA -0.270 4.070 4.340 0.000 0.000 0.211 361 L C 2.441 179.226 176.870 -0.141 0.000 1.071 361 L CA 1.709 56.488 54.840 -0.101 0.000 0.749 361 L CB -0.454 41.520 42.059 -0.142 0.000 0.890 361 L HN 0.254 nan 8.230 nan 0.000 0.431 362 I N -0.684 119.751 120.570 -0.225 0.000 2.202 362 I HA -0.280 3.890 4.170 0.000 0.000 0.242 362 I C 2.261 178.303 176.117 -0.125 0.000 1.091 362 I CA 1.296 62.456 61.300 -0.234 0.000 1.368 362 I CB -0.177 37.588 38.000 -0.391 0.000 1.058 362 I HN 0.206 nan 8.210 nan 0.000 0.410 363 L N -0.568 120.625 121.223 -0.051 0.000 2.270 363 L HA -0.038 4.302 4.340 0.000 0.000 0.210 363 L C 1.940 178.812 176.870 0.003 0.000 1.104 363 L CA 0.530 55.377 54.840 0.011 0.000 0.804 363 L CB -0.066 42.053 42.059 0.101 0.000 0.937 363 L HN 0.097 nan 8.230 nan 0.000 0.450 364 V N -1.582 118.329 119.914 -0.005 0.000 3.161 364 V HA 0.012 4.132 4.120 0.000 0.000 0.221 364 V C 1.959 178.041 176.094 -0.020 0.000 1.296 364 V CA 0.050 62.348 62.300 -0.005 0.000 1.306 364 V CB 0.218 32.049 31.823 0.014 0.000 1.171 364 V HN 0.113 nan 8.190 nan 0.000 0.513 365 L N -0.317 120.893 121.223 -0.022 0.000 2.012 365 L HA -0.210 4.130 4.340 0.000 0.000 0.210 365 L C 2.560 179.405 176.870 -0.042 0.000 1.073 365 L CA 2.003 56.828 54.840 -0.025 0.000 0.748 365 L CB -0.490 41.557 42.059 -0.019 0.000 0.891 365 L HN 0.338 nan 8.230 nan 0.000 0.431 366 M N -0.796 118.766 119.600 -0.064 0.000 2.099 366 M HA -0.119 4.361 4.480 0.000 0.000 0.262 366 M C -0.236 176.009 176.300 -0.091 0.000 1.067 366 M CA 1.978 57.229 55.300 -0.081 0.000 1.124 366 M CB -1.187 31.351 32.600 -0.103 0.000 1.353 366 M HN 0.085 nan 8.290 nan 0.000 0.410 367 P HA -0.081 nan 4.420 nan 0.000 0.216 367 P C 1.263 178.521 177.300 -0.070 0.000 1.153 367 P CA 1.355 64.401 63.100 -0.089 0.000 0.848 367 P CB -0.168 31.492 31.700 -0.067 0.000 0.787 368 T N -0.406 114.119 114.554 -0.048 0.000 2.708 368 T HA -0.170 4.180 4.350 0.000 0.000 0.266 368 T C 1.894 176.574 174.700 -0.033 0.000 1.037 368 T CA 1.734 63.815 62.100 -0.032 0.000 1.146 368 T CB -1.015 67.842 68.868 -0.018 0.000 0.865 368 T HN 0.036 nan 8.240 nan 0.000 0.435 369 A N 1.406 124.202 122.820 -0.039 0.000 1.908 369 A HA 0.049 4.369 4.320 0.000 0.000 0.218 369 A C 2.635 180.191 177.584 -0.045 0.000 1.181 369 A CA 1.980 53.996 52.037 -0.035 0.000 0.627 369 A CB -1.420 17.556 19.000 -0.039 0.000 0.818 369 A HN 0.523 nan 8.150 nan 0.000 0.445 370 G N -1.216 107.534 108.800 -0.082 0.000 2.440 370 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 370 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 370 G C 1.565 176.428 174.900 -0.061 0.000 1.154 370 G CA 1.675 46.708 45.100 -0.110 0.000 0.767 370 G HN 0.445 nan 8.290 nan 0.000 0.552 371 T N 1.118 115.643 114.554 -0.048 0.000 2.857 371 T HA 0.030 4.380 4.350 0.000 0.000 0.266 371 T C 2.385 177.092 174.700 0.012 0.000 1.048 371 T CA 0.705 62.794 62.100 -0.018 0.000 1.139 371 T CB -0.092 68.764 68.868 -0.019 0.000 0.874 371 T HN 0.243 nan 8.240 nan 0.000 0.455 372 I N 1.010 121.584 120.570 0.006 0.000 2.315 372 I HA -0.149 4.021 4.170 0.000 0.000 0.248 372 I C 2.510 178.647 176.117 0.034 0.000 1.117 372 I CA 1.367 62.677 61.300 0.018 0.000 1.404 372 I CB -0.339 37.666 38.000 0.009 0.000 1.071 372 I HN 0.324 nan 8.210 nan 0.000 0.419 373 E N 0.677 120.898 120.200 0.036 0.000 2.150 373 E HA -0.177 4.173 4.350 0.000 0.000 0.193 373 E C 1.845 178.519 176.600 0.124 0.000 0.985 373 E CA 0.892 57.329 56.400 0.061 0.000 0.814 373 E CB -0.092 29.640 29.700 0.053 0.000 0.752 373 E HN 0.445 nan 8.360 nan 0.000 0.466 374 N N 0.918 119.712 118.700 0.156 0.000 2.120 374 N HA -0.138 4.602 4.740 0.000 0.000 0.188 374 N C 1.573 177.238 175.510 0.259 0.000 1.024 374 N CA 1.003 54.241 53.050 0.314 0.000 0.852 374 N CB -0.098 38.501 38.487 0.187 0.000 1.003 374 N HN -0.037 nan 8.380 nan 0.000 0.424 375 K N 1.061 121.539 120.400 0.130 0.000 2.026 375 K HA 0.077 4.397 4.320 0.000 0.000 0.208 375 K C 2.055 178.681 176.600 0.043 0.000 1.048 375 K CA 0.550 56.885 56.287 0.081 0.000 0.929 375 K CB -0.615 31.914 32.500 0.049 0.000 0.713 375 K HN 0.151 nan 8.250 nan 0.000 0.439 376 L N 0.010 121.252 121.223 0.031 0.000 2.127 376 L HA -0.139 4.201 4.340 0.000 0.000 0.211 376 L C 1.692 178.532 176.870 -0.049 0.000 1.089 376 L CA 0.948 55.786 54.840 -0.003 0.000 0.757 376 L CB -0.229 41.832 42.059 0.004 0.000 0.899 376 L HN 0.142 nan 8.230 nan 0.000 0.434 377 L N -0.699 120.482 121.223 -0.070 0.000 2.592 377 L HA 0.041 4.381 4.340 0.000 0.000 0.227 377 L C 0.457 177.125 176.870 -0.336 0.000 1.127 377 L CA 0.047 54.728 54.840 -0.265 0.000 0.884 377 L CB -0.082 41.721 42.059 -0.427 0.000 1.065 377 L HN 0.202 nan 8.230 nan 0.000 0.457 378 K N 0.354 120.688 120.400 -0.110 0.000 3.125 378 K HA -0.187 4.133 4.320 0.000 0.000 0.268 378 K C -0.877 175.772 176.600 0.081 0.000 1.078 378 K CA 0.702 56.968 56.287 -0.035 0.000 0.775 378 K CB -1.315 31.137 32.500 -0.079 0.000 1.253 378 K HN 0.549 nan 8.250 nan 0.000 0.486 379 W N 0.000 121.295 121.300 -0.008 0.000 2.388 379 W HA 0.000 4.660 4.660 0.000 0.000 0.303 379 W CA 0.000 57.342 57.345 -0.005 0.000 1.226 379 W CB 0.000 29.457 29.460 -0.004 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535