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 1pp9_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 0.000 176.864 176.870 -0.010 0.000 1.165 10 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 10 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 11 M N 1.187 120.781 119.600 -0.010 0.000 2.286 11 M HA -0.140 4.340 4.480 0.000 0.000 0.262 11 M C 0.860 177.153 176.300 -0.012 0.000 1.071 11 M CA 1.718 57.011 55.300 -0.012 0.000 1.091 11 M CB -0.153 32.441 32.600 -0.009 0.000 1.260 11 M HN 0.209 nan 8.290 nan 0.000 0.442 12 K N 0.984 121.378 120.400 -0.010 0.000 2.508 12 K HA -0.068 4.252 4.320 0.000 0.000 0.273 12 K C 0.463 177.056 176.600 -0.011 0.000 0.964 12 K CA 0.861 57.142 56.287 -0.010 0.000 0.948 12 K CB 0.028 32.523 32.500 -0.009 0.000 0.917 12 K HN 0.498 nan 8.250 nan 0.000 0.512 13 I N -0.241 120.322 120.570 -0.012 0.000 5.740 13 I HA -0.271 3.899 4.170 0.000 0.000 0.126 13 I C -0.491 175.619 176.117 -0.011 0.000 1.816 13 I CA 0.647 61.942 61.300 -0.008 0.000 2.039 13 I CB -2.754 35.242 38.000 -0.007 0.000 3.384 13 I HN 0.297 nan 8.210 nan 0.000 0.170 14 V N -0.280 119.623 119.914 -0.019 0.000 0.000 14 V HA 1.013 5.133 4.120 0.000 0.000 0.000 14 V C 0.111 176.184 176.094 -0.035 0.000 0.000 14 V CA -0.154 62.131 62.300 -0.025 0.000 0.000 14 V CB 2.301 34.111 31.823 -0.022 0.000 0.000 14 V HN 0.618 nan 8.190 nan 0.000 0.000 15 N N 0.067 nan 118.700 nan 0.000 0.000 15 N HA 0.218 4.958 4.740 0.000 0.000 0.000 15 N C -0.808 174.688 175.510 -0.023 0.000 0.000 15 N CA -0.643 52.396 53.050 -0.019 0.000 0.000 15 N CB 0.191 38.671 38.487 -0.010 0.000 0.000 15 N HN 0.461 nan 8.380 nan 0.000 0.000 16 N N 0.574 119.262 118.700 -0.020 0.000 2.657 16 N HA 0.428 5.168 4.740 0.000 0.000 0.308 16 N C -0.047 175.432 175.510 -0.051 0.000 1.212 16 N CA 1.407 54.438 53.050 -0.032 0.000 1.157 16 N CB -0.260 38.213 38.487 -0.023 0.000 1.462 16 N HN 0.669 nan 8.380 nan 0.000 0.509 17 A N -1.160 121.613 122.820 -0.079 0.000 2.385 17 A HA 0.127 4.447 4.320 0.000 0.000 0.214 17 A C 0.102 177.609 177.584 -0.128 0.000 2.805 17 A CA -0.346 51.640 52.037 -0.085 0.000 1.499 17 A CB -0.522 18.491 19.000 0.022 0.000 0.442 17 A HN 0.329 nan 8.150 nan 0.000 0.525 18 F N -1.103 118.764 119.950 -0.139 0.000 1.814 18 F HA 0.171 4.698 4.527 0.000 0.000 0.234 18 F C 1.262 177.046 175.800 -0.028 0.000 1.260 18 F CA 0.869 58.755 58.000 -0.190 0.000 1.272 18 F CB -0.718 38.201 39.000 -0.135 0.000 2.003 18 F HN -0.000 nan 8.300 nan 0.000 0.142 19 I N 1.944 122.529 120.570 0.026 0.000 2.087 19 I HA -0.216 3.954 4.170 0.000 0.000 0.240 19 I C 1.320 177.535 176.117 0.164 0.000 1.054 19 I CA 2.351 63.717 61.300 0.111 0.000 1.311 19 I CB -1.178 36.841 38.000 0.032 0.000 1.024 19 I HN 0.383 nan 8.210 nan 0.000 0.402 20 D N 0.774 121.228 120.400 0.090 0.000 2.427 20 D HA 0.135 4.775 4.640 0.000 0.000 0.224 20 D C 0.489 176.832 176.300 0.072 0.000 1.157 20 D CA -0.299 53.756 54.000 0.091 0.000 0.828 20 D CB 0.059 40.891 40.800 0.054 0.000 0.974 20 D HN 0.063 nan 8.370 nan 0.000 0.498 21 L N 2.231 123.493 121.223 0.066 0.000 2.513 21 L HA 0.173 4.513 4.340 0.000 0.000 0.272 21 L C -2.443 174.484 176.870 0.095 0.000 1.187 21 L CA -0.891 53.948 54.840 -0.002 0.000 0.895 21 L CB 0.388 42.379 42.059 -0.114 0.000 1.147 21 L HN -0.241 nan 8.230 nan 0.000 0.483 22 P HA 0.372 nan 4.420 nan 0.000 0.276 22 P C -1.403 175.954 177.300 0.095 0.000 1.230 22 P CA -0.207 62.939 63.100 0.076 0.000 0.776 22 P CB 1.274 32.995 31.700 0.034 0.000 0.888 23 A N 4.725 127.628 122.820 0.139 0.000 2.454 23 A HA 0.757 5.077 4.320 0.000 0.000 0.302 23 A C -2.836 174.785 177.584 0.063 0.000 1.079 23 A CA -2.169 49.932 52.037 0.107 0.000 0.731 23 A CB 0.828 19.935 19.000 0.179 0.000 1.299 23 A HN 0.276 nan 8.150 nan 0.000 0.413 24 P HA 0.082 nan 4.420 nan 0.000 0.269 24 P C 0.959 178.255 177.300 -0.006 0.000 1.209 24 P CA 0.365 63.422 63.100 -0.070 0.000 0.776 24 P CB 0.867 32.451 31.700 -0.194 0.000 0.876 25 S N 1.249 116.932 115.700 -0.029 0.000 2.453 25 S HA -0.107 4.363 4.470 0.000 0.000 0.231 25 S C 1.087 175.662 174.600 -0.042 0.000 1.005 25 S CA 0.778 58.951 58.200 -0.046 0.000 0.949 25 S CB -0.791 62.347 63.200 -0.103 0.000 0.774 25 S HN 0.569 nan 8.310 nan 0.000 0.510 26 N N 2.059 120.705 118.700 -0.090 0.000 2.238 26 N HA 0.133 4.873 4.740 0.000 0.000 0.222 26 N C 0.341 175.705 175.510 -0.243 0.000 1.133 26 N CA -0.488 52.487 53.050 -0.126 0.000 0.854 26 N CB -0.547 37.867 38.487 -0.121 0.000 1.041 26 N HN 0.707 nan 8.380 nan 0.000 0.510 27 I N -0.091 120.273 120.570 -0.343 0.000 2.692 27 I HA 0.195 4.365 4.170 0.000 0.000 0.284 27 I C 0.658 176.643 176.117 -0.219 0.000 1.159 27 I CA -0.721 60.171 61.300 -0.680 0.000 1.423 27 I CB 0.665 38.035 38.000 -1.050 0.000 1.380 27 I HN 0.040 nan 8.210 nan 0.000 0.580 28 S N 3.235 118.880 115.700 -0.092 0.000 2.666 28 S HA 0.287 4.757 4.470 0.000 0.000 0.279 28 S C 1.012 175.755 174.600 0.239 0.000 1.149 28 S CA -0.334 57.947 58.200 0.135 0.000 1.020 28 S CB 1.293 64.627 63.200 0.223 0.000 1.127 28 S HN 0.708 nan 8.310 nan 0.000 0.537 29 S N -0.262 115.490 115.700 0.086 0.000 2.440 29 S HA -0.070 4.400 4.470 0.000 0.000 0.238 29 S C 1.091 175.705 174.600 0.023 0.000 1.010 29 S CA 1.173 59.347 58.200 -0.043 0.000 0.972 29 S CB -0.614 62.451 63.200 -0.226 0.000 0.774 29 S HN 0.734 nan 8.310 nan 0.000 0.501 30 W N 0.310 121.844 121.300 0.389 0.000 2.525 30 W HA 0.032 4.692 4.660 0.000 0.000 0.259 30 W C 1.622 178.346 176.519 0.342 0.000 1.253 30 W CA -0.259 57.351 57.345 0.441 0.000 1.262 30 W CB -0.164 29.492 29.460 0.328 0.000 1.122 30 W HN 0.377 nan 8.180 nan 0.000 0.607 31 W N -0.020 121.453 121.300 0.288 0.000 3.256 31 W HA 0.003 4.663 4.660 0.000 0.000 0.269 31 W C 0.866 177.478 176.519 0.154 0.000 1.310 31 W CA 0.278 57.745 57.345 0.203 0.000 1.673 31 W CB -0.432 29.059 29.460 0.052 0.000 1.115 31 W HN -0.045 nan 8.180 nan 0.000 0.686 32 N N 0.072 118.884 118.700 0.186 0.000 2.409 32 N HA -0.095 4.645 4.740 0.000 0.000 0.179 32 N C 1.197 176.632 175.510 -0.124 0.000 1.032 32 N CA 0.978 54.009 53.050 -0.032 0.000 0.898 32 N CB -0.596 37.746 38.487 -0.241 0.000 0.971 32 N HN -0.072 nan 8.380 nan 0.000 0.441 33 F N 0.229 120.300 119.950 0.203 0.000 2.333 33 F HA 0.047 4.574 4.527 0.000 0.000 0.300 33 F C 2.354 178.193 175.800 0.065 0.000 1.083 33 F CA 0.740 58.842 58.000 0.170 0.000 1.395 33 F CB -0.750 38.419 39.000 0.281 0.000 1.056 33 F HN 0.072 nan 8.300 nan 0.000 0.529 34 G N -0.393 108.575 108.800 0.281 0.000 2.404 34 G HA2 -0.247 3.713 3.960 0.000 0.000 0.215 34 G HA3 -0.247 3.713 3.960 0.000 0.000 0.215 34 G C 1.820 176.751 174.900 0.052 0.000 1.174 34 G CA 1.023 46.208 45.100 0.140 0.000 0.780 34 G HN 0.432 nan 8.290 nan 0.000 0.537 35 S N 0.420 116.174 115.700 0.089 0.000 2.428 35 S HA 0.093 4.563 4.470 0.000 0.000 0.230 35 S C 2.317 176.901 174.600 -0.028 0.000 1.014 35 S CA 0.698 58.928 58.200 0.051 0.000 0.957 35 S CB -0.301 62.965 63.200 0.111 0.000 0.784 35 S HN 0.263 nan 8.310 nan 0.000 0.499 36 L N 0.383 121.577 121.223 -0.050 0.000 2.141 36 L HA 0.067 4.407 4.340 0.000 0.000 0.209 36 L C 2.460 179.234 176.870 -0.161 0.000 1.094 36 L CA 0.845 55.630 54.840 -0.091 0.000 0.763 36 L CB -0.518 41.489 42.059 -0.087 0.000 0.908 36 L HN 0.329 nan 8.230 nan 0.000 0.437 37 L N -0.649 120.468 121.223 -0.176 0.000 2.109 37 L HA -0.065 4.275 4.340 0.000 0.000 0.207 37 L C 2.635 179.282 176.870 -0.373 0.000 1.086 37 L CA 1.132 55.766 54.840 -0.345 0.000 0.760 37 L CB -0.852 41.039 42.059 -0.281 0.000 0.910 37 L HN 0.258 nan 8.230 nan 0.000 0.437 38 G N 0.149 108.829 108.800 -0.201 0.000 2.422 38 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 38 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 38 G C 1.588 176.378 174.900 -0.183 0.000 1.146 38 G CA 0.561 45.569 45.100 -0.152 0.000 0.769 38 G HN 0.276 nan 8.290 nan 0.000 0.547 39 I N 0.165 120.627 120.570 -0.180 0.000 2.353 39 I HA -0.137 4.033 4.170 0.000 0.000 0.248 39 I C 2.699 178.671 176.117 -0.242 0.000 1.119 39 I CA 0.353 61.556 61.300 -0.163 0.000 1.417 39 I CB -0.202 37.729 38.000 -0.115 0.000 1.078 39 I HN 0.179 nan 8.210 nan 0.000 0.421 40 C N 0.274 119.334 119.300 -0.400 0.000 2.429 40 C HA -0.142 4.318 4.460 0.000 0.000 0.277 40 C C 2.725 177.371 174.990 -0.572 0.000 1.262 40 C CA 0.425 59.106 59.018 -0.562 0.000 1.733 40 C CB -0.836 26.311 27.740 -0.989 0.000 2.010 40 C HN 0.485 nan 8.230 nan 0.000 0.483 41 L N 1.015 121.877 121.223 -0.602 0.000 2.017 41 L HA -0.062 4.278 4.340 0.000 0.000 0.208 41 L C 2.150 178.921 176.870 -0.166 0.000 1.073 41 L CA 1.902 56.579 54.840 -0.272 0.000 0.745 41 L CB -0.710 41.249 42.059 -0.167 0.000 0.894 41 L HN 0.318 nan 8.230 nan 0.000 0.432 42 I N -1.218 119.259 120.570 -0.154 0.000 2.286 42 I HA -0.314 3.856 4.170 0.000 0.000 0.248 42 I C 2.391 178.465 176.117 -0.072 0.000 1.115 42 I CA 0.971 62.214 61.300 -0.094 0.000 1.392 42 I CB -0.340 37.618 38.000 -0.070 0.000 1.065 42 I HN 0.259 nan 8.210 nan 0.000 0.418 43 L N -0.044 121.123 121.223 -0.092 0.000 2.017 43 L HA -0.229 4.111 4.340 0.000 0.000 0.208 43 L C 2.784 179.656 176.870 0.003 0.000 1.073 43 L CA 1.497 56.305 54.840 -0.054 0.000 0.745 43 L CB -0.800 41.213 42.059 -0.076 0.000 0.894 43 L HN 0.342 nan 8.230 nan 0.000 0.432 44 Q N -0.092 119.699 119.800 -0.014 0.000 2.084 44 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 44 Q C 2.226 178.292 176.000 0.109 0.000 0.978 44 Q CA 1.545 57.392 55.803 0.072 0.000 0.844 44 Q CB -0.328 28.420 28.738 0.017 0.000 0.898 44 Q HN 0.549 nan 8.270 nan 0.000 0.426 45 I N 0.295 120.840 120.570 -0.040 0.000 2.179 45 I HA -0.281 3.889 4.170 0.000 0.000 0.242 45 I C 2.276 178.401 176.117 0.014 0.000 1.088 45 I CA 0.879 62.108 61.300 -0.118 0.000 1.357 45 I CB -0.260 37.597 38.000 -0.238 0.000 1.051 45 I HN 0.135 nan 8.210 nan 0.000 0.409 46 L N 0.134 121.390 121.223 0.055 0.000 2.005 46 L HA -0.199 4.141 4.340 0.000 0.000 0.207 46 L C 2.861 179.837 176.870 0.176 0.000 1.072 46 L CA 2.099 57.018 54.840 0.131 0.000 0.744 46 L CB -1.142 40.950 42.059 0.055 0.000 0.895 46 L HN 0.415 nan 8.230 nan 0.000 0.433 47 T N -3.034 111.582 114.554 0.103 0.000 2.867 47 T HA -0.088 4.262 4.350 0.000 0.000 0.268 47 T C 1.917 176.622 174.700 0.007 0.000 1.057 47 T CA 0.949 63.102 62.100 0.088 0.000 1.136 47 T CB -0.880 68.070 68.868 0.135 0.000 0.874 47 T HN 0.393 nan 8.240 nan 0.000 0.466 48 G N 1.784 110.554 108.800 -0.049 0.000 2.421 48 G HA2 -0.062 3.898 3.960 0.000 0.000 0.216 48 G HA3 -0.062 3.898 3.960 0.000 0.000 0.216 48 G C 1.518 176.332 174.900 -0.143 0.000 1.171 48 G CA 0.785 45.717 45.100 -0.279 0.000 0.775 48 G HN 0.514 nan 8.290 nan 0.000 0.543 49 L N -0.824 120.373 121.223 -0.043 0.000 2.046 49 L HA -0.003 4.337 4.340 0.000 0.000 0.208 49 L C 2.705 179.568 176.870 -0.011 0.000 1.077 49 L CA 0.845 55.651 54.840 -0.057 0.000 0.747 49 L CB -0.421 41.638 42.059 -0.001 0.000 0.896 49 L HN 0.117 nan 8.230 nan 0.000 0.432 50 F N -0.250 119.696 119.950 -0.006 0.000 2.216 50 F HA -0.190 4.337 4.527 0.000 0.000 0.300 50 F C 2.249 178.112 175.800 0.104 0.000 1.085 50 F CA 1.192 59.222 58.000 0.050 0.000 1.326 50 F CB -0.434 38.589 39.000 0.038 0.000 1.027 50 F HN -0.053 nan 8.300 nan 0.000 0.497 51 L N -0.832 120.494 121.223 0.172 0.000 2.109 51 L HA -0.136 4.204 4.340 0.000 0.000 0.207 51 L C 2.617 179.593 176.870 0.178 0.000 1.086 51 L CA 1.008 55.922 54.840 0.124 0.000 0.760 51 L CB -0.946 41.067 42.059 -0.077 0.000 0.910 51 L HN 0.092 nan 8.230 nan 0.000 0.437 52 A N -0.489 122.423 122.820 0.153 0.000 2.125 52 A HA -0.169 4.151 4.320 0.000 0.000 0.219 52 A C 2.207 179.946 177.584 0.259 0.000 1.156 52 A CA 1.269 53.502 52.037 0.327 0.000 0.671 52 A CB -0.483 18.745 19.000 0.380 0.000 0.794 52 A HN 0.395 nan 8.150 nan 0.000 0.459 53 M N -1.362 118.286 119.600 0.081 0.000 2.562 53 M HA -0.004 4.476 4.480 0.000 0.000 0.257 53 M C 1.000 177.106 176.300 -0.324 0.000 1.099 53 M CA 0.870 56.082 55.300 -0.147 0.000 1.099 53 M CB -0.063 32.343 32.600 -0.324 0.000 1.427 53 M HN 0.498 nan 8.290 nan 0.000 0.489 54 H N -2.983 116.167 119.070 0.133 0.000 3.360 54 H HA 0.156 4.712 4.556 0.000 0.000 0.262 54 H C -0.528 174.875 175.328 0.125 0.000 1.149 54 H CA -0.190 55.942 56.048 0.140 0.000 1.181 54 H CB 0.480 30.336 29.762 0.156 0.000 1.564 54 H HN 0.216 nan 8.280 nan 0.000 0.565 55 Y N 3.527 123.864 120.300 0.061 0.000 2.304 55 Y HA 0.295 4.845 4.550 0.000 0.000 0.328 55 Y C 0.165 175.936 175.900 -0.215 0.000 1.123 55 Y CA -0.527 57.513 58.100 -0.101 0.000 1.218 55 Y CB 0.956 39.288 38.460 -0.214 0.000 1.207 55 Y HN -0.052 nan 8.280 nan 0.000 0.495 56 T N 1.160 115.078 114.554 -1.060 0.000 2.824 56 T HA 0.305 4.655 4.350 0.000 0.000 0.282 56 T C 0.325 174.292 174.700 -1.222 0.000 0.993 56 T CA -0.351 61.248 62.100 -0.835 0.000 0.967 56 T CB 1.247 69.862 68.868 -0.422 0.000 0.960 56 T HN 0.668 nan 8.240 nan 0.000 0.441 57 S N 0.654 115.879 115.700 -0.790 0.000 2.671 57 S HA 0.084 4.554 4.470 0.000 0.000 0.220 57 S C 0.233 174.602 174.600 -0.384 0.000 0.951 57 S CA -0.519 57.373 58.200 -0.514 0.000 0.932 57 S CB -0.331 62.787 63.200 -0.137 0.000 0.777 57 S HN 0.816 nan 8.310 nan 0.000 0.508 58 D N 2.387 122.563 120.400 -0.374 0.000 2.304 58 D HA 0.094 4.734 4.640 0.000 0.000 0.250 58 D C 1.410 177.477 176.300 -0.388 0.000 1.107 58 D CA 0.380 54.188 54.000 -0.320 0.000 0.885 58 D CB 1.904 42.564 40.800 -0.232 0.000 1.192 58 D HN 0.338 nan 8.370 nan 0.000 0.436 59 T N -0.105 114.166 114.554 -0.471 0.000 2.849 59 T HA -0.223 4.127 4.350 0.000 0.000 0.270 59 T C 1.722 176.266 174.700 -0.259 0.000 1.066 59 T CA 1.940 63.689 62.100 -0.585 0.000 1.130 59 T CB -0.519 68.026 68.868 -0.538 0.000 0.864 59 T HN 0.518 nan 8.240 nan 0.000 0.481 60 T N 0.025 114.470 114.554 -0.181 0.000 2.951 60 T HA -0.020 4.330 4.350 0.000 0.000 0.268 60 T C 1.925 176.578 174.700 -0.078 0.000 1.073 60 T CA 1.327 63.369 62.100 -0.097 0.000 1.134 60 T CB -0.662 68.153 68.868 -0.088 0.000 0.884 60 T HN 0.656 nan 8.240 nan 0.000 0.479 61 T N -2.674 111.804 114.554 -0.128 0.000 3.043 61 T HA 0.677 5.027 4.350 0.000 0.000 0.272 61 T C 1.988 176.605 174.700 -0.138 0.000 0.990 61 T CA 0.288 62.321 62.100 -0.112 0.000 0.897 61 T CB 0.015 68.792 68.868 -0.150 0.000 1.111 61 T HN 0.348 nan 8.240 nan 0.000 0.529 62 A N 1.729 124.442 122.820 -0.178 0.000 1.845 62 A HA 0.080 4.400 4.320 0.000 0.000 0.215 62 A C 1.821 179.445 177.584 0.066 0.000 1.195 62 A CA 1.458 53.383 52.037 -0.186 0.000 0.616 62 A CB -1.244 17.671 19.000 -0.142 0.000 0.832 62 A HN 0.477 nan 8.150 nan 0.000 0.443 63 F N 1.131 121.114 119.950 0.054 0.000 2.126 63 F HA -0.184 4.343 4.527 0.000 0.000 0.299 63 F C 2.657 178.500 175.800 0.071 0.000 1.096 63 F CA 1.891 59.950 58.000 0.099 0.000 1.255 63 F CB -0.338 38.733 39.000 0.119 0.000 0.997 63 F HN 0.198 nan 8.300 nan 0.000 0.479 64 S N -0.458 115.412 115.700 0.283 0.000 2.368 64 S HA -0.209 4.261 4.470 0.000 0.000 0.225 64 S C 2.299 176.954 174.600 0.091 0.000 1.030 64 S CA 1.462 59.772 58.200 0.184 0.000 0.999 64 S CB -0.658 62.611 63.200 0.114 0.000 0.844 64 S HN 0.640 nan 8.310 nan 0.000 0.459 65 S N 1.116 116.834 115.700 0.029 0.000 2.399 65 S HA -0.059 4.411 4.470 0.000 0.000 0.231 65 S C 1.822 176.492 174.600 0.117 0.000 1.022 65 S CA 1.175 59.406 58.200 0.051 0.000 0.983 65 S CB -0.620 62.523 63.200 -0.095 0.000 0.803 65 S HN 0.281 nan 8.310 nan 0.000 0.480 66 V N 2.828 122.771 119.914 0.048 0.000 2.379 66 V HA -0.123 3.997 4.120 0.000 0.000 0.245 66 V C 3.222 179.291 176.094 -0.042 0.000 1.044 66 V CA 2.018 64.312 62.300 -0.010 0.000 1.036 66 V CB -1.527 30.225 31.823 -0.120 0.000 0.664 66 V HN 0.886 nan 8.190 nan 0.000 0.453 67 T N -1.896 112.627 114.554 -0.051 0.000 2.867 67 T HA -0.285 4.066 4.350 0.000 0.000 0.268 67 T C 1.896 176.645 174.700 0.082 0.000 1.057 67 T CA 1.708 63.820 62.100 0.020 0.000 1.136 67 T CB -0.677 68.236 68.868 0.074 0.000 0.874 67 T HN 0.685 nan 8.240 nan 0.000 0.466 68 H N 1.040 120.119 119.070 0.015 0.000 2.389 68 H HA 0.027 4.583 4.556 0.000 0.000 0.299 68 H C 2.114 177.441 175.328 -0.002 0.000 1.081 68 H CA 1.449 57.507 56.048 0.017 0.000 1.345 68 H CB -0.243 29.530 29.762 0.019 0.000 1.393 68 H HN 0.433 nan 8.280 nan 0.000 0.520 69 I N 0.348 120.829 120.570 -0.149 0.000 2.142 69 I HA -0.321 3.849 4.170 0.000 0.000 0.240 69 I C 2.794 178.831 176.117 -0.133 0.000 1.078 69 I CA 1.216 62.379 61.300 -0.228 0.000 1.343 69 I CB -0.314 37.637 38.000 -0.081 0.000 1.046 69 I HN 0.341 nan 8.210 nan 0.000 0.405 70 C N 0.232 119.523 119.300 -0.016 0.000 2.432 70 C HA -0.056 4.404 4.460 0.000 0.000 0.280 70 C C 2.791 177.864 174.990 0.138 0.000 1.353 70 C CA 0.667 59.759 59.018 0.123 0.000 1.766 70 C CB -1.282 26.560 27.740 0.169 0.000 1.924 70 C HN 0.427 nan 8.230 nan 0.000 0.509 71 R N 0.080 120.609 120.500 0.047 0.000 2.123 71 R HA 0.040 4.380 4.340 0.000 0.000 0.209 71 R C 1.236 177.532 176.300 -0.005 0.000 1.078 71 R CA 0.868 56.990 56.100 0.036 0.000 1.028 71 R CB -0.046 30.283 30.300 0.049 0.000 0.939 71 R HN 0.426 nan 8.270 nan 0.000 0.463 72 D N -0.273 120.074 120.400 -0.088 0.000 2.423 72 D HA 0.074 4.714 4.640 0.000 0.000 0.212 72 D C 0.076 176.263 176.300 -0.189 0.000 1.060 72 D CA 0.276 54.211 54.000 -0.108 0.000 0.872 72 D CB 0.638 41.429 40.800 -0.015 0.000 1.012 72 D HN -0.131 nan 8.370 nan 0.000 0.503 73 V N 3.113 122.818 119.914 -0.347 0.000 2.572 73 V HA 0.019 4.139 4.120 0.000 0.000 0.291 73 V C 0.404 176.391 176.094 -0.177 0.000 1.039 73 V CA -0.610 61.489 62.300 -0.336 0.000 1.055 73 V CB 0.702 32.158 31.823 -0.611 0.000 0.969 73 V HN 0.100 nan 8.190 nan 0.000 0.482 74 N N 4.948 123.588 118.700 -0.100 0.000 2.411 74 N HA -0.008 4.732 4.740 0.000 0.000 0.265 74 N C 0.170 175.636 175.510 -0.074 0.000 1.266 74 N CA 0.374 53.365 53.050 -0.099 0.000 0.889 74 N CB -0.258 38.260 38.487 0.053 0.000 1.069 74 N HN 0.744 nan 8.380 nan 0.000 0.476 75 Y N -1.380 118.857 120.300 -0.105 0.000 4.604 75 Y HA -0.266 4.284 4.550 0.000 0.000 0.230 75 Y C 1.766 177.381 175.900 -0.475 0.000 1.066 75 Y CA 0.825 58.681 58.100 -0.408 0.000 1.990 75 Y CB -1.819 36.441 38.460 -0.333 0.000 1.619 75 Y HN 0.701 nan 8.280 nan 0.000 0.649 76 G N 0.482 109.160 108.800 -0.204 0.000 2.422 76 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 76 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 76 G C 1.386 176.220 174.900 -0.110 0.000 1.146 76 G CA 1.001 46.005 45.100 -0.158 0.000 0.769 76 G HN 0.773 nan 8.290 nan 0.000 0.547 77 W N 0.539 121.844 121.300 0.009 0.000 2.358 77 W HA 0.035 4.695 4.660 0.000 0.000 0.303 77 W C 1.981 178.615 176.519 0.191 0.000 1.208 77 W CA 0.595 58.008 57.345 0.114 0.000 1.274 77 W CB -1.178 28.386 29.460 0.173 0.000 1.138 77 W HN 0.226 nan 8.180 nan 0.000 0.515 78 I N 1.153 121.249 120.570 -0.790 0.000 2.315 78 I HA -0.262 3.908 4.170 0.000 0.000 0.248 78 I C 2.575 178.570 176.117 -0.204 0.000 1.117 78 I CA 1.446 62.401 61.300 -0.575 0.000 1.404 78 I CB -0.216 37.162 38.000 -1.036 0.000 1.071 78 I HN -0.174 nan 8.210 nan 0.000 0.419 79 I N 0.255 120.693 120.570 -0.221 0.000 2.226 79 I HA -0.277 3.893 4.170 0.000 0.000 0.245 79 I C 2.695 178.788 176.117 -0.041 0.000 1.100 79 I CA 0.874 62.106 61.300 -0.114 0.000 1.374 79 I CB -0.552 37.386 38.000 -0.102 0.000 1.057 79 I HN 0.244 nan 8.210 nan 0.000 0.413 80 R N 0.866 121.315 120.500 -0.085 0.000 2.062 80 R HA -0.190 4.150 4.340 0.000 0.000 0.231 80 R C 2.293 178.495 176.300 -0.163 0.000 1.136 80 R CA 1.963 57.967 56.100 -0.161 0.000 0.948 80 R CB -0.646 29.462 30.300 -0.320 0.000 0.845 80 R HN 0.277 nan 8.270 nan 0.000 0.430 81 Y N 0.131 120.520 120.300 0.149 0.000 2.421 81 Y HA -0.036 4.514 4.550 0.000 0.000 0.292 81 Y C 2.403 178.385 175.900 0.135 0.000 1.136 81 Y CA 0.990 59.191 58.100 0.168 0.000 1.255 81 Y CB -0.279 38.309 38.460 0.214 0.000 0.991 81 Y HN 0.049 nan 8.280 nan 0.000 0.552 82 M N -1.769 117.940 119.600 0.181 0.000 2.200 82 M HA -0.176 4.304 4.480 0.000 0.000 0.265 82 M C 1.971 178.352 176.300 0.136 0.000 1.066 82 M CA 1.451 56.826 55.300 0.124 0.000 1.127 82 M CB -0.244 32.384 32.600 0.046 0.000 1.379 82 M HN 0.280 nan 8.290 nan 0.000 0.420 83 H N 0.125 119.221 119.070 0.042 0.000 2.333 83 H HA 0.039 4.595 4.556 0.000 0.000 0.302 83 H C 1.916 177.300 175.328 0.094 0.000 1.075 83 H CA 2.003 58.081 56.048 0.051 0.000 1.348 83 H CB 0.076 29.854 29.762 0.026 0.000 1.393 83 H HN 0.303 nan 8.280 nan 0.000 0.509 84 A N 0.527 123.444 122.820 0.162 0.000 1.858 84 A HA -0.188 4.132 4.320 0.000 0.000 0.216 84 A C 2.211 179.904 177.584 0.182 0.000 1.190 84 A CA 1.756 53.891 52.037 0.163 0.000 0.617 84 A CB -0.455 18.672 19.000 0.212 0.000 0.827 84 A HN 0.549 nan 8.150 nan 0.000 0.443 85 N N -0.206 118.621 118.700 0.211 0.000 2.396 85 N HA -0.080 4.660 4.740 0.000 0.000 0.180 85 N C 1.762 177.373 175.510 0.168 0.000 1.028 85 N CA 1.044 54.225 53.050 0.217 0.000 0.893 85 N CB -0.285 38.332 38.487 0.217 0.000 0.967 85 N HN 0.507 nan 8.380 nan 0.000 0.440 86 G N 0.792 109.651 108.800 0.100 0.000 2.422 86 G HA2 -0.120 3.840 3.960 0.000 0.000 0.218 86 G HA3 -0.120 3.840 3.960 0.000 0.000 0.218 86 G C 1.644 176.584 174.900 0.067 0.000 1.140 86 G CA 0.830 45.959 45.100 0.049 0.000 0.775 86 G HN 0.360 nan 8.290 nan 0.000 0.545 87 A N 0.570 123.417 122.820 0.045 0.000 1.969 87 A HA 0.080 4.400 4.320 0.000 0.000 0.218 87 A C 2.655 180.314 177.584 0.126 0.000 1.169 87 A CA 2.088 54.149 52.037 0.041 0.000 0.635 87 A CB -0.473 18.526 19.000 -0.002 0.000 0.810 87 A HN 0.291 nan 8.150 nan 0.000 0.445 88 S N -0.637 115.225 115.700 0.270 0.000 2.368 88 S HA -0.103 4.367 4.470 0.000 0.000 0.224 88 S C 2.047 176.916 174.600 0.449 0.000 1.029 88 S CA 1.516 60.021 58.200 0.508 0.000 0.988 88 S CB -0.284 63.318 63.200 0.670 0.000 0.838 88 S HN 0.464 nan 8.310 nan 0.000 0.462 89 M N 0.284 120.053 119.600 0.282 0.000 2.159 89 M HA -0.018 4.462 4.480 0.000 0.000 0.263 89 M C 1.790 178.188 176.300 0.163 0.000 1.063 89 M CA 1.132 56.557 55.300 0.209 0.000 1.110 89 M CB -1.462 31.206 32.600 0.114 0.000 1.374 89 M HN 0.275 nan 8.290 nan 0.000 0.411 90 F N 0.482 120.377 119.950 -0.091 0.000 2.095 90 F HA -0.221 4.306 4.527 0.000 0.000 0.298 90 F C 2.112 177.645 175.800 -0.446 0.000 1.104 90 F CA 1.500 59.320 58.000 -0.300 0.000 1.232 90 F CB -0.783 37.932 39.000 -0.474 0.000 0.987 90 F HN 0.003 nan 8.300 nan 0.000 0.475 91 F N -0.331 119.552 119.950 -0.113 0.000 2.206 91 F HA -0.141 4.386 4.527 0.000 0.000 0.298 91 F C 2.423 178.076 175.800 -0.244 0.000 1.090 91 F CA 1.102 58.828 58.000 -0.457 0.000 1.323 91 F CB -0.643 37.861 39.000 -0.826 0.000 1.028 91 F HN -0.121 nan 8.300 nan 0.000 0.492 92 I N -0.866 119.903 120.570 0.330 0.000 2.163 92 I HA -0.383 3.787 4.170 0.000 0.000 0.243 92 I C 2.370 178.597 176.117 0.184 0.000 1.085 92 I CA 1.210 62.736 61.300 0.376 0.000 1.347 92 I CB -0.619 37.596 38.000 0.357 0.000 1.044 92 I HN 0.236 nan 8.210 nan 0.000 0.408 93 C N 0.425 119.819 119.300 0.157 0.000 2.429 93 C HA -0.128 4.332 4.460 0.000 0.000 0.277 93 C C 2.738 177.763 174.990 0.059 0.000 1.262 93 C CA 0.429 59.547 59.018 0.166 0.000 1.733 93 C CB -0.988 26.892 27.740 0.234 0.000 2.010 93 C HN 0.453 nan 8.230 nan 0.000 0.483 94 L N -0.434 120.774 121.223 -0.025 0.000 2.012 94 L HA -0.200 4.140 4.340 0.000 0.000 0.210 94 L C 2.619 179.542 176.870 0.088 0.000 1.073 94 L CA 1.777 56.581 54.840 -0.060 0.000 0.748 94 L CB -0.649 41.221 42.059 -0.315 0.000 0.891 94 L HN 0.329 nan 8.230 nan 0.000 0.431 95 Y N -1.355 119.016 120.300 0.119 0.000 2.242 95 Y HA -0.189 4.361 4.550 0.000 0.000 0.291 95 Y C 2.548 178.460 175.900 0.019 0.000 1.137 95 Y CA 0.615 58.765 58.100 0.084 0.000 1.181 95 Y CB -0.559 37.979 38.460 0.130 0.000 0.989 95 Y HN 0.143 nan 8.280 nan 0.000 0.527 96 M N -1.160 118.479 119.600 0.066 0.000 2.132 96 M HA -0.189 4.291 4.480 0.000 0.000 0.263 96 M C 2.102 178.372 176.300 -0.049 0.000 1.065 96 M CA 1.659 56.865 55.300 -0.156 0.000 1.122 96 M CB -1.490 30.544 32.600 -0.943 0.000 1.365 96 M HN 0.329 nan 8.290 nan 0.000 0.411 97 H N 0.433 119.461 119.070 -0.070 0.000 2.321 97 H HA -0.072 4.484 4.556 0.000 0.000 0.300 97 H C 1.966 177.356 175.328 0.102 0.000 1.087 97 H CA 1.925 58.024 56.048 0.085 0.000 1.319 97 H CB 0.031 29.871 29.762 0.130 0.000 1.379 97 H HN 0.062 nan 8.280 nan 0.000 0.501 98 V N -0.217 119.809 119.914 0.188 0.000 2.358 98 V HA -0.158 3.962 4.120 0.000 0.000 0.246 98 V C 2.681 178.885 176.094 0.183 0.000 1.047 98 V CA 1.712 64.110 62.300 0.163 0.000 1.035 98 V CB -1.077 30.840 31.823 0.158 0.000 0.658 98 V HN 0.712 nan 8.190 nan 0.000 0.452 99 G N 0.026 108.894 108.800 0.114 0.000 2.418 99 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 99 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 99 G C 1.729 176.628 174.900 -0.001 0.000 1.158 99 G CA 0.795 45.957 45.100 0.103 0.000 0.771 99 G HN 0.326 nan 8.290 nan 0.000 0.545 100 R N 1.228 121.673 120.500 -0.093 0.000 2.083 100 R HA -0.060 4.280 4.340 0.000 0.000 0.237 100 R C 2.688 178.969 176.300 -0.032 0.000 1.137 100 R CA 2.064 58.084 56.100 -0.134 0.000 0.951 100 R CB -1.351 28.875 30.300 -0.124 0.000 0.851 100 R HN 0.280 nan 8.270 nan 0.000 0.434 101 G N 1.291 110.102 108.800 0.018 0.000 2.440 101 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 101 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 101 G C 1.785 176.763 174.900 0.131 0.000 1.154 101 G CA 0.826 46.007 45.100 0.135 0.000 0.767 101 G HN 0.321 nan 8.290 nan 0.000 0.552 102 L N -1.313 120.046 121.223 0.227 0.000 2.027 102 L HA -0.021 4.319 4.340 0.000 0.000 0.206 102 L C 2.573 179.462 176.870 0.032 0.000 1.074 102 L CA 1.175 56.153 54.840 0.230 0.000 0.745 102 L CB -0.542 41.676 42.059 0.265 0.000 0.898 102 L HN 0.251 nan 8.230 nan 0.000 0.433 103 Y N -0.302 119.756 120.300 -0.402 0.000 2.181 103 Y HA -0.278 4.272 4.550 0.000 0.000 0.288 103 Y C 1.935 177.371 175.900 -0.773 0.000 1.146 103 Y CA 1.632 59.175 58.100 -0.928 0.000 1.164 103 Y CB -0.102 37.399 38.460 -1.599 0.000 0.982 103 Y HN 0.074 nan 8.280 nan 0.000 0.515 104 Y N -0.286 119.950 120.300 -0.107 0.000 2.457 104 Y HA 0.287 4.837 4.550 0.000 0.000 0.263 104 Y C 1.737 177.466 175.900 -0.286 0.000 1.164 104 Y CA 0.145 58.182 58.100 -0.104 0.000 1.274 104 Y CB 0.081 38.596 38.460 0.091 0.000 1.097 104 Y HN 0.200 nan 8.280 nan 0.000 0.523 105 G N -0.417 108.147 108.800 -0.393 0.000 2.198 105 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 105 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 105 G C 1.219 175.476 174.900 -1.071 0.000 1.025 105 G CA 0.674 45.175 45.100 -0.998 0.000 0.769 105 G HN 0.367 nan 8.290 nan 0.000 0.507 106 S N -0.543 114.768 115.700 -0.649 0.000 2.442 106 S HA -0.093 4.377 4.470 0.000 0.000 0.236 106 S C 1.933 176.217 174.600 -0.526 0.000 1.007 106 S CA 1.683 59.587 58.200 -0.493 0.000 0.965 106 S CB -0.399 62.724 63.200 -0.127 0.000 0.773 106 S HN 0.985 nan 8.310 nan 0.000 0.504 107 Y N 2.248 122.209 120.300 -0.564 0.000 2.556 107 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 107 Y C 2.224 177.813 175.900 -0.518 0.000 1.149 107 Y CA 0.892 58.451 58.100 -0.902 0.000 1.329 107 Y CB -2.119 35.120 38.460 -2.036 0.000 0.975 107 Y HN 0.281 nan 8.280 nan 0.000 0.561 108 T N -3.400 110.792 114.554 -0.603 0.000 3.051 108 T HA -0.086 4.264 4.350 0.000 0.000 0.269 108 T C 0.193 174.833 174.700 -0.100 0.000 1.127 108 T CA 0.083 61.969 62.100 -0.357 0.000 1.107 108 T CB -0.794 67.769 68.868 -0.508 0.000 0.898 108 T HN 0.138 nan 8.240 nan 0.000 0.517 109 F N 2.363 122.284 119.950 -0.048 0.000 2.567 109 F HA 0.482 5.009 4.527 0.000 0.000 0.352 109 F C 1.318 177.178 175.800 0.099 0.000 1.229 109 F CA -2.317 55.707 58.000 0.038 0.000 1.228 109 F CB -0.588 38.456 39.000 0.074 0.000 1.568 109 F HN 0.043 nan 8.300 nan 0.000 0.634 110 L N 0.505 121.866 121.223 0.231 0.000 2.013 110 L HA -0.265 4.075 4.340 0.000 0.000 0.212 110 L C 1.991 178.953 176.870 0.154 0.000 1.073 110 L CA 1.595 56.547 54.840 0.188 0.000 0.753 110 L CB -0.290 41.833 42.059 0.106 0.000 0.890 110 L HN 0.322 nan 8.230 nan 0.000 0.432 111 E N -0.362 119.846 120.200 0.012 0.000 2.047 111 E HA -0.149 4.201 4.350 0.000 0.000 0.191 111 E C 2.153 178.684 176.600 -0.115 0.000 0.987 111 E CA 1.733 57.975 56.400 -0.262 0.000 0.799 111 E CB -0.585 28.647 29.700 -0.780 0.000 0.752 111 E HN 0.337 nan 8.360 nan 0.000 0.449 112 T N 0.805 115.402 114.554 0.072 0.000 2.684 112 T HA -0.208 4.142 4.350 0.000 0.000 0.267 112 T C 1.323 176.240 174.700 0.362 0.000 1.036 112 T CA 1.336 63.553 62.100 0.196 0.000 1.148 112 T CB -0.469 68.493 68.868 0.158 0.000 0.863 112 T HN 0.384 nan 8.240 nan 0.000 0.436 113 W N 2.519 123.932 121.300 0.188 0.000 2.333 113 W HA -0.183 4.477 4.660 0.000 0.000 0.316 113 W C 1.861 178.462 176.519 0.138 0.000 1.215 113 W CA 1.238 58.698 57.345 0.191 0.000 1.278 113 W CB -0.502 29.064 29.460 0.177 0.000 1.154 113 W HN 0.223 nan 8.180 nan 0.000 0.486 114 N N 0.900 119.727 118.700 0.212 0.000 2.223 114 N HA -0.182 4.558 4.740 0.000 0.000 0.185 114 N C 1.743 177.236 175.510 -0.029 0.000 1.016 114 N CA 1.899 54.978 53.050 0.049 0.000 0.863 114 N CB -0.776 37.764 38.487 0.088 0.000 0.983 114 N HN 0.308 nan 8.380 nan 0.000 0.429 115 I N 0.534 121.115 120.570 0.018 0.000 2.315 115 I HA -0.146 4.024 4.170 0.000 0.000 0.248 115 I C 2.367 178.440 176.117 -0.073 0.000 1.117 115 I CA 1.008 62.319 61.300 0.018 0.000 1.404 115 I CB -0.488 37.594 38.000 0.138 0.000 1.071 115 I HN 0.128 nan 8.210 nan 0.000 0.419 116 G N 0.460 109.209 108.800 -0.086 0.000 2.422 116 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 116 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 116 G C 1.694 176.426 174.900 -0.281 0.000 1.146 116 G CA 0.818 45.760 45.100 -0.265 0.000 0.769 116 G HN 0.249 nan 8.290 nan 0.000 0.547 117 V N 1.053 120.779 119.914 -0.313 0.000 2.407 117 V HA -0.141 3.979 4.120 0.000 0.000 0.248 117 V C 2.756 178.771 176.094 -0.132 0.000 1.055 117 V CA 1.442 63.596 62.300 -0.245 0.000 1.049 117 V CB -0.339 31.355 31.823 -0.215 0.000 0.662 117 V HN 0.396 nan 8.190 nan 0.000 0.455 118 I N -0.605 119.901 120.570 -0.108 0.000 2.252 118 I HA -0.237 3.933 4.170 0.000 0.000 0.245 118 I C 2.312 178.374 176.117 -0.091 0.000 1.102 118 I CA 1.447 62.704 61.300 -0.071 0.000 1.385 118 I CB -0.265 37.706 38.000 -0.047 0.000 1.064 118 I HN 0.253 nan 8.210 nan 0.000 0.414 119 L N -0.174 120.969 121.223 -0.135 0.000 2.046 119 L HA -0.240 4.100 4.340 0.000 0.000 0.208 119 L C 2.547 179.322 176.870 -0.158 0.000 1.077 119 L CA 1.016 55.761 54.840 -0.159 0.000 0.747 119 L CB -0.515 41.405 42.059 -0.233 0.000 0.896 119 L HN 0.282 nan 8.230 nan 0.000 0.432 120 L N -0.245 120.896 121.223 -0.138 0.000 2.046 120 L HA -0.214 4.127 4.340 0.000 0.000 0.208 120 L C 2.289 179.138 176.870 -0.035 0.000 1.077 120 L CA 1.768 56.552 54.840 -0.092 0.000 0.747 120 L CB -0.408 41.633 42.059 -0.029 0.000 0.896 120 L HN 0.106 nan 8.230 nan 0.000 0.432 121 L N -1.307 119.900 121.223 -0.026 0.000 2.093 121 L HA -0.186 4.154 4.340 0.000 0.000 0.208 121 L C 2.291 179.154 176.870 -0.011 0.000 1.085 121 L CA 1.664 56.505 54.840 0.001 0.000 0.755 121 L CB -0.948 41.106 42.059 -0.008 0.000 0.904 121 L HN 0.274 nan 8.230 nan 0.000 0.435 122 T N -0.909 113.615 114.554 -0.050 0.000 2.821 122 T HA -0.114 4.236 4.350 0.000 0.000 0.267 122 T C 1.984 176.632 174.700 -0.086 0.000 1.046 122 T CA 1.077 63.142 62.100 -0.057 0.000 1.139 122 T CB -0.111 68.715 68.868 -0.071 0.000 0.871 122 T HN 0.050 nan 8.240 nan 0.000 0.454 123 V N 1.506 121.313 119.914 -0.178 0.000 2.427 123 V HA -0.133 3.987 4.120 0.000 0.000 0.248 123 V C 2.454 178.495 176.094 -0.087 0.000 1.051 123 V CA 1.478 63.571 62.300 -0.345 0.000 1.048 123 V CB -0.600 30.763 31.823 -0.766 0.000 0.666 123 V HN 0.480 nan 8.190 nan 0.000 0.456 124 M N -0.108 119.564 119.600 0.119 0.000 2.086 124 M HA -0.150 4.330 4.480 0.000 0.000 0.261 124 M C 2.416 178.931 176.300 0.357 0.000 1.067 124 M CA 2.187 57.742 55.300 0.424 0.000 1.116 124 M CB -0.582 32.216 32.600 0.330 0.000 1.348 124 M HN 0.393 nan 8.290 nan 0.000 0.407 125 A N -0.184 122.751 122.820 0.192 0.000 1.902 125 A HA -0.149 4.171 4.320 0.000 0.000 0.217 125 A C 2.183 179.915 177.584 0.247 0.000 1.181 125 A CA 2.233 54.406 52.037 0.227 0.000 0.623 125 A CB -1.146 17.916 19.000 0.103 0.000 0.818 125 A HN 0.461 nan 8.150 nan 0.000 0.443 126 T N 0.264 114.906 114.554 0.147 0.000 2.708 126 T HA -0.034 4.316 4.350 0.000 0.000 0.266 126 T C 2.239 177.106 174.700 0.278 0.000 1.037 126 T CA 1.690 63.884 62.100 0.156 0.000 1.146 126 T CB -0.469 68.396 68.868 -0.005 0.000 0.865 126 T HN 0.599 nan 8.240 nan 0.000 0.435 127 A N 1.279 124.243 122.820 0.241 0.000 1.933 127 A HA -0.026 4.294 4.320 0.000 0.000 0.218 127 A C 1.999 179.788 177.584 0.341 0.000 1.175 127 A CA 1.437 53.631 52.037 0.262 0.000 0.628 127 A CB -0.907 18.246 19.000 0.256 0.000 0.814 127 A HN 0.510 nan 8.150 nan 0.000 0.444 128 F N 0.808 120.949 119.950 0.318 0.000 2.046 128 F HA -0.204 4.323 4.527 0.000 0.000 0.297 128 F C 2.161 178.117 175.800 0.260 0.000 1.123 128 F CA 2.135 60.337 58.000 0.336 0.000 1.199 128 F CB -0.700 38.453 39.000 0.256 0.000 0.972 128 F HN 0.185 nan 8.300 nan 0.000 0.474 129 M N 0.398 119.751 119.600 -0.411 0.000 2.213 129 M HA -0.091 4.389 4.480 0.000 0.000 0.263 129 M C 2.457 178.587 176.300 -0.283 0.000 1.062 129 M CA 1.628 56.614 55.300 -0.524 0.000 1.105 129 M CB -1.335 31.034 32.600 -0.386 0.000 1.385 129 M HN 0.388 nan 8.290 nan 0.000 0.417 130 G N -0.743 107.816 108.800 -0.401 0.000 2.402 130 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 130 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 130 G C 1.311 176.115 174.900 -0.160 0.000 1.162 130 G CA 0.436 45.078 45.100 -0.764 0.000 0.777 130 G HN 0.374 nan 8.290 nan 0.000 0.539 131 Y N 1.200 121.439 120.300 -0.101 0.000 2.333 131 Y HA -0.053 4.497 4.550 0.000 0.000 0.290 131 Y C 2.729 178.649 175.900 0.033 0.000 1.144 131 Y CA 0.591 58.696 58.100 0.008 0.000 1.228 131 Y CB -0.046 38.475 38.460 0.103 0.000 0.985 131 Y HN 0.064 nan 8.280 nan 0.000 0.542 132 V N -0.264 119.679 119.914 0.048 0.000 2.591 132 V HA -0.270 3.850 4.120 0.000 0.000 0.249 132 V C 2.385 178.577 176.094 0.163 0.000 1.053 132 V CA 1.323 63.674 62.300 0.084 0.000 1.068 132 V CB -0.631 31.305 31.823 0.188 0.000 0.689 132 V HN 0.356 nan 8.190 nan 0.000 0.462 133 L N 0.985 122.246 121.223 0.063 0.000 2.043 133 L HA -0.137 4.203 4.340 0.000 0.000 0.212 133 L C 0.088 177.053 176.870 0.158 0.000 1.075 133 L CA 1.781 56.649 54.840 0.048 0.000 0.752 133 L CB -2.093 39.790 42.059 -0.294 0.000 0.891 133 L HN 0.401 nan 8.230 nan 0.000 0.432 134 P HA -0.235 nan 4.420 nan 0.000 0.237 134 P C 0.393 177.883 177.300 0.316 0.000 1.178 134 P CA 0.574 63.738 63.100 0.106 0.000 0.766 134 P CB -0.154 31.494 31.700 -0.087 0.000 0.876 135 W N 0.381 121.710 121.300 0.048 0.000 5.963 135 W HA -0.152 4.508 4.660 0.000 0.000 0.400 135 W C -0.072 176.543 176.519 0.160 0.000 1.530 135 W CA 0.179 57.576 57.345 0.087 0.000 1.004 135 W CB -1.382 28.136 29.460 0.097 0.000 2.706 135 W HN -0.020 nan 8.180 nan 0.000 1.495 136 G N 0.379 109.254 108.800 0.125 0.000 2.568 136 G HA2 0.197 4.157 3.960 0.000 0.000 0.293 136 G HA3 0.197 4.157 3.960 0.000 0.000 0.293 136 G C 0.560 175.407 174.900 -0.089 0.000 1.347 136 G CA 0.003 45.172 45.100 0.115 0.000 1.039 136 G HN 0.196 nan 8.290 nan 0.000 0.523 137 Q N -0.968 118.823 119.800 -0.015 0.000 2.084 137 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 137 Q C 2.728 178.806 176.000 0.131 0.000 0.978 137 Q CA 1.131 56.969 55.803 0.059 0.000 0.844 137 Q CB -0.221 28.608 28.738 0.153 0.000 0.898 137 Q HN 0.430 nan 8.270 nan 0.000 0.426 138 M N 0.061 119.700 119.600 0.066 0.000 2.175 138 M HA -0.085 4.395 4.480 0.000 0.000 0.264 138 M C 2.192 178.465 176.300 -0.045 0.000 1.063 138 M CA 1.048 56.401 55.300 0.089 0.000 1.119 138 M CB -1.016 31.647 32.600 0.105 0.000 1.377 138 M HN 0.021 nan 8.290 nan 0.000 0.415 139 S N 0.708 116.254 115.700 -0.257 0.000 2.353 139 S HA -0.163 4.308 4.470 0.000 0.000 0.222 139 S C 1.775 176.230 174.600 -0.241 0.000 1.035 139 S CA 1.369 59.419 58.200 -0.249 0.000 1.025 139 S CB -0.614 62.469 63.200 -0.195 0.000 0.902 139 S HN 0.422 nan 8.310 nan 0.000 0.440 140 F N 0.660 120.234 119.950 -0.627 0.000 2.102 140 F HA -0.111 4.416 4.527 0.000 0.000 0.298 140 F C 1.811 177.144 175.800 -0.779 0.000 1.105 140 F CA 1.409 58.824 58.000 -0.976 0.000 1.239 140 F CB -0.336 37.847 39.000 -1.362 0.000 0.991 140 F HN 0.239 nan 8.300 nan 0.000 0.474 141 W N -0.153 121.159 121.300 0.020 0.000 2.584 141 W HA 0.105 4.765 4.660 0.000 0.000 0.264 141 W C 2.540 179.083 176.519 0.041 0.000 1.264 141 W CA 0.801 58.164 57.345 0.030 0.000 1.306 141 W CB -0.977 28.536 29.460 0.088 0.000 1.110 141 W HN 0.075 nan 8.180 nan 0.000 0.606 142 G N 0.349 109.284 108.800 0.226 0.000 2.403 142 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 142 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 142 G C 1.676 176.822 174.900 0.410 0.000 1.154 142 G CA 1.105 46.400 45.100 0.325 0.000 0.784 142 G HN 0.254 nan 8.290 nan 0.000 0.538 143 A N 0.405 123.399 122.820 0.289 0.000 1.902 143 A HA -0.002 4.318 4.320 0.000 0.000 0.217 143 A C 2.524 180.259 177.584 0.253 0.000 1.181 143 A CA 2.428 54.685 52.037 0.368 0.000 0.623 143 A CB -0.928 18.022 19.000 -0.082 0.000 0.818 143 A HN 0.288 nan 8.150 nan 0.000 0.443 144 T N -0.278 114.246 114.554 -0.049 0.000 2.643 144 T HA -0.128 4.222 4.350 0.000 0.000 0.264 144 T C 1.934 176.821 174.700 0.310 0.000 1.045 144 T CA 1.757 63.903 62.100 0.077 0.000 1.155 144 T CB -0.548 68.290 68.868 -0.050 0.000 0.863 144 T HN 0.148 nan 8.240 nan 0.000 0.420 145 V N 1.428 121.489 119.914 0.245 0.000 2.237 145 V HA -0.148 3.972 4.120 0.000 0.000 0.245 145 V C 2.448 178.599 176.094 0.095 0.000 1.046 145 V CA 1.657 64.068 62.300 0.185 0.000 1.007 145 V CB -0.670 31.249 31.823 0.161 0.000 0.638 145 V HN 0.454 nan 8.190 nan 0.000 0.445 146 I N 0.052 120.623 120.570 0.003 0.000 2.226 146 I HA -0.246 3.924 4.170 0.000 0.000 0.245 146 I C 2.512 178.584 176.117 -0.075 0.000 1.100 146 I CA 1.934 63.105 61.300 -0.214 0.000 1.374 146 I CB -0.671 36.855 38.000 -0.789 0.000 1.057 146 I HN 0.337 nan 8.210 nan 0.000 0.413 147 T N 0.305 114.960 114.554 0.169 0.000 2.867 147 T HA -0.113 4.237 4.350 0.000 0.000 0.268 147 T C 1.674 176.393 174.700 0.032 0.000 1.057 147 T CA 1.028 63.251 62.100 0.206 0.000 1.136 147 T CB -0.302 68.844 68.868 0.462 0.000 0.874 147 T HN 0.260 nan 8.240 nan 0.000 0.466 148 N N 1.132 119.882 118.700 0.085 0.000 2.520 148 N HA 0.086 4.826 4.740 0.000 0.000 0.185 148 N C 1.632 177.135 175.510 -0.012 0.000 1.068 148 N CA 0.327 53.388 53.050 0.018 0.000 0.911 148 N CB -0.327 38.235 38.487 0.126 0.000 0.961 148 N HN 0.415 nan 8.380 nan 0.000 0.446 149 L N 0.229 121.439 121.223 -0.023 0.000 2.127 149 L HA -0.139 4.201 4.340 0.000 0.000 0.211 149 L C 1.968 178.812 176.870 -0.043 0.000 1.089 149 L CA 0.781 55.596 54.840 -0.042 0.000 0.757 149 L CB -0.333 41.681 42.059 -0.074 0.000 0.899 149 L HN 0.159 nan 8.230 nan 0.000 0.434 150 L N -0.434 120.761 121.223 -0.046 0.000 2.275 150 L HA -0.151 4.189 4.340 0.000 0.000 0.215 150 L C 2.677 179.516 176.870 -0.052 0.000 1.119 150 L CA 1.130 55.944 54.840 -0.044 0.000 0.790 150 L CB -0.566 41.470 42.059 -0.038 0.000 0.919 150 L HN 0.383 nan 8.230 nan 0.000 0.443 151 S N -0.138 115.525 115.700 -0.062 0.000 2.547 151 S HA -0.057 4.413 4.470 0.000 0.000 0.235 151 S C 1.925 176.497 174.600 -0.047 0.000 0.980 151 S CA 0.636 58.802 58.200 -0.057 0.000 0.941 151 S CB -0.174 62.997 63.200 -0.049 0.000 0.763 151 S HN 0.347 nan 8.310 nan 0.000 0.532 152 A N 1.100 123.893 122.820 -0.045 0.000 2.167 152 A HA 0.382 4.702 4.320 0.000 0.000 0.214 152 A C 0.900 178.447 177.584 -0.061 0.000 1.151 152 A CA -0.069 51.938 52.037 -0.050 0.000 0.735 152 A CB -0.528 18.446 19.000 -0.044 0.000 0.802 152 A HN 0.626 nan 8.150 nan 0.000 0.467 153 I N 1.686 122.225 120.570 -0.052 0.000 2.517 153 I HA 0.106 4.276 4.170 0.000 0.000 0.285 153 I C -2.271 173.800 176.117 -0.077 0.000 1.106 153 I CA -1.754 59.517 61.300 -0.048 0.000 1.402 153 I CB 0.810 38.797 38.000 -0.023 0.000 1.399 153 I HN 0.052 nan 8.210 nan 0.000 0.535 154 P HA 0.067 nan 4.420 nan 0.000 0.269 154 P C -0.305 176.856 177.300 -0.231 0.000 1.215 154 P CA 0.315 63.220 63.100 -0.325 0.000 0.780 154 P CB 0.298 31.701 31.700 -0.494 0.000 0.898 155 Y N -0.276 120.015 120.300 -0.016 0.000 2.742 155 Y HA -0.343 4.207 4.550 0.000 0.000 0.485 155 Y C 1.541 177.431 175.900 -0.017 0.000 1.119 155 Y CA 1.523 59.613 58.100 -0.016 0.000 2.917 155 Y CB -1.840 36.608 38.460 -0.021 0.000 0.951 155 Y HN 0.400 nan 8.280 nan 0.000 0.562 156 I N -2.406 118.236 120.570 0.121 0.000 4.139 156 I HA 0.489 4.659 4.170 0.000 0.000 0.335 156 I C 2.008 178.133 176.117 0.013 0.000 1.327 156 I CA 0.677 62.009 61.300 0.053 0.000 1.112 156 I CB -0.044 37.974 38.000 0.029 0.000 1.058 156 I HN 0.266 nan 8.210 nan 0.000 0.396 157 G N 2.321 111.119 108.800 -0.004 0.000 2.649 157 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 157 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 157 G C 1.442 176.319 174.900 -0.038 0.000 1.189 157 G CA 2.250 47.333 45.100 -0.027 0.000 0.777 157 G HN 0.408 nan 8.290 nan 0.000 0.602 158 T N 1.077 115.615 114.554 -0.026 0.000 2.788 158 T HA -0.123 4.227 4.350 0.000 0.000 0.268 158 T C 2.275 176.967 174.700 -0.014 0.000 1.044 158 T CA 1.270 63.354 62.100 -0.027 0.000 1.139 158 T CB -0.282 68.597 68.868 0.018 0.000 0.867 158 T HN 0.360 nan 8.240 nan 0.000 0.454 159 N N 1.216 119.927 118.700 0.019 0.000 2.120 159 N HA 0.011 4.751 4.740 0.000 0.000 0.188 159 N C 1.958 177.502 175.510 0.057 0.000 1.024 159 N CA 0.900 53.975 53.050 0.042 0.000 0.852 159 N CB -0.339 38.165 38.487 0.028 0.000 1.003 159 N HN 0.334 nan 8.380 nan 0.000 0.424 160 L N 1.048 122.290 121.223 0.032 0.000 2.046 160 L HA -0.139 4.201 4.340 0.000 0.000 0.208 160 L C 2.395 179.316 176.870 0.085 0.000 1.077 160 L CA 0.824 55.724 54.840 0.101 0.000 0.747 160 L CB -0.376 41.713 42.059 0.049 0.000 0.896 160 L HN -0.033 nan 8.230 nan 0.000 0.432 161 V N -0.128 119.715 119.914 -0.120 0.000 2.261 161 V HA -0.286 3.834 4.120 0.000 0.000 0.246 161 V C 2.318 178.104 176.094 -0.515 0.000 1.047 161 V CA 1.940 63.974 62.300 -0.444 0.000 1.015 161 V CB -0.523 30.900 31.823 -0.667 0.000 0.642 161 V HN 0.482 nan 8.190 nan 0.000 0.446 162 E N -1.209 118.848 120.200 -0.240 0.000 2.153 162 E HA -0.278 4.072 4.350 0.000 0.000 0.194 162 E C 1.929 178.571 176.600 0.071 0.000 0.988 162 E CA 1.563 57.941 56.400 -0.038 0.000 0.811 162 E CB -0.234 29.472 29.700 0.009 0.000 0.746 162 E HN 0.791 nan 8.360 nan 0.000 0.466 163 W N 1.561 122.821 121.300 -0.066 0.000 2.381 163 W HA -0.134 4.526 4.660 0.000 0.000 0.301 163 W C 1.767 178.325 176.519 0.065 0.000 1.205 163 W CA 0.897 58.239 57.345 -0.005 0.000 1.285 163 W CB -0.077 29.380 29.460 -0.006 0.000 1.133 163 W HN -0.084 nan 8.180 nan 0.000 0.521 164 I N -0.253 120.301 120.570 -0.026 0.000 2.226 164 I HA -0.292 3.878 4.170 0.000 0.000 0.245 164 I C 1.987 178.182 176.117 0.129 0.000 1.100 164 I CA 1.495 62.762 61.300 -0.055 0.000 1.374 164 I CB -1.798 36.264 38.000 0.102 0.000 1.057 164 I HN 0.145 nan 8.210 nan 0.000 0.413 165 W N 0.814 122.104 121.300 -0.017 0.000 2.467 165 W HA 0.105 4.765 4.660 0.000 0.000 0.275 165 W C 1.856 178.300 176.519 -0.124 0.000 1.239 165 W CA 1.323 58.623 57.345 -0.075 0.000 1.266 165 W CB -1.097 28.333 29.460 -0.050 0.000 1.112 165 W HN 0.425 nan 8.180 nan 0.000 0.576 166 G N 0.211 109.062 108.800 0.085 0.000 2.147 166 G HA2 0.084 4.044 3.960 0.000 0.000 0.244 166 G HA3 0.084 4.044 3.960 0.000 0.000 0.244 166 G C 0.415 175.297 174.900 -0.030 0.000 1.005 166 G CA 0.391 45.478 45.100 -0.022 0.000 0.713 166 G HN 0.748 nan 8.290 nan 0.000 0.515 167 G N -2.380 106.413 108.800 -0.011 0.000 2.325 167 G HA2 0.533 4.493 3.960 0.000 0.000 0.295 167 G HA3 0.533 4.493 3.960 0.000 0.000 0.295 167 G C -0.068 174.775 174.900 -0.096 0.000 1.274 167 G CA 0.036 45.048 45.100 -0.146 0.000 0.857 167 G HN 0.403 nan 8.290 nan 0.000 0.499 168 F N 1.686 121.777 119.950 0.235 0.000 2.797 168 F HA 0.415 4.942 4.527 0.000 0.000 0.302 168 F C 1.533 177.535 175.800 0.337 0.000 1.130 168 F CA 0.458 58.632 58.000 0.289 0.000 1.387 168 F CB 0.264 39.372 39.000 0.179 0.000 1.107 168 F HN 0.604 nan 8.300 nan 0.000 0.577 169 S N -2.368 113.477 115.700 0.242 0.000 2.611 169 S HA 0.525 4.995 4.470 0.000 0.000 0.268 169 S C -0.992 173.198 174.600 -0.682 0.000 1.156 169 S CA -1.201 56.814 58.200 -0.308 0.000 0.817 169 S CB 1.166 64.314 63.200 -0.088 0.000 1.122 169 S HN -0.268 nan 8.310 nan 0.000 0.466 170 V N 2.165 121.368 119.914 -1.184 0.000 2.529 170 V HA 0.439 4.559 4.120 0.000 0.000 0.292 170 V C 0.124 176.066 176.094 -0.254 0.000 1.028 170 V CA 0.896 62.614 62.300 -0.969 0.000 1.074 170 V CB 0.541 31.584 31.823 -1.300 0.000 0.958 170 V HN 0.960 nan 8.190 nan 0.000 0.481 171 D N 2.269 122.607 120.400 -0.102 0.000 3.103 171 D HA 0.247 4.887 4.640 0.000 0.000 0.337 171 D C 0.909 177.140 176.300 -0.115 0.000 1.356 171 D CA -0.678 53.350 54.000 0.047 0.000 0.951 171 D CB 1.111 41.909 40.800 -0.004 0.000 1.438 171 D HN 0.262 nan 8.370 nan 0.000 0.562 172 K N 0.134 120.440 120.400 -0.156 0.000 2.034 172 K HA -0.169 4.151 4.320 0.000 0.000 0.214 172 K C 1.852 178.312 176.600 -0.234 0.000 1.051 172 K CA 1.966 58.101 56.287 -0.254 0.000 0.931 172 K CB -0.301 32.092 32.500 -0.178 0.000 0.715 172 K HN 0.338 nan 8.250 nan 0.000 0.446 173 A N 1.021 123.745 122.820 -0.159 0.000 1.940 173 A HA -0.189 4.131 4.320 0.000 0.000 0.219 173 A C 2.228 179.709 177.584 -0.171 0.000 1.176 173 A CA 2.202 54.156 52.037 -0.139 0.000 0.631 173 A CB -0.958 17.986 19.000 -0.093 0.000 0.814 173 A HN 0.342 nan 8.150 nan 0.000 0.446 174 T N -0.050 114.373 114.554 -0.218 0.000 2.701 174 T HA -0.111 4.239 4.350 0.000 0.000 0.263 174 T C 1.838 176.275 174.700 -0.438 0.000 1.040 174 T CA 1.401 63.294 62.100 -0.346 0.000 1.147 174 T CB -0.408 68.197 68.868 -0.438 0.000 0.865 174 T HN 0.294 nan 8.240 nan 0.000 0.426 175 L N 1.322 122.298 121.223 -0.413 0.000 2.042 175 L HA -0.087 4.253 4.340 0.000 0.000 0.210 175 L C 2.458 179.245 176.870 -0.139 0.000 1.076 175 L CA 1.891 56.517 54.840 -0.356 0.000 0.749 175 L CB -1.345 40.258 42.059 -0.761 0.000 0.893 175 L HN 0.212 nan 8.230 nan 0.000 0.432 176 T N 0.395 114.849 114.554 -0.166 0.000 2.777 176 T HA -0.179 4.171 4.350 0.000 0.000 0.266 176 T C 1.813 176.480 174.700 -0.056 0.000 1.040 176 T CA 1.646 63.709 62.100 -0.061 0.000 1.141 176 T CB -0.241 68.565 68.868 -0.102 0.000 0.868 176 T HN 0.549 nan 8.240 nan 0.000 0.444 177 R N 0.041 120.442 120.500 -0.165 0.000 2.115 177 R HA 0.048 4.388 4.340 0.000 0.000 0.226 177 R C 1.858 177.831 176.300 -0.545 0.000 1.100 177 R CA 1.051 56.889 56.100 -0.437 0.000 0.980 177 R CB -0.782 29.231 30.300 -0.479 0.000 0.875 177 R HN 0.230 nan 8.270 nan 0.000 0.445 178 F N 1.029 120.774 119.950 -0.341 0.000 2.216 178 F HA -0.081 4.446 4.527 0.000 0.000 0.300 178 F C 2.088 177.932 175.800 0.073 0.000 1.085 178 F CA 0.243 58.188 58.000 -0.091 0.000 1.326 178 F CB -0.736 38.269 39.000 0.008 0.000 1.027 178 F HN -0.035 nan 8.300 nan 0.000 0.497 179 F N 0.822 120.845 119.950 0.122 0.000 2.134 179 F HA -0.103 4.424 4.527 0.000 0.000 0.299 179 F C 2.278 178.187 175.800 0.182 0.000 1.097 179 F CA 1.170 59.276 58.000 0.176 0.000 1.264 179 F CB -1.002 38.133 39.000 0.225 0.000 1.001 179 F HN -0.084 nan 8.300 nan 0.000 0.479 180 A N 0.124 122.883 122.820 -0.101 0.000 1.902 180 A HA -0.149 4.171 4.320 0.000 0.000 0.217 180 A C 2.118 179.716 177.584 0.023 0.000 1.181 180 A CA 1.698 53.601 52.037 -0.223 0.000 0.623 180 A CB -1.418 17.413 19.000 -0.281 0.000 0.818 180 A HN 0.364 nan 8.150 nan 0.000 0.443 181 F N -0.551 119.438 119.950 0.066 0.000 2.146 181 F HA -0.086 4.441 4.527 0.000 0.000 0.298 181 F C 2.246 178.092 175.800 0.075 0.000 1.096 181 F CA 1.299 59.321 58.000 0.036 0.000 1.275 181 F CB -1.466 37.505 39.000 -0.048 0.000 1.008 181 F HN 0.501 nan 8.300 nan 0.000 0.480 182 H N -0.974 118.219 119.070 0.204 0.000 2.421 182 H HA -0.180 4.376 4.556 0.000 0.000 0.298 182 H C 2.073 177.494 175.328 0.154 0.000 1.087 182 H CA 1.428 57.561 56.048 0.141 0.000 1.330 182 H CB -0.453 29.395 29.762 0.143 0.000 1.388 182 H HN 0.113 nan 8.280 nan 0.000 0.526 183 F N -0.292 119.641 119.950 -0.029 0.000 2.113 183 F HA -0.080 4.447 4.527 0.000 0.000 0.297 183 F C 2.211 178.053 175.800 0.071 0.000 1.103 183 F CA 1.131 59.083 58.000 -0.080 0.000 1.248 183 F CB -0.471 38.359 39.000 -0.283 0.000 0.999 183 F HN 0.280 nan 8.300 nan 0.000 0.475 184 I N -0.701 120.117 120.570 0.415 0.000 2.584 184 I HA -0.090 4.080 4.170 0.000 0.000 0.255 184 I C 2.027 178.302 176.117 0.263 0.000 1.145 184 I CA 0.753 62.284 61.300 0.385 0.000 1.462 184 I CB -0.762 37.369 38.000 0.218 0.000 1.102 184 I HN 0.097 nan 8.210 nan 0.000 0.433 185 L N 1.850 123.150 121.223 0.129 0.000 2.051 185 L HA -0.141 4.199 4.340 0.000 0.000 0.214 185 L C -0.551 176.299 176.870 -0.033 0.000 1.076 185 L CA 2.412 57.274 54.840 0.037 0.000 0.758 185 L CB -1.997 40.065 42.059 0.006 0.000 0.890 185 L HN 0.155 nan 8.230 nan 0.000 0.433 186 P HA -0.149 nan 4.420 nan 0.000 0.218 186 P C 1.475 178.581 177.300 -0.324 0.000 1.149 186 P CA 1.435 64.358 63.100 -0.296 0.000 0.817 186 P CB -0.089 31.319 31.700 -0.486 0.000 0.785 187 F N -1.544 118.397 119.950 -0.014 0.000 2.293 187 F HA 0.009 4.536 4.527 0.000 0.000 0.297 187 F C 2.179 177.982 175.800 0.004 0.000 1.089 187 F CA 0.828 58.831 58.000 0.004 0.000 1.377 187 F CB -0.947 38.069 39.000 0.026 0.000 1.051 187 F HN -0.167 nan 8.300 nan 0.000 0.511 188 I N -0.346 120.308 120.570 0.141 0.000 2.353 188 I HA -0.257 3.913 4.170 0.000 0.000 0.248 188 I C 2.235 178.370 176.117 0.031 0.000 1.119 188 I CA 1.136 62.485 61.300 0.081 0.000 1.417 188 I CB -0.339 37.697 38.000 0.058 0.000 1.078 188 I HN 0.066 nan 8.210 nan 0.000 0.421 189 I N 0.230 120.794 120.570 -0.010 0.000 2.226 189 I HA -0.345 3.825 4.170 0.000 0.000 0.245 189 I C 2.647 178.753 176.117 -0.019 0.000 1.100 189 I CA 1.523 62.800 61.300 -0.037 0.000 1.374 189 I CB -0.217 37.736 38.000 -0.077 0.000 1.057 189 I HN 0.309 nan 8.210 nan 0.000 0.413 190 M N 0.653 120.244 119.600 -0.015 0.000 2.117 190 M HA -0.205 4.275 4.480 0.000 0.000 0.262 190 M C 2.345 178.663 176.300 0.031 0.000 1.065 190 M CA 2.171 57.472 55.300 0.003 0.000 1.114 190 M CB -0.099 32.508 32.600 0.011 0.000 1.361 190 M HN 0.237 nan 8.290 nan 0.000 0.408 191 A N 0.483 123.332 122.820 0.049 0.000 1.930 191 A HA -0.075 4.245 4.320 0.000 0.000 0.217 191 A C 1.952 179.563 177.584 0.046 0.000 1.175 191 A CA 1.391 53.458 52.037 0.050 0.000 0.627 191 A CB -0.889 18.145 19.000 0.058 0.000 0.815 191 A HN 0.624 nan 8.150 nan 0.000 0.443 192 I N -0.306 120.287 120.570 0.038 0.000 2.315 192 I HA -0.230 3.940 4.170 0.000 0.000 0.248 192 I C 2.886 179.038 176.117 0.059 0.000 1.117 192 I CA 0.935 62.261 61.300 0.042 0.000 1.404 192 I CB -0.266 37.740 38.000 0.010 0.000 1.071 192 I HN 0.347 nan 8.210 nan 0.000 0.419 193 A N 0.586 123.426 122.820 0.035 0.000 1.969 193 A HA -0.172 4.148 4.320 0.000 0.000 0.218 193 A C 2.341 179.986 177.584 0.103 0.000 1.169 193 A CA 1.354 53.429 52.037 0.062 0.000 0.635 193 A CB -0.484 18.528 19.000 0.020 0.000 0.810 193 A HN 0.332 nan 8.150 nan 0.000 0.445 194 M N -0.798 118.835 119.600 0.054 0.000 2.175 194 M HA -0.105 4.375 4.480 0.000 0.000 0.264 194 M C 1.995 178.307 176.300 0.020 0.000 1.063 194 M CA 1.127 56.438 55.300 0.018 0.000 1.119 194 M CB -0.308 32.296 32.600 0.006 0.000 1.377 194 M HN 0.250 nan 8.290 nan 0.000 0.415 195 V N -0.653 119.307 119.914 0.077 0.000 2.427 195 V HA -0.267 3.853 4.120 0.000 0.000 0.248 195 V C 2.228 178.465 176.094 0.239 0.000 1.051 195 V CA 2.109 64.483 62.300 0.123 0.000 1.048 195 V CB -0.995 30.940 31.823 0.187 0.000 0.666 195 V HN 0.463 nan 8.190 nan 0.000 0.456 196 H N 0.352 119.493 119.070 0.118 0.000 2.319 196 H HA -0.185 4.371 4.556 0.000 0.000 0.297 196 H C 2.042 177.420 175.328 0.084 0.000 1.097 196 H CA 2.166 58.292 56.048 0.130 0.000 1.285 196 H CB -0.289 29.523 29.762 0.082 0.000 1.368 196 H HN 0.320 nan 8.280 nan 0.000 0.495 197 L N -0.440 120.775 121.223 -0.012 0.000 2.093 197 L HA -0.135 4.205 4.340 0.000 0.000 0.208 197 L C 2.541 179.141 176.870 -0.450 0.000 1.085 197 L CA 0.730 55.408 54.840 -0.270 0.000 0.755 197 L CB -0.274 41.612 42.059 -0.289 0.000 0.904 197 L HN 0.333 nan 8.230 nan 0.000 0.435 198 L N -1.549 119.497 121.223 -0.294 0.000 2.046 198 L HA -0.228 4.112 4.340 0.000 0.000 0.208 198 L C 2.494 179.196 176.870 -0.280 0.000 1.077 198 L CA 1.374 56.019 54.840 -0.324 0.000 0.747 198 L CB -0.481 41.399 42.059 -0.299 0.000 0.896 198 L HN 0.161 nan 8.230 nan 0.000 0.432 199 F N -0.416 119.466 119.950 -0.114 0.000 2.186 199 F HA -0.214 4.313 4.527 0.000 0.000 0.299 199 F C 2.262 177.970 175.800 -0.154 0.000 1.090 199 F CA 1.075 59.022 58.000 -0.088 0.000 1.307 199 F CB -0.442 38.536 39.000 -0.037 0.000 1.019 199 F HN -0.028 nan 8.300 nan 0.000 0.489 200 L N -0.227 120.973 121.223 -0.038 0.000 2.046 200 L HA -0.237 4.103 4.340 0.000 0.000 0.208 200 L C 2.272 179.107 176.870 -0.058 0.000 1.077 200 L CA 2.066 56.819 54.840 -0.144 0.000 0.747 200 L CB -1.005 40.981 42.059 -0.121 0.000 0.896 200 L HN 0.237 nan 8.230 nan 0.000 0.432 201 H N -1.191 117.802 119.070 -0.128 0.000 2.518 201 H HA -0.100 4.456 4.556 0.000 0.000 0.289 201 H C 1.665 176.924 175.328 -0.115 0.000 1.051 201 H CA 0.574 56.555 56.048 -0.112 0.000 1.280 201 H CB 0.366 30.069 29.762 -0.097 0.000 1.380 201 H HN 0.414 nan 8.280 nan 0.000 0.566 202 E N -0.017 120.179 120.200 -0.007 0.000 2.150 202 E HA -0.098 4.252 4.350 0.000 0.000 0.193 202 E C 2.306 178.866 176.600 -0.067 0.000 0.985 202 E CA 1.602 57.982 56.400 -0.035 0.000 0.814 202 E CB -0.088 29.599 29.700 -0.022 0.000 0.752 202 E HN 0.633 nan 8.360 nan 0.000 0.466 203 T N -3.321 111.131 114.554 -0.169 0.000 3.000 203 T HA 0.410 4.760 4.350 0.000 0.000 0.248 203 T C 1.060 175.671 174.700 -0.150 0.000 1.034 203 T CA 0.480 62.451 62.100 -0.215 0.000 1.060 203 T CB 0.620 69.159 68.868 -0.549 0.000 0.983 203 T HN 0.279 nan 8.240 nan 0.000 0.482 204 G N 1.103 109.815 108.800 -0.148 0.000 2.757 204 G HA2 -0.040 3.921 3.960 0.000 0.000 0.638 204 G HA3 -0.040 3.921 3.960 0.000 0.000 0.638 204 G C -0.425 174.488 174.900 0.020 0.000 1.344 204 G CA -0.505 44.576 45.100 -0.032 0.000 0.855 204 G HN 0.644 nan 8.290 nan 0.000 0.537 205 S N -0.058 115.728 115.700 0.143 0.000 2.617 205 S HA 0.525 4.995 4.470 0.000 0.000 0.269 205 S C 0.764 175.588 174.600 0.374 0.000 1.292 205 S CA -0.001 58.392 58.200 0.322 0.000 1.010 205 S CB 1.427 64.789 63.200 0.270 0.000 0.944 205 S HN 0.981 nan 8.310 nan 0.000 0.536 206 N N 0.968 119.986 118.700 0.531 0.000 2.405 206 N HA 0.390 5.130 4.740 0.000 0.000 0.269 206 N C -0.590 174.996 175.510 0.127 0.000 1.249 206 N CA -0.519 52.715 53.050 0.307 0.000 0.974 206 N CB 0.452 39.056 38.487 0.195 0.000 1.204 206 N HN 0.847 nan 8.380 nan 0.000 0.565 207 N N -2.151 116.514 118.700 -0.058 0.000 2.647 207 N HA 0.496 5.236 4.740 0.000 0.000 0.266 207 N C -2.623 172.670 175.510 -0.361 0.000 1.373 207 N CA -1.240 51.484 53.050 -0.544 0.000 0.807 207 N CB 1.642 39.883 38.487 -0.410 0.000 1.513 207 N HN 0.156 nan 8.380 nan 0.000 0.505 208 P HA -0.221 nan 4.420 nan 0.000 0.217 208 P C 0.965 178.284 177.300 0.032 0.000 1.148 208 P CA 2.166 65.110 63.100 -0.260 0.000 0.834 208 P CB -0.075 31.511 31.700 -0.191 0.000 0.783 209 T N -5.657 108.866 114.554 -0.052 0.000 3.023 209 T HA 0.172 4.523 4.350 0.000 0.000 0.266 209 T C 1.705 176.413 174.700 0.014 0.000 1.093 209 T CA 0.865 62.934 62.100 -0.051 0.000 1.129 209 T CB -1.036 67.894 68.868 0.103 0.000 0.899 209 T HN 0.245 nan 8.240 nan 0.000 0.491 210 G N 1.232 110.052 108.800 0.034 0.000 2.184 210 G HA2 -0.216 3.744 3.960 0.000 0.000 0.264 210 G HA3 -0.216 3.744 3.960 0.000 0.000 0.264 210 G C 0.027 174.950 174.900 0.038 0.000 0.975 210 G CA 0.266 45.381 45.100 0.025 0.000 0.642 210 G HN 0.672 nan 8.290 nan 0.000 0.536 211 I N 1.366 121.977 120.570 0.070 0.000 2.392 211 I HA 0.437 4.607 4.170 0.000 0.000 0.295 211 I C 1.171 177.316 176.117 0.046 0.000 0.985 211 I CA -0.598 60.749 61.300 0.078 0.000 1.221 211 I CB 1.760 39.833 38.000 0.121 0.000 1.366 211 I HN 0.141 nan 8.210 nan 0.000 0.467 212 S N 3.213 118.940 115.700 0.045 0.000 2.573 212 S HA -0.043 4.427 4.470 0.000 0.000 0.297 212 S C 0.991 175.611 174.600 0.033 0.000 1.280 212 S CA 0.006 58.233 58.200 0.044 0.000 1.061 212 S CB 0.326 63.553 63.200 0.046 0.000 0.812 212 S HN 0.759 nan 8.310 nan 0.000 0.500 213 S N 2.629 118.344 115.700 0.026 0.000 2.575 213 S HA 0.210 4.680 4.470 0.000 0.000 0.237 213 S C 0.596 175.203 174.600 0.012 0.000 0.975 213 S CA -0.472 57.733 58.200 0.007 0.000 0.960 213 S CB 0.204 63.393 63.200 -0.020 0.000 0.822 213 S HN 0.713 nan 8.310 nan 0.000 0.472 214 D N 2.449 122.863 120.400 0.023 0.000 2.218 214 D HA -0.087 4.553 4.640 0.000 0.000 0.204 214 D C 2.065 178.374 176.300 0.014 0.000 0.976 214 D CA 1.344 55.357 54.000 0.021 0.000 0.853 214 D CB -0.120 40.695 40.800 0.025 0.000 0.939 214 D HN 0.570 nan 8.370 nan 0.000 0.481 215 V N -1.738 118.183 119.914 0.012 0.000 3.461 215 V HA 0.040 4.161 4.120 0.000 0.000 0.267 215 V C 0.338 176.432 176.094 0.000 0.000 1.186 215 V CA 0.713 63.017 62.300 0.008 0.000 1.154 215 V CB -0.008 31.820 31.823 0.009 0.000 0.802 215 V HN -0.159 nan 8.190 nan 0.000 0.474 216 D N 0.490 120.887 120.400 -0.004 0.000 2.846 216 D HA 0.257 4.897 4.640 0.000 0.000 0.279 216 D C -0.329 175.960 176.300 -0.018 0.000 1.222 216 D CA -0.265 53.725 54.000 -0.016 0.000 0.769 216 D CB 0.387 41.172 40.800 -0.025 0.000 1.299 216 D HN 0.179 nan 8.370 nan 0.000 0.537 217 K N 0.922 121.320 120.400 -0.003 0.000 2.098 217 K HA 0.613 4.933 4.320 0.000 0.000 0.258 217 K C 0.461 177.070 176.600 0.014 0.000 0.973 217 K CA -0.684 55.612 56.287 0.014 0.000 0.898 217 K CB 1.818 34.336 32.500 0.029 0.000 1.057 217 K HN 0.470 nan 8.250 nan 0.000 0.447 218 I N -1.469 119.126 120.570 0.042 0.000 2.934 218 I HA 0.556 4.726 4.170 0.000 0.000 0.306 218 I C -2.604 173.613 176.117 0.166 0.000 1.110 218 I CA -2.823 58.505 61.300 0.047 0.000 1.019 218 I CB 2.538 40.453 38.000 -0.142 0.000 1.227 218 I HN 0.253 nan 8.210 nan 0.000 0.434 219 P HA 0.066 nan 4.420 nan 0.000 0.275 219 P C 0.307 177.803 177.300 0.326 0.000 1.227 219 P CA -0.026 63.219 63.100 0.242 0.000 0.781 219 P CB 1.006 32.817 31.700 0.185 0.000 0.906 220 F N 2.612 122.700 119.950 0.229 0.000 2.154 220 F HA -0.185 4.342 4.527 0.000 0.000 0.301 220 F C 1.220 177.168 175.800 0.246 0.000 1.087 220 F CA 1.566 59.748 58.000 0.303 0.000 1.274 220 F CB -0.309 38.814 39.000 0.205 0.000 1.009 220 F HN 0.411 nan 8.300 nan 0.000 0.485 221 H N 1.019 120.235 119.070 0.243 0.000 2.459 221 H HA 0.288 4.844 4.556 0.000 0.000 0.332 221 H C -1.865 173.408 175.328 -0.093 0.000 1.094 221 H CA -2.636 53.449 56.048 0.062 0.000 1.224 221 H CB 1.516 31.351 29.762 0.121 0.000 1.449 221 H HN -0.143 nan 8.280 nan 0.000 0.484 222 P HA -0.053 nan 4.420 nan 0.000 0.257 222 P C 0.450 177.375 177.300 -0.626 0.000 1.241 222 P CA 0.457 62.991 63.100 -0.944 0.000 0.816 222 P CB 0.341 31.463 31.700 -0.964 0.000 1.150 223 Y N -0.176 119.875 120.300 -0.415 0.000 2.097 223 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 223 Y C 2.248 177.696 175.900 -0.754 0.000 1.152 223 Y CA 1.743 59.495 58.100 -0.580 0.000 1.136 223 Y CB -1.665 36.376 38.460 -0.699 0.000 0.975 223 Y HN -0.069 nan 8.280 nan 0.000 0.498 224 Y N -0.657 119.419 120.300 -0.374 0.000 2.517 224 Y HA -0.049 4.501 4.550 0.000 0.000 0.281 224 Y C 2.561 178.121 175.900 -0.567 0.000 1.125 224 Y CA 0.806 58.539 58.100 -0.611 0.000 1.283 224 Y CB -0.960 36.877 38.460 -1.037 0.000 1.042 224 Y HN 0.238 nan 8.280 nan 0.000 0.547 225 T N -1.748 112.607 114.554 -0.332 0.000 2.737 225 T HA -0.196 4.154 4.350 0.000 0.000 0.265 225 T C 1.935 176.642 174.700 0.010 0.000 1.038 225 T CA 1.363 63.491 62.100 0.047 0.000 1.144 225 T CB -0.661 68.395 68.868 0.314 0.000 0.866 225 T HN 0.194 nan 8.240 nan 0.000 0.434 226 I N 1.303 121.829 120.570 -0.074 0.000 2.439 226 I HA 0.131 4.301 4.170 0.000 0.000 0.251 226 I C 2.423 178.507 176.117 -0.055 0.000 1.139 226 I CA 1.083 62.344 61.300 -0.065 0.000 1.438 226 I CB -0.473 37.461 38.000 -0.110 0.000 1.085 226 I HN 0.183 nan 8.210 nan 0.000 0.427 227 K N 0.084 120.440 120.400 -0.074 0.000 2.097 227 K HA -0.177 4.143 4.320 0.000 0.000 0.205 227 K C 1.603 178.208 176.600 0.008 0.000 1.050 227 K CA 1.618 57.888 56.287 -0.030 0.000 0.938 227 K CB -0.056 32.443 32.500 -0.002 0.000 0.718 227 K HN 0.269 nan 8.250 nan 0.000 0.442 228 D N 0.579 121.001 120.400 0.037 0.000 2.178 228 D HA -0.094 4.547 4.640 0.000 0.000 0.202 228 D C 1.731 178.047 176.300 0.027 0.000 0.974 228 D CA 0.840 54.877 54.000 0.061 0.000 0.841 228 D CB 0.042 40.933 40.800 0.151 0.000 0.953 228 D HN 0.237 nan 8.370 nan 0.000 0.478 229 I N 0.155 120.739 120.570 0.022 0.000 2.315 229 I HA -0.205 3.965 4.170 0.000 0.000 0.248 229 I C 2.138 178.248 176.117 -0.012 0.000 1.117 229 I CA 0.399 61.704 61.300 0.009 0.000 1.404 229 I CB 0.035 38.041 38.000 0.010 0.000 1.071 229 I HN 0.027 nan 8.210 nan 0.000 0.419 230 L N 0.890 122.102 121.223 -0.020 0.000 2.056 230 L HA -0.030 4.310 4.340 0.000 0.000 0.207 230 L C 2.299 179.144 176.870 -0.041 0.000 1.078 230 L CA 2.094 56.917 54.840 -0.029 0.000 0.749 230 L CB -1.197 40.842 42.059 -0.034 0.000 0.901 230 L HN 0.163 nan 8.230 nan 0.000 0.433 231 G N -1.061 107.708 108.800 -0.051 0.000 2.418 231 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 231 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 231 G C 1.609 176.462 174.900 -0.077 0.000 1.158 231 G CA 0.742 45.789 45.100 -0.089 0.000 0.771 231 G HN 0.619 nan 8.290 nan 0.000 0.545 232 A N 0.569 123.359 122.820 -0.050 0.000 1.933 232 A HA 0.076 4.396 4.320 0.000 0.000 0.218 232 A C 2.422 179.985 177.584 -0.034 0.000 1.175 232 A CA 1.217 53.229 52.037 -0.042 0.000 0.628 232 A CB -0.397 18.587 19.000 -0.025 0.000 0.814 232 A HN 0.360 nan 8.150 nan 0.000 0.444 233 L N -0.804 120.403 121.223 -0.028 0.000 2.046 233 L HA -0.169 4.171 4.340 0.000 0.000 0.208 233 L C 2.527 179.388 176.870 -0.015 0.000 1.077 233 L CA 1.065 55.893 54.840 -0.019 0.000 0.747 233 L CB -0.449 41.600 42.059 -0.016 0.000 0.896 233 L HN 0.395 nan 8.230 nan 0.000 0.432 234 L N -0.895 120.314 121.223 -0.024 0.000 2.093 234 L HA -0.222 4.118 4.340 0.000 0.000 0.208 234 L C 2.495 179.364 176.870 -0.002 0.000 1.085 234 L CA 0.575 55.406 54.840 -0.015 0.000 0.755 234 L CB -0.380 41.660 42.059 -0.032 0.000 0.904 234 L HN 0.256 nan 8.230 nan 0.000 0.435 235 L N 0.141 121.355 121.223 -0.016 0.000 2.056 235 L HA -0.174 4.166 4.340 0.000 0.000 0.207 235 L C 2.291 179.166 176.870 0.010 0.000 1.078 235 L CA 1.745 56.585 54.840 0.001 0.000 0.749 235 L CB -0.304 41.740 42.059 -0.025 0.000 0.901 235 L HN 0.082 nan 8.230 nan 0.000 0.433 236 I N -1.015 119.553 120.570 -0.003 0.000 2.286 236 I HA -0.260 3.910 4.170 0.000 0.000 0.248 236 I C 2.324 178.452 176.117 0.018 0.000 1.115 236 I CA 1.038 62.338 61.300 -0.000 0.000 1.392 236 I CB -0.309 37.684 38.000 -0.013 0.000 1.065 236 I HN 0.360 nan 8.210 nan 0.000 0.418 237 L N 1.170 122.407 121.223 0.023 0.000 2.017 237 L HA -0.130 4.210 4.340 0.000 0.000 0.208 237 L C 2.566 179.473 176.870 0.061 0.000 1.073 237 L CA 2.162 57.027 54.840 0.042 0.000 0.745 237 L CB -0.744 41.339 42.059 0.039 0.000 0.894 237 L HN 0.162 nan 8.230 nan 0.000 0.432 238 A N -0.526 122.329 122.820 0.059 0.000 1.902 238 A HA -0.198 4.122 4.320 0.000 0.000 0.217 238 A C 2.253 179.887 177.584 0.083 0.000 1.181 238 A CA 1.965 54.047 52.037 0.075 0.000 0.623 238 A CB -1.071 17.977 19.000 0.079 0.000 0.818 238 A HN 0.520 nan 8.150 nan 0.000 0.443 239 L N -0.991 120.274 121.223 0.070 0.000 1.994 239 L HA -0.131 4.209 4.340 0.000 0.000 0.208 239 L C 2.199 179.112 176.870 0.071 0.000 1.071 239 L CA 2.126 57.010 54.840 0.073 0.000 0.745 239 L CB -0.470 41.618 42.059 0.048 0.000 0.892 239 L HN 0.289 nan 8.230 nan 0.000 0.431 240 M N -1.071 118.559 119.600 0.050 0.000 2.394 240 M HA -0.068 4.412 4.480 0.000 0.000 0.264 240 M C 2.243 178.563 176.300 0.033 0.000 1.073 240 M CA 1.199 56.516 55.300 0.028 0.000 1.111 240 M CB -1.191 31.412 32.600 0.004 0.000 1.401 240 M HN 0.293 nan 8.290 nan 0.000 0.448 241 L N -0.685 120.601 121.223 0.105 0.000 2.093 241 L HA -0.174 4.166 4.340 0.000 0.000 0.208 241 L C 2.306 179.288 176.870 0.186 0.000 1.085 241 L CA 0.839 55.809 54.840 0.218 0.000 0.755 241 L CB -0.459 41.727 42.059 0.211 0.000 0.904 241 L HN 0.238 nan 8.230 nan 0.000 0.435 242 L N -1.324 119.977 121.223 0.131 0.000 2.023 242 L HA -0.169 4.171 4.340 0.000 0.000 0.205 242 L C 2.493 179.429 176.870 0.109 0.000 1.073 242 L CA 0.837 55.753 54.840 0.126 0.000 0.745 242 L CB -0.515 41.622 42.059 0.129 0.000 0.900 242 L HN 0.017 nan 8.230 nan 0.000 0.435 243 V N 0.214 120.190 119.914 0.103 0.000 2.295 243 V HA -0.277 3.843 4.120 0.000 0.000 0.246 243 V C 2.232 178.364 176.094 0.063 0.000 1.049 243 V CA 1.740 64.114 62.300 0.123 0.000 1.024 243 V CB -0.387 31.518 31.823 0.138 0.000 0.648 243 V HN 0.360 nan 8.190 nan 0.000 0.447 244 L N -2.259 118.922 121.223 -0.070 0.000 2.375 244 L HA 0.106 4.446 4.340 0.000 0.000 0.215 244 L C 1.951 178.571 176.870 -0.416 0.000 1.108 244 L CA 0.893 55.567 54.840 -0.276 0.000 0.830 244 L CB -0.197 41.550 42.059 -0.521 0.000 0.959 244 L HN 0.269 nan 8.230 nan 0.000 0.457 245 F N -0.379 119.597 119.950 0.043 0.000 2.712 245 F HA 0.395 4.922 4.527 0.000 0.000 0.297 245 F C 1.004 176.805 175.800 0.000 0.000 1.114 245 F CA -0.289 57.720 58.000 0.015 0.000 1.305 245 F CB 0.343 39.354 39.000 0.018 0.000 1.086 245 F HN -0.130 nan 8.300 nan 0.000 0.599 246 A N 0.633 123.547 122.820 0.156 0.000 3.464 246 A HA 0.374 4.694 4.320 0.000 0.000 0.243 246 A C -1.955 175.667 177.584 0.063 0.000 1.100 246 A CA -0.522 51.570 52.037 0.092 0.000 0.957 246 A CB -0.300 18.760 19.000 0.100 0.000 1.340 246 A HN -0.060 nan 8.150 nan 0.000 0.645 247 P HA -0.118 nan 4.420 nan 0.000 0.222 247 P C 0.113 177.453 177.300 0.067 0.000 1.147 247 P CA 1.257 64.345 63.100 -0.020 0.000 0.790 247 P CB 0.361 31.860 31.700 -0.335 0.000 0.780 248 D N -1.175 119.260 120.400 0.059 0.000 2.369 248 D HA 0.039 4.679 4.640 0.000 0.000 0.211 248 D C 1.820 178.210 176.300 0.149 0.000 1.077 248 D CA -0.154 53.943 54.000 0.162 0.000 0.842 248 D CB -0.219 40.676 40.800 0.159 0.000 0.947 248 D HN 0.039 nan 8.370 nan 0.000 0.509 249 L N 0.615 121.902 121.223 0.108 0.000 2.013 249 L HA -0.141 4.199 4.340 0.000 0.000 0.212 249 L C 1.636 178.561 176.870 0.093 0.000 1.073 249 L CA 1.744 56.634 54.840 0.084 0.000 0.753 249 L CB -0.287 41.807 42.059 0.058 0.000 0.890 249 L HN 0.002 nan 8.230 nan 0.000 0.432 250 L N -0.803 120.498 121.223 0.130 0.000 2.629 250 L HA 0.279 4.619 4.340 0.000 0.000 0.230 250 L C 1.092 178.106 176.870 0.240 0.000 1.151 250 L CA -0.039 54.904 54.840 0.171 0.000 0.924 250 L CB -0.881 41.311 42.059 0.220 0.000 1.137 250 L HN 0.338 nan 8.230 nan 0.000 0.457 251 G N -1.145 107.784 108.800 0.215 0.000 2.613 251 G HA2 0.263 4.223 3.960 0.000 0.000 0.303 251 G HA3 0.263 4.223 3.960 0.000 0.000 0.303 251 G C -1.476 173.550 174.900 0.210 0.000 1.312 251 G CA -0.216 45.021 45.100 0.228 0.000 1.036 251 G HN -0.050 nan 8.290 nan 0.000 0.513 252 D N -0.808 119.735 120.400 0.240 0.000 2.492 252 D HA 0.358 4.998 4.640 0.000 0.000 0.248 252 D C -1.664 174.795 176.300 0.265 0.000 1.101 252 D CA -1.698 52.436 54.000 0.223 0.000 0.840 252 D CB 2.417 43.349 40.800 0.221 0.000 1.209 252 D HN -0.089 nan 8.370 nan 0.000 0.524 253 P HA -0.102 nan 4.420 nan 0.000 0.217 253 P C 0.646 178.129 177.300 0.305 0.000 1.148 253 P CA 0.772 64.066 63.100 0.322 0.000 0.828 253 P CB 0.408 32.229 31.700 0.202 0.000 0.783 254 D N -1.477 119.053 120.400 0.217 0.000 2.309 254 D HA -0.109 4.531 4.640 0.000 0.000 0.212 254 D C 1.316 177.716 176.300 0.168 0.000 0.968 254 D CA 0.864 54.973 54.000 0.181 0.000 0.882 254 D CB -0.657 40.233 40.800 0.151 0.000 0.918 254 D HN 0.129 nan 8.370 nan 0.000 0.503 255 N N -0.660 118.124 118.700 0.140 0.000 2.383 255 N HA -0.060 4.680 4.740 0.000 0.000 0.192 255 N C 0.245 175.781 175.510 0.042 0.000 1.141 255 N CA 0.123 53.192 53.050 0.031 0.000 0.851 255 N CB -0.058 38.365 38.487 -0.106 0.000 0.976 255 N HN 0.158 nan 8.380 nan 0.000 0.465 256 Y N -0.903 119.535 120.300 0.230 0.000 2.468 256 Y HA 0.280 4.830 4.550 0.000 0.000 0.268 256 Y C 0.191 176.301 175.900 0.351 0.000 1.177 256 Y CA 0.137 58.419 58.100 0.304 0.000 1.265 256 Y CB 0.478 39.065 38.460 0.211 0.000 1.103 256 Y HN -0.186 nan 8.280 nan 0.000 0.522 257 T N 2.335 117.082 114.554 0.321 0.000 2.770 257 T HA 0.316 4.667 4.350 0.000 0.000 0.283 257 T C -2.638 172.028 174.700 -0.057 0.000 0.988 257 T CA -1.779 60.382 62.100 0.102 0.000 0.957 257 T CB 1.621 70.537 68.868 0.080 0.000 0.930 257 T HN -0.209 nan 8.240 nan 0.000 0.443 258 P HA 0.196 nan 4.420 nan 0.000 0.268 258 P C -0.546 176.593 177.300 -0.268 0.000 1.208 258 P CA -0.363 62.424 63.100 -0.521 0.000 0.777 258 P CB 0.353 31.621 31.700 -0.720 0.000 0.875 259 A N 2.573 125.212 122.820 -0.302 0.000 2.567 259 A HA 0.079 4.399 4.320 0.000 0.000 0.240 259 A C 0.487 177.777 177.584 -0.489 0.000 1.053 259 A CA 0.590 52.314 52.037 -0.521 0.000 0.755 259 A CB -0.775 17.588 19.000 -1.061 0.000 0.978 259 A HN 0.568 nan 8.150 nan 0.000 0.507 260 N N 3.321 121.745 118.700 -0.460 0.000 2.576 260 N HA 0.313 5.053 4.740 0.000 0.000 0.269 260 N C -2.027 173.248 175.510 -0.391 0.000 1.058 260 N CA -2.153 50.702 53.050 -0.325 0.000 0.860 260 N CB 1.814 40.237 38.487 -0.107 0.000 1.249 260 N HN 0.265 nan 8.380 nan 0.000 0.525 261 P HA -0.058 nan 4.420 nan 0.000 0.228 261 P C 0.851 178.182 177.300 0.052 0.000 1.151 261 P CA 0.726 63.465 63.100 -0.601 0.000 0.770 261 P CB 0.617 31.985 31.700 -0.553 0.000 0.786 262 L N -1.673 119.573 121.223 0.039 0.000 2.585 262 L HA 0.235 4.575 4.340 0.000 0.000 0.226 262 L C 1.052 177.968 176.870 0.076 0.000 1.113 262 L CA 0.144 55.029 54.840 0.075 0.000 0.876 262 L CB -0.176 41.888 42.059 0.008 0.000 1.072 262 L HN 0.035 nan 8.230 nan 0.000 0.468 263 N N -0.279 118.498 118.700 0.128 0.000 2.519 263 N HA 0.152 4.892 4.740 0.000 0.000 0.291 263 N C -1.183 174.227 175.510 -0.167 0.000 1.107 263 N CA -0.165 52.868 53.050 -0.027 0.000 0.904 263 N CB 1.947 40.415 38.487 -0.031 0.000 1.500 263 N HN -0.253 nan 8.380 nan 0.000 0.510 264 T N 3.867 118.069 114.554 -0.587 0.000 2.743 264 T HA 0.329 4.679 4.350 0.000 0.000 0.293 264 T C -2.445 171.980 174.700 -0.458 0.000 0.945 264 T CA -0.821 60.672 62.100 -1.012 0.000 1.030 264 T CB 1.197 69.330 68.868 -1.225 0.000 0.912 264 T HN 0.386 nan 8.240 nan 0.000 0.483 265 P HA 0.035 nan 4.420 nan 0.000 0.263 265 P C -1.477 175.705 177.300 -0.198 0.000 1.175 265 P CA -1.043 61.968 63.100 -0.149 0.000 0.761 265 P CB 0.267 31.945 31.700 -0.035 0.000 0.794 266 P HA -0.162 nan 4.420 nan 0.000 0.219 266 P C 0.190 177.178 177.300 -0.520 0.000 1.146 266 P CA 1.746 64.606 63.100 -0.400 0.000 0.808 266 P CB 0.029 31.434 31.700 -0.493 0.000 0.779 267 H N -1.202 117.864 119.070 -0.007 0.000 2.467 267 H HA 0.328 4.884 4.556 0.000 0.000 0.275 267 H C 0.706 176.043 175.328 0.015 0.000 1.131 267 H CA -0.821 55.234 56.048 0.012 0.000 0.989 267 H CB -0.322 29.454 29.762 0.023 0.000 1.696 267 H HN 0.087 nan 8.280 nan 0.000 0.574 268 I N 3.052 123.649 120.570 0.045 0.000 2.826 268 I HA -0.083 4.087 4.170 0.000 0.000 0.295 268 I C -0.100 176.033 176.117 0.028 0.000 1.213 268 I CA 0.580 61.904 61.300 0.040 0.000 1.436 268 I CB -0.028 37.972 38.000 0.000 0.000 1.348 268 I HN 0.357 nan 8.210 nan 0.000 0.570 269 K N 6.593 126.983 120.400 -0.017 0.000 2.527 269 K HA 0.682 5.002 4.320 0.000 0.000 0.260 269 K C -2.999 173.480 176.600 -0.201 0.000 0.937 269 K CA -1.670 54.520 56.287 -0.162 0.000 0.826 269 K CB 1.340 33.798 32.500 -0.070 0.000 1.359 269 K HN 0.185 nan 8.250 nan 0.000 0.434 270 P HA 0.095 nan 4.420 nan 0.000 0.273 270 P C -0.994 176.127 177.300 -0.297 0.000 1.250 270 P CA -0.417 62.500 63.100 -0.306 0.000 0.793 270 P CB 0.350 31.799 31.700 -0.419 0.000 1.011 271 E N 0.557 120.475 120.200 -0.470 0.000 2.415 271 E HA -0.069 4.281 4.350 0.000 0.000 0.262 271 E C 1.134 177.231 176.600 -0.837 0.000 1.038 271 E CA 0.024 55.909 56.400 -0.858 0.000 0.921 271 E CB -0.071 28.668 29.700 -1.602 0.000 0.950 271 E HN 0.555 nan 8.360 nan 0.000 0.438 272 W N 3.738 124.676 121.300 -0.603 0.000 2.325 272 W HA -0.321 4.339 4.660 0.000 0.000 0.299 272 W C 0.854 177.227 176.519 -0.244 0.000 1.215 272 W CA 1.183 58.339 57.345 -0.316 0.000 1.244 272 W CB -0.878 28.502 29.460 -0.135 0.000 1.140 272 W HN 0.732 nan 8.180 nan 0.000 0.523 273 Y N -2.430 117.047 120.300 -1.372 0.000 2.632 273 Y HA 0.154 4.704 4.550 0.000 0.000 0.301 273 Y C 1.296 176.952 175.900 -0.405 0.000 1.172 273 Y CA -0.142 57.265 58.100 -1.156 0.000 1.328 273 Y CB -1.689 35.568 38.460 -2.005 0.000 1.016 273 Y HN -0.205 nan 8.280 nan 0.000 0.529 274 F N -0.492 119.204 119.950 -0.424 0.000 2.682 274 F HA 0.296 4.823 4.527 0.000 0.000 0.308 274 F C 1.574 177.205 175.800 -0.283 0.000 1.093 274 F CA -1.160 56.638 58.000 -0.336 0.000 1.244 274 F CB -0.437 38.341 39.000 -0.371 0.000 1.052 274 F HN 0.110 nan 8.300 nan 0.000 0.573 275 L N -0.230 121.011 121.223 0.029 0.000 2.042 275 L HA -0.266 4.074 4.340 0.000 0.000 0.210 275 L C 2.673 179.607 176.870 0.106 0.000 1.076 275 L CA 1.799 56.695 54.840 0.093 0.000 0.749 275 L CB -0.863 41.279 42.059 0.140 0.000 0.893 275 L HN 0.226 nan 8.230 nan 0.000 0.432 276 F N 0.070 120.041 119.950 0.035 0.000 2.134 276 F HA -0.125 4.402 4.527 0.000 0.000 0.299 276 F C 2.402 178.144 175.800 -0.096 0.000 1.097 276 F CA 0.983 58.946 58.000 -0.062 0.000 1.264 276 F CB -1.022 37.885 39.000 -0.154 0.000 1.001 276 F HN -0.073 nan 8.300 nan 0.000 0.479 277 A N -0.272 121.812 122.820 -1.226 0.000 1.929 277 A HA -0.135 4.185 4.320 0.000 0.000 0.216 277 A C 2.176 179.570 177.584 -0.317 0.000 1.176 277 A CA 1.268 52.788 52.037 -0.862 0.000 0.628 277 A CB -1.613 16.789 19.000 -0.997 0.000 0.816 277 A HN 0.672 nan 8.150 nan 0.000 0.444 278 Y N 0.671 120.768 120.300 -0.337 0.000 2.242 278 Y HA 0.003 4.553 4.550 0.000 0.000 0.291 278 Y C 2.472 178.288 175.900 -0.140 0.000 1.137 278 Y CA 0.955 58.938 58.100 -0.195 0.000 1.181 278 Y CB -0.438 37.938 38.460 -0.140 0.000 0.989 278 Y HN 0.287 nan 8.280 nan 0.000 0.527 279 A N 0.631 123.371 122.820 -0.132 0.000 1.898 279 A HA -0.134 4.186 4.320 0.000 0.000 0.216 279 A C 2.301 179.776 177.584 -0.181 0.000 1.181 279 A CA 1.870 53.787 52.037 -0.201 0.000 0.620 279 A CB -1.053 17.898 19.000 -0.081 0.000 0.819 279 A HN 0.566 nan 8.150 nan 0.000 0.442 280 I N -0.693 119.797 120.570 -0.133 0.000 2.142 280 I HA -0.247 3.923 4.170 0.000 0.000 0.240 280 I C 2.538 178.618 176.117 -0.063 0.000 1.078 280 I CA 1.557 62.820 61.300 -0.062 0.000 1.343 280 I CB -0.304 37.672 38.000 -0.039 0.000 1.046 280 I HN 0.455 nan 8.210 nan 0.000 0.405 281 L N 0.732 121.889 121.223 -0.111 0.000 2.017 281 L HA -0.216 4.124 4.340 0.000 0.000 0.208 281 L C 2.761 179.542 176.870 -0.148 0.000 1.073 281 L CA 1.628 56.406 54.840 -0.103 0.000 0.745 281 L CB -0.349 41.647 42.059 -0.105 0.000 0.894 281 L HN 0.094 nan 8.230 nan 0.000 0.432 282 R N -0.678 119.659 120.500 -0.271 0.000 2.193 282 R HA -0.099 4.241 4.340 0.000 0.000 0.229 282 R C 2.111 178.310 176.300 -0.168 0.000 1.110 282 R CA 1.306 57.233 56.100 -0.289 0.000 0.988 282 R CB -0.242 29.756 30.300 -0.503 0.000 0.871 282 R HN 0.434 nan 8.270 nan 0.000 0.458 283 S N 0.371 115.997 115.700 -0.123 0.000 2.522 283 S HA 0.075 4.545 4.470 0.000 0.000 0.227 283 S C 0.737 175.316 174.600 -0.035 0.000 0.986 283 S CA 0.469 58.630 58.200 -0.064 0.000 0.929 283 S CB 0.151 63.332 63.200 -0.031 0.000 0.769 283 S HN 0.146 nan 8.310 nan 0.000 0.529 284 I N 3.366 123.912 120.570 -0.039 0.000 2.328 284 I HA 0.231 4.401 4.170 0.000 0.000 0.287 284 I C -2.093 174.003 176.117 -0.034 0.000 1.012 284 I CA -2.146 59.138 61.300 -0.026 0.000 1.195 284 I CB 1.545 39.533 38.000 -0.019 0.000 1.350 284 I HN -0.130 nan 8.210 nan 0.000 0.464 285 P HA 0.043 nan 4.420 nan 0.000 0.228 285 P C -0.823 176.462 177.300 -0.024 0.000 1.748 285 P CA 0.238 63.322 63.100 -0.026 0.000 0.909 285 P CB -0.077 31.611 31.700 -0.020 0.000 1.882 286 N N 0.855 119.539 118.700 -0.028 0.000 2.406 286 N HA 0.069 4.809 4.740 0.000 0.000 0.283 286 N C 0.515 176.007 175.510 -0.030 0.000 1.074 286 N CA -0.377 52.656 53.050 -0.028 0.000 0.916 286 N CB 2.329 40.798 38.487 -0.030 0.000 1.639 286 N HN -0.186 nan 8.380 nan 0.000 0.485 287 K N 2.311 122.695 120.400 -0.028 0.000 1.969 287 K HA -0.139 4.181 4.320 0.000 0.000 0.216 287 K C 1.829 178.409 176.600 -0.033 0.000 1.048 287 K CA 1.492 57.762 56.287 -0.027 0.000 0.948 287 K CB -0.210 32.276 32.500 -0.023 0.000 0.726 287 K HN 0.458 nan 8.250 nan 0.000 0.442 288 L N 1.030 122.230 121.223 -0.039 0.000 2.079 288 L HA -0.057 4.283 4.340 0.000 0.000 0.210 288 L C 2.149 178.993 176.870 -0.044 0.000 1.081 288 L CA 2.375 57.188 54.840 -0.045 0.000 0.752 288 L CB -1.012 41.014 42.059 -0.054 0.000 0.896 288 L HN 0.415 nan 8.230 nan 0.000 0.433 289 G N -1.189 107.585 108.800 -0.043 0.000 2.422 289 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 289 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 289 G C 1.489 176.369 174.900 -0.033 0.000 1.146 289 G CA 0.565 45.639 45.100 -0.044 0.000 0.769 289 G HN 0.593 nan 8.290 nan 0.000 0.547 290 G N 0.215 108.997 108.800 -0.030 0.000 2.403 290 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 290 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 290 G C 1.745 176.633 174.900 -0.020 0.000 1.154 290 G CA 1.054 46.139 45.100 -0.026 0.000 0.784 290 G HN 0.307 nan 8.290 nan 0.000 0.538 291 V N 0.916 120.814 119.914 -0.026 0.000 2.358 291 V HA -0.093 4.027 4.120 0.000 0.000 0.246 291 V C 2.879 178.969 176.094 -0.007 0.000 1.047 291 V CA 1.255 63.540 62.300 -0.025 0.000 1.035 291 V CB -0.363 31.441 31.823 -0.033 0.000 0.658 291 V HN 0.323 nan 8.190 nan 0.000 0.452 292 L N -0.031 121.185 121.223 -0.012 0.000 2.056 292 L HA -0.122 4.218 4.340 0.000 0.000 0.207 292 L C 2.725 179.629 176.870 0.057 0.000 1.078 292 L CA 1.497 56.334 54.840 -0.005 0.000 0.749 292 L CB -0.753 41.271 42.059 -0.058 0.000 0.901 292 L HN 0.362 nan 8.230 nan 0.000 0.433 293 A N -0.022 122.831 122.820 0.054 0.000 1.933 293 A HA -0.218 4.102 4.320 0.000 0.000 0.218 293 A C 2.183 179.912 177.584 0.242 0.000 1.175 293 A CA 1.573 53.698 52.037 0.147 0.000 0.628 293 A CB -0.593 18.473 19.000 0.109 0.000 0.814 293 A HN 0.331 nan 8.150 nan 0.000 0.444 294 L N -0.106 121.182 121.223 0.108 0.000 1.994 294 L HA -0.053 4.287 4.340 0.000 0.000 0.208 294 L C 2.662 179.585 176.870 0.087 0.000 1.071 294 L CA 2.419 57.286 54.840 0.046 0.000 0.745 294 L CB -0.980 41.054 42.059 -0.041 0.000 0.892 294 L HN 0.320 nan 8.230 nan 0.000 0.431 295 A N -0.925 121.950 122.820 0.092 0.000 1.883 295 A HA -0.289 4.031 4.320 0.000 0.000 0.217 295 A C 2.283 180.011 177.584 0.241 0.000 1.186 295 A CA 2.095 54.200 52.037 0.115 0.000 0.624 295 A CB -1.290 17.761 19.000 0.085 0.000 0.822 295 A HN 0.562 nan 8.150 nan 0.000 0.444 296 F N 1.843 121.864 119.950 0.118 0.000 2.293 296 F HA -0.113 4.414 4.527 0.000 0.000 0.300 296 F C 2.707 178.744 175.800 0.396 0.000 1.086 296 F CA 1.286 59.405 58.000 0.198 0.000 1.375 296 F CB -0.482 38.580 39.000 0.104 0.000 1.045 296 F HN 0.340 nan 8.300 nan 0.000 0.516 297 S N -0.198 115.750 115.700 0.413 0.000 2.442 297 S HA -0.138 4.332 4.470 0.000 0.000 0.236 297 S C 1.873 176.604 174.600 0.218 0.000 1.007 297 S CA 1.345 59.729 58.200 0.307 0.000 0.965 297 S CB -0.588 62.695 63.200 0.139 0.000 0.773 297 S HN 0.292 nan 8.310 nan 0.000 0.504 298 I N 0.987 121.662 120.570 0.174 0.000 2.899 298 I HA 0.226 4.396 4.170 0.000 0.000 0.257 298 I C 2.305 178.485 176.117 0.105 0.000 1.115 298 I CA 0.401 61.792 61.300 0.152 0.000 1.451 298 I CB -1.385 36.690 38.000 0.125 0.000 1.251 298 I HN 0.287 nan 8.210 nan 0.000 0.456 299 L N 0.849 122.148 121.223 0.126 0.000 2.265 299 L HA -0.140 4.200 4.340 0.000 0.000 0.215 299 L C 2.513 179.451 176.870 0.113 0.000 1.117 299 L CA 0.987 55.911 54.840 0.140 0.000 0.782 299 L CB -0.341 41.849 42.059 0.218 0.000 0.914 299 L HN 0.201 nan 8.230 nan 0.000 0.441 300 I N -0.063 120.478 120.570 -0.049 0.000 2.567 300 I HA -0.297 3.873 4.170 0.000 0.000 0.257 300 I C 2.231 178.340 176.117 -0.013 0.000 1.184 300 I CA 0.992 62.174 61.300 -0.196 0.000 1.451 300 I CB 0.136 37.789 38.000 -0.579 0.000 1.089 300 I HN 0.241 nan 8.210 nan 0.000 0.441 301 L N 0.524 121.783 121.223 0.061 0.000 2.127 301 L HA -0.199 4.141 4.340 0.000 0.000 0.211 301 L C 2.654 179.740 176.870 0.360 0.000 1.089 301 L CA 1.203 56.160 54.840 0.195 0.000 0.757 301 L CB -0.724 41.398 42.059 0.104 0.000 0.899 301 L HN 0.315 nan 8.230 nan 0.000 0.434 302 A N -0.450 122.507 122.820 0.229 0.000 2.121 302 A HA -0.054 4.266 4.320 0.000 0.000 0.218 302 A C 2.136 179.842 177.584 0.204 0.000 1.154 302 A CA 0.966 53.161 52.037 0.264 0.000 0.679 302 A CB -0.350 18.747 19.000 0.162 0.000 0.795 302 A HN 0.410 nan 8.150 nan 0.000 0.458 303 L N -0.403 120.900 121.223 0.134 0.000 2.446 303 L HA -0.005 4.335 4.340 0.000 0.000 0.219 303 L C 1.890 178.732 176.870 -0.046 0.000 1.116 303 L CA -0.111 54.767 54.840 0.064 0.000 0.844 303 L CB -0.336 41.777 42.059 0.090 0.000 0.970 303 L HN 0.238 nan 8.230 nan 0.000 0.457 304 I N 1.015 121.513 120.570 -0.120 0.000 2.145 304 I HA -0.226 3.944 4.170 0.000 0.000 0.244 304 I C -0.006 175.789 176.117 -0.537 0.000 1.075 304 I CA 2.040 63.092 61.300 -0.413 0.000 1.332 304 I CB -2.445 35.156 38.000 -0.664 0.000 1.033 304 I HN 0.171 nan 8.210 nan 0.000 0.410 305 P HA -0.135 nan 4.420 nan 0.000 0.216 305 P C 2.117 179.387 177.300 -0.050 0.000 1.150 305 P CA 1.293 64.283 63.100 -0.184 0.000 0.837 305 P CB -0.042 31.611 31.700 -0.078 0.000 0.786 306 L N -1.991 119.204 121.223 -0.047 0.000 2.478 306 L HA -0.015 4.325 4.340 0.000 0.000 0.223 306 L C 1.840 178.702 176.870 -0.013 0.000 1.140 306 L CA 0.696 55.531 54.840 -0.008 0.000 0.842 306 L CB -0.538 41.525 42.059 0.007 0.000 0.953 306 L HN 0.005 nan 8.230 nan 0.000 0.452 307 L N -1.622 119.570 121.223 -0.052 0.000 2.607 307 L HA 0.078 4.418 4.340 0.000 0.000 0.228 307 L C 0.631 177.468 176.870 -0.055 0.000 1.123 307 L CA -0.266 54.537 54.840 -0.061 0.000 0.890 307 L CB -0.317 41.684 42.059 -0.097 0.000 1.103 307 L HN 0.154 nan 8.230 nan 0.000 0.468 308 H N 0.529 119.544 119.070 -0.093 0.000 2.955 308 H HA 0.018 4.574 4.556 0.000 0.000 0.290 308 H C 1.244 176.544 175.328 -0.047 0.000 1.047 308 H CA 0.563 56.587 56.048 -0.040 0.000 1.484 308 H CB 0.802 30.598 29.762 0.057 0.000 1.501 308 H HN 0.125 nan 8.280 nan 0.000 0.521 309 T N 0.063 114.422 114.554 -0.326 0.000 2.969 309 T HA 0.087 4.437 4.350 0.000 0.000 0.250 309 T C 1.052 175.612 174.700 -0.233 0.000 1.021 309 T CA 0.021 62.004 62.100 -0.195 0.000 1.003 309 T CB 0.002 68.783 68.868 -0.144 0.000 1.040 309 T HN 0.441 nan 8.240 nan 0.000 0.492 310 S N 1.117 116.559 115.700 -0.431 0.000 2.568 310 S HA 0.163 4.633 4.470 0.000 0.000 0.282 310 S C 1.147 175.662 174.600 -0.142 0.000 1.338 310 S CA -0.531 57.510 58.200 -0.264 0.000 1.045 310 S CB 0.457 63.488 63.200 -0.281 0.000 0.873 310 S HN 0.208 nan 8.310 nan 0.000 0.516 311 K N 2.240 122.509 120.400 -0.217 0.000 2.418 311 K HA 0.131 4.451 4.320 0.000 0.000 0.195 311 K C 0.279 176.734 176.600 -0.242 0.000 1.035 311 K CA 0.685 56.708 56.287 -0.440 0.000 1.003 311 K CB -0.074 31.668 32.500 -1.265 0.000 0.793 311 K HN 0.650 nan 8.250 nan 0.000 0.494 312 Q N -0.051 119.742 119.800 -0.011 0.000 2.309 312 Q HA 0.302 4.642 4.340 0.000 0.000 0.264 312 Q C 0.837 176.909 176.000 0.119 0.000 1.008 312 Q CA -0.383 55.477 55.803 0.096 0.000 0.853 312 Q CB 2.431 31.298 28.738 0.216 0.000 1.314 312 Q HN -0.060 nan 8.270 nan 0.000 0.448 313 R N 0.891 121.411 120.500 0.034 0.000 2.062 313 R HA -0.003 4.337 4.340 0.000 0.000 0.229 313 R C 0.816 177.067 176.300 -0.082 0.000 1.128 313 R CA 0.961 57.009 56.100 -0.086 0.000 0.960 313 R CB 0.167 30.363 30.300 -0.172 0.000 0.855 313 R HN 0.533 nan 8.270 nan 0.000 0.432 314 S N -0.900 114.764 115.700 -0.060 0.000 2.672 314 S HA 0.184 4.654 4.470 0.000 0.000 0.276 314 S C 0.827 175.272 174.600 -0.258 0.000 1.207 314 S CA -0.672 57.452 58.200 -0.128 0.000 1.002 314 S CB 1.261 64.457 63.200 -0.006 0.000 0.998 314 S HN 0.297 nan 8.310 nan 0.000 0.542 315 M N 2.995 122.254 119.600 -0.569 0.000 2.495 315 M HA 0.102 4.582 4.480 0.000 0.000 0.237 315 M C 1.813 177.794 176.300 -0.533 0.000 1.131 315 M CA 0.109 54.988 55.300 -0.703 0.000 1.032 315 M CB -0.179 31.624 32.600 -1.328 0.000 1.513 315 M HN 0.820 nan 8.290 nan 0.000 0.488 316 M N 0.412 119.764 119.600 -0.414 0.000 2.106 316 M HA -0.226 4.255 4.480 0.000 0.000 0.259 316 M C 0.393 176.543 176.300 -0.250 0.000 1.068 316 M CA 2.084 57.204 55.300 -0.301 0.000 1.100 316 M CB 0.049 32.347 32.600 -0.503 0.000 1.351 316 M HN 0.184 nan 8.290 nan 0.000 0.404 317 F N 0.178 120.146 119.950 0.030 0.000 2.639 317 F HA 0.313 4.840 4.527 0.000 0.000 0.300 317 F C 0.046 175.855 175.800 0.016 0.000 1.109 317 F CA -0.052 57.971 58.000 0.039 0.000 1.335 317 F CB -0.076 38.957 39.000 0.056 0.000 1.014 317 F HN -0.019 nan 8.300 nan 0.000 0.537 318 R N 0.387 120.933 120.500 0.078 0.000 2.402 318 R HA 0.258 4.598 4.340 0.000 0.000 0.290 318 R C -2.074 174.230 176.300 0.008 0.000 1.321 318 R CA -1.469 54.649 56.100 0.030 0.000 1.283 318 R CB 0.682 30.959 30.300 -0.038 0.000 1.111 318 R HN -0.057 nan 8.270 nan 0.000 0.578 319 P HA -0.242 nan 4.420 nan 0.000 0.215 319 P C 0.935 178.272 177.300 0.062 0.000 1.163 319 P CA 1.414 64.556 63.100 0.072 0.000 0.894 319 P CB 0.232 31.976 31.700 0.073 0.000 0.791 320 L N -1.342 119.905 121.223 0.040 0.000 2.017 320 L HA -0.155 4.185 4.340 0.000 0.000 0.208 320 L C 2.409 179.290 176.870 0.017 0.000 1.073 320 L CA 1.703 56.562 54.840 0.032 0.000 0.745 320 L CB -1.377 40.694 42.059 0.019 0.000 0.894 320 L HN -0.017 nan 8.230 nan 0.000 0.432 321 S N -0.622 115.064 115.700 -0.023 0.000 2.399 321 S HA -0.201 4.269 4.470 0.000 0.000 0.231 321 S C 1.990 176.558 174.600 -0.052 0.000 1.022 321 S CA 1.174 59.333 58.200 -0.068 0.000 0.983 321 S CB -0.165 62.949 63.200 -0.143 0.000 0.803 321 S HN 0.443 nan 8.310 nan 0.000 0.480 322 Q N -0.076 119.710 119.800 -0.024 0.000 2.050 322 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 322 Q C 2.489 178.651 176.000 0.270 0.000 0.980 322 Q CA 1.500 57.363 55.803 0.099 0.000 0.840 322 Q CB -0.415 28.451 28.738 0.214 0.000 0.898 322 Q HN 0.538 nan 8.270 nan 0.000 0.424 323 C N 0.568 119.999 119.300 0.219 0.000 2.413 323 C HA -0.142 4.318 4.460 0.000 0.000 0.276 323 C C 2.555 177.649 174.990 0.173 0.000 1.248 323 C CA 0.671 59.827 59.018 0.229 0.000 1.742 323 C CB -1.007 26.817 27.740 0.140 0.000 2.017 323 C HN 0.473 nan 8.230 nan 0.000 0.481 324 L N -0.542 120.736 121.223 0.091 0.000 2.141 324 L HA -0.111 4.229 4.340 0.000 0.000 0.209 324 L C 2.375 179.238 176.870 -0.011 0.000 1.094 324 L CA 1.322 56.180 54.840 0.030 0.000 0.763 324 L CB -0.694 41.361 42.059 -0.008 0.000 0.908 324 L HN 0.322 nan 8.230 nan 0.000 0.437 325 F N -0.096 119.757 119.950 -0.161 0.000 2.134 325 F HA -0.220 4.307 4.527 0.000 0.000 0.299 325 F C 1.939 177.533 175.800 -0.344 0.000 1.097 325 F CA 1.464 59.275 58.000 -0.316 0.000 1.264 325 F CB -0.323 38.401 39.000 -0.461 0.000 1.001 325 F HN -0.025 nan 8.300 nan 0.000 0.479 326 W N -0.027 121.316 121.300 0.073 0.000 2.519 326 W HA 0.067 4.727 4.660 0.000 0.000 0.266 326 W C 2.471 178.931 176.519 -0.099 0.000 1.253 326 W CA 0.904 58.233 57.345 -0.027 0.000 1.274 326 W CB -0.584 28.940 29.460 0.107 0.000 1.114 326 W HN 0.078 nan 8.180 nan 0.000 0.596 327 A N -0.004 122.866 122.820 0.084 0.000 1.968 327 A HA -0.139 4.181 4.320 0.000 0.000 0.217 327 A C 1.862 179.415 177.584 -0.053 0.000 1.169 327 A CA 1.271 53.329 52.037 0.035 0.000 0.638 327 A CB -0.763 18.256 19.000 0.031 0.000 0.812 327 A HN 0.256 nan 8.150 nan 0.000 0.446 328 L N 0.012 121.130 121.223 -0.175 0.000 2.056 328 L HA -0.079 4.261 4.340 0.000 0.000 0.207 328 L C 2.323 179.053 176.870 -0.233 0.000 1.078 328 L CA 1.889 56.591 54.840 -0.229 0.000 0.749 328 L CB -0.592 41.245 42.059 -0.371 0.000 0.901 328 L HN 0.141 nan 8.230 nan 0.000 0.433 329 V N 0.175 119.888 119.914 -0.336 0.000 2.358 329 V HA -0.248 3.872 4.120 0.000 0.000 0.246 329 V C 2.818 178.881 176.094 -0.051 0.000 1.047 329 V CA 1.551 63.715 62.300 -0.227 0.000 1.035 329 V CB -1.446 30.265 31.823 -0.187 0.000 0.658 329 V HN 0.593 nan 8.190 nan 0.000 0.452 330 A N 0.010 122.838 122.820 0.014 0.000 1.933 330 A HA -0.288 4.032 4.320 0.000 0.000 0.218 330 A C 2.033 179.636 177.584 0.033 0.000 1.175 330 A CA 2.132 54.195 52.037 0.044 0.000 0.628 330 A CB -0.647 18.391 19.000 0.063 0.000 0.814 330 A HN 0.583 nan 8.150 nan 0.000 0.444 331 D N -0.335 120.073 120.400 0.013 0.000 2.144 331 D HA -0.077 4.563 4.640 0.000 0.000 0.200 331 D C 1.787 178.099 176.300 0.019 0.000 0.978 331 D CA 0.963 54.983 54.000 0.034 0.000 0.833 331 D CB -0.162 40.660 40.800 0.036 0.000 0.961 331 D HN 0.418 nan 8.370 nan 0.000 0.470 332 L N -0.156 121.042 121.223 -0.042 0.000 2.141 332 L HA -0.081 4.259 4.340 0.000 0.000 0.209 332 L C 2.227 179.090 176.870 -0.012 0.000 1.094 332 L CA 0.304 55.078 54.840 -0.109 0.000 0.763 332 L CB -0.296 41.600 42.059 -0.271 0.000 0.908 332 L HN 0.202 nan 8.230 nan 0.000 0.437 333 L N -0.760 120.477 121.223 0.023 0.000 2.093 333 L HA -0.135 4.205 4.340 0.000 0.000 0.208 333 L C 2.348 179.314 176.870 0.159 0.000 1.085 333 L CA 1.953 56.842 54.840 0.082 0.000 0.755 333 L CB -0.734 41.361 42.059 0.061 0.000 0.904 333 L HN 0.093 nan 8.230 nan 0.000 0.435 334 T N -0.134 114.519 114.554 0.164 0.000 2.737 334 T HA -0.132 4.218 4.350 0.000 0.000 0.265 334 T C 1.963 176.820 174.700 0.262 0.000 1.038 334 T CA 1.808 64.085 62.100 0.295 0.000 1.144 334 T CB -0.306 68.705 68.868 0.239 0.000 0.866 334 T HN 0.298 nan 8.240 nan 0.000 0.434 335 L N 0.728 122.033 121.223 0.137 0.000 2.083 335 L HA -0.115 4.225 4.340 0.000 0.000 0.209 335 L C 2.876 179.816 176.870 0.116 0.000 1.083 335 L CA 1.100 55.989 54.840 0.082 0.000 0.752 335 L CB -0.920 41.168 42.059 0.048 0.000 0.899 335 L HN 0.290 nan 8.230 nan 0.000 0.433 336 T N -1.294 113.366 114.554 0.178 0.000 2.746 336 T HA -0.241 4.109 4.350 0.000 0.000 0.267 336 T C 1.326 176.147 174.700 0.202 0.000 1.039 336 T CA 1.556 63.784 62.100 0.212 0.000 1.142 336 T CB -0.363 68.647 68.868 0.237 0.000 0.866 336 T HN 0.556 nan 8.240 nan 0.000 0.444 337 W N 2.079 123.398 121.300 0.031 0.000 2.355 337 W HA -0.056 4.604 4.660 0.000 0.000 0.309 337 W C 1.595 178.073 176.519 -0.069 0.000 1.206 337 W CA 0.470 57.805 57.345 -0.016 0.000 1.284 337 W CB -0.623 28.824 29.460 -0.023 0.000 1.145 337 W HN 0.047 nan 8.180 nan 0.000 0.502 338 I N 1.545 121.854 120.570 -0.435 0.000 2.286 338 I HA -0.163 4.007 4.170 0.000 0.000 0.248 338 I C 2.516 178.417 176.117 -0.361 0.000 1.115 338 I CA 1.831 62.719 61.300 -0.687 0.000 1.392 338 I CB -2.052 35.693 38.000 -0.425 0.000 1.065 338 I HN 0.264 nan 8.210 nan 0.000 0.418 339 G N 0.254 108.987 108.800 -0.110 0.000 2.498 339 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 339 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 339 G C 1.544 176.510 174.900 0.110 0.000 1.119 339 G CA 0.766 45.925 45.100 0.099 0.000 0.766 339 G HN 0.514 nan 8.290 nan 0.000 0.552 340 G N -1.168 107.607 108.800 -0.043 0.000 3.088 340 G HA2 0.294 4.254 3.960 0.000 0.000 0.217 340 G HA3 0.294 4.254 3.960 0.000 0.000 0.217 340 G C 0.554 175.376 174.900 -0.129 0.000 1.159 340 G CA -0.175 44.904 45.100 -0.035 0.000 0.760 340 G HN 0.280 nan 8.290 nan 0.000 0.550 341 Q N 0.727 120.348 119.800 -0.299 0.000 2.248 341 Q HA 0.380 4.720 4.340 0.000 0.000 0.263 341 Q C -2.456 173.440 176.000 -0.172 0.000 1.007 341 Q CA -2.232 53.326 55.803 -0.409 0.000 0.877 341 Q CB 1.964 30.005 28.738 -1.161 0.000 1.315 341 Q HN 0.068 nan 8.270 nan 0.000 0.454 342 P HA 0.048 nan 4.420 nan 0.000 0.270 342 P C -0.178 177.177 177.300 0.091 0.000 1.223 342 P CA -0.217 62.934 63.100 0.085 0.000 0.785 342 P CB 0.561 32.348 31.700 0.145 0.000 0.923 343 V N 2.175 122.127 119.914 0.064 0.000 2.054 343 V HA 0.089 4.209 4.120 0.000 0.000 0.243 343 V C 0.794 176.928 176.094 0.068 0.000 1.480 343 V CA 0.770 63.093 62.300 0.038 0.000 1.440 343 V CB -1.867 29.956 31.823 -0.001 0.000 1.489 343 V HN 0.528 nan 8.190 nan 0.000 0.502 344 E N 0.576 120.845 120.200 0.114 0.000 2.433 344 E HA 0.389 4.739 4.350 0.000 0.000 0.273 344 E C -0.673 175.951 176.600 0.040 0.000 0.950 344 E CA -0.983 55.470 56.400 0.089 0.000 0.796 344 E CB 1.903 31.661 29.700 0.098 0.000 1.330 344 E HN 0.585 nan 8.360 nan 0.000 0.455 345 H N 2.908 121.934 119.070 -0.073 0.000 2.732 345 H HA 0.122 4.678 4.556 0.000 0.000 0.351 345 H C -1.865 173.288 175.328 -0.292 0.000 1.090 345 H CA -1.157 54.816 56.048 -0.125 0.000 1.431 345 H CB 1.179 30.892 29.762 -0.081 0.000 1.447 345 H HN 0.313 nan 8.280 nan 0.000 0.582 346 P HA 0.000 nan 4.420 nan 0.000 0.262 346 P C 0.480 177.572 177.300 -0.347 0.000 1.304 346 P CA 0.059 62.617 63.100 -0.905 0.000 0.859 346 P CB 0.048 31.218 31.700 -0.884 0.000 1.310 347 Y N 0.644 120.812 120.300 -0.220 0.000 2.256 347 Y HA -0.122 4.428 4.550 0.000 0.000 0.288 347 Y C 2.426 178.220 175.900 -0.177 0.000 1.155 347 Y CA 0.339 58.295 58.100 -0.238 0.000 1.203 347 Y CB -1.424 36.870 38.460 -0.277 0.000 0.980 347 Y HN -0.071 nan 8.280 nan 0.000 0.530 348 I N -0.901 119.684 120.570 0.026 0.000 2.226 348 I HA -0.295 3.875 4.170 0.000 0.000 0.245 348 I C 2.088 178.204 176.117 -0.002 0.000 1.100 348 I CA 1.788 63.090 61.300 0.003 0.000 1.374 348 I CB -0.612 37.397 38.000 0.015 0.000 1.057 348 I HN 0.168 nan 8.210 nan 0.000 0.413 349 T N 0.859 115.412 114.554 -0.003 0.000 2.896 349 T HA 0.050 4.400 4.350 0.000 0.000 0.263 349 T C 1.943 176.655 174.700 0.019 0.000 1.050 349 T CA 0.904 63.010 62.100 0.011 0.000 1.140 349 T CB -0.090 68.789 68.868 0.017 0.000 0.877 349 T HN 0.199 nan 8.240 nan 0.000 0.457 350 I N 1.317 121.898 120.570 0.019 0.000 2.226 350 I HA -0.112 4.058 4.170 0.000 0.000 0.245 350 I C 2.846 178.985 176.117 0.038 0.000 1.100 350 I CA 1.309 62.643 61.300 0.056 0.000 1.374 350 I CB -0.602 37.462 38.000 0.106 0.000 1.057 350 I HN 0.304 nan 8.210 nan 0.000 0.413 351 G N -0.243 108.551 108.800 -0.010 0.000 2.422 351 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 351 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 351 G C 1.585 176.488 174.900 0.005 0.000 1.146 351 G CA 0.364 45.447 45.100 -0.029 0.000 0.769 351 G HN 0.392 nan 8.290 nan 0.000 0.547 352 Q N -0.440 119.369 119.800 0.015 0.000 2.119 352 Q HA 0.121 4.461 4.340 0.000 0.000 0.201 352 Q C 2.630 178.667 176.000 0.061 0.000 0.972 352 Q CA 0.644 56.468 55.803 0.035 0.000 0.847 352 Q CB -0.167 28.587 28.738 0.028 0.000 0.903 352 Q HN 0.434 nan 8.270 nan 0.000 0.433 353 L N -0.125 121.133 121.223 0.058 0.000 2.056 353 L HA -0.141 4.199 4.340 0.000 0.000 0.207 353 L C 2.484 179.405 176.870 0.083 0.000 1.078 353 L CA 0.929 55.811 54.840 0.070 0.000 0.749 353 L CB -0.586 41.513 42.059 0.066 0.000 0.901 353 L HN 0.211 nan 8.230 nan 0.000 0.433 354 A N -0.618 122.249 122.820 0.078 0.000 1.933 354 A HA -0.182 4.139 4.320 0.000 0.000 0.218 354 A C 2.503 180.141 177.584 0.089 0.000 1.175 354 A CA 2.063 54.149 52.037 0.081 0.000 0.628 354 A CB -0.517 18.528 19.000 0.075 0.000 0.814 354 A HN 0.375 nan 8.150 nan 0.000 0.444 355 S N -0.635 115.120 115.700 0.092 0.000 2.368 355 S HA -0.097 4.373 4.470 0.000 0.000 0.224 355 S C 1.883 176.647 174.600 0.273 0.000 1.029 355 S CA 1.309 59.593 58.200 0.141 0.000 0.988 355 S CB -0.353 62.932 63.200 0.142 0.000 0.838 355 S HN 0.333 nan 8.310 nan 0.000 0.462 356 V N 1.844 121.891 119.914 0.221 0.000 2.358 356 V HA -0.100 4.020 4.120 0.000 0.000 0.246 356 V C 2.227 178.444 176.094 0.205 0.000 1.047 356 V CA 1.373 63.816 62.300 0.239 0.000 1.035 356 V CB -0.552 31.358 31.823 0.145 0.000 0.658 356 V HN 0.370 nan 8.190 nan 0.000 0.452 357 L N -0.547 120.759 121.223 0.139 0.000 2.131 357 L HA -0.201 4.139 4.340 0.000 0.000 0.210 357 L C 2.242 179.152 176.870 0.066 0.000 1.092 357 L CA 2.076 56.971 54.840 0.091 0.000 0.759 357 L CB -0.882 41.220 42.059 0.072 0.000 0.903 357 L HN 0.493 nan 8.230 nan 0.000 0.435 358 Y N -0.560 119.691 120.300 -0.081 0.000 2.097 358 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 358 Y C 2.087 177.826 175.900 -0.269 0.000 1.152 358 Y CA 2.109 60.064 58.100 -0.242 0.000 1.136 358 Y CB -0.593 37.622 38.460 -0.408 0.000 0.975 358 Y HN 0.201 nan 8.280 nan 0.000 0.498 359 F N -0.867 119.082 119.950 -0.001 0.000 2.325 359 F HA -0.115 4.412 4.527 0.000 0.000 0.299 359 F C 2.111 177.857 175.800 -0.090 0.000 1.090 359 F CA 0.930 58.872 58.000 -0.096 0.000 1.392 359 F CB -0.828 38.230 39.000 0.096 0.000 1.053 359 F HN 0.167 nan 8.300 nan 0.000 0.521 360 L N -0.239 121.053 121.223 0.114 0.000 2.056 360 L HA -0.108 4.232 4.340 0.000 0.000 0.207 360 L C 2.040 178.897 176.870 -0.023 0.000 1.078 360 L CA 1.605 56.478 54.840 0.056 0.000 0.749 360 L CB -0.722 41.374 42.059 0.062 0.000 0.901 360 L HN 0.090 nan 8.230 nan 0.000 0.433 361 L N -1.107 120.068 121.223 -0.080 0.000 2.017 361 L HA -0.236 4.104 4.340 0.000 0.000 0.208 361 L C 2.420 179.197 176.870 -0.156 0.000 1.073 361 L CA 1.562 56.331 54.840 -0.118 0.000 0.745 361 L CB -0.397 41.570 42.059 -0.154 0.000 0.894 361 L HN 0.247 nan 8.230 nan 0.000 0.432 362 I N -0.744 119.683 120.570 -0.238 0.000 2.233 362 I HA -0.271 3.899 4.170 0.000 0.000 0.243 362 I C 2.230 178.266 176.117 -0.135 0.000 1.093 362 I CA 1.253 62.409 61.300 -0.240 0.000 1.380 362 I CB -0.126 37.643 38.000 -0.384 0.000 1.067 362 I HN 0.182 nan 8.210 nan 0.000 0.413 363 L N -0.642 120.542 121.223 -0.066 0.000 2.270 363 L HA -0.048 4.292 4.340 0.000 0.000 0.210 363 L C 1.982 178.846 176.870 -0.011 0.000 1.104 363 L CA 0.578 55.416 54.840 -0.004 0.000 0.804 363 L CB -0.109 41.997 42.059 0.078 0.000 0.937 363 L HN 0.088 nan 8.230 nan 0.000 0.450 364 V N -1.412 118.491 119.914 -0.017 0.000 3.054 364 V HA 0.009 4.129 4.120 0.000 0.000 0.227 364 V C 1.995 178.072 176.094 -0.029 0.000 1.252 364 V CA 0.099 62.390 62.300 -0.015 0.000 1.279 364 V CB 0.162 31.988 31.823 0.005 0.000 1.118 364 V HN 0.126 nan 8.190 nan 0.000 0.504 365 L N -0.284 120.920 121.223 -0.032 0.000 2.012 365 L HA -0.210 4.130 4.340 0.000 0.000 0.210 365 L C 2.570 179.410 176.870 -0.049 0.000 1.073 365 L CA 1.966 56.786 54.840 -0.034 0.000 0.748 365 L CB -0.588 41.454 42.059 -0.029 0.000 0.891 365 L HN 0.340 nan 8.230 nan 0.000 0.431 366 M N -0.596 118.961 119.600 -0.072 0.000 2.099 366 M HA -0.105 4.375 4.480 0.000 0.000 0.262 366 M C -0.210 176.031 176.300 -0.098 0.000 1.067 366 M CA 1.876 57.123 55.300 -0.088 0.000 1.124 366 M CB -1.352 31.182 32.600 -0.110 0.000 1.353 366 M HN 0.089 nan 8.290 nan 0.000 0.410 367 P HA -0.090 nan 4.420 nan 0.000 0.218 367 P C 1.204 178.458 177.300 -0.077 0.000 1.149 367 P CA 1.337 64.378 63.100 -0.098 0.000 0.817 367 P CB -0.183 31.472 31.700 -0.074 0.000 0.785 368 T N -0.795 113.726 114.554 -0.055 0.000 2.777 368 T HA -0.073 4.277 4.350 0.000 0.000 0.266 368 T C 1.898 176.577 174.700 -0.036 0.000 1.040 368 T CA 1.460 63.538 62.100 -0.037 0.000 1.141 368 T CB -0.851 68.003 68.868 -0.023 0.000 0.868 368 T HN 0.032 nan 8.240 nan 0.000 0.444 369 A N 1.462 124.256 122.820 -0.043 0.000 1.933 369 A HA 0.121 4.441 4.320 0.000 0.000 0.218 369 A C 2.608 180.165 177.584 -0.044 0.000 1.175 369 A CA 1.815 53.831 52.037 -0.035 0.000 0.628 369 A CB -1.368 17.609 19.000 -0.038 0.000 0.814 369 A HN 0.501 nan 8.150 nan 0.000 0.444 370 G N -0.912 107.839 108.800 -0.080 0.000 2.446 370 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 370 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 370 G C 1.586 176.449 174.900 -0.060 0.000 1.168 370 G CA 1.712 46.748 45.100 -0.106 0.000 0.771 370 G HN 0.434 nan 8.290 nan 0.000 0.551 371 T N 1.207 115.731 114.554 -0.049 0.000 2.777 371 T HA -0.015 4.335 4.350 0.000 0.000 0.266 371 T C 2.400 177.108 174.700 0.012 0.000 1.040 371 T CA 0.925 63.013 62.100 -0.020 0.000 1.141 371 T CB -0.137 68.719 68.868 -0.021 0.000 0.868 371 T HN 0.242 nan 8.240 nan 0.000 0.444 372 I N 1.013 121.588 120.570 0.008 0.000 2.226 372 I HA -0.172 3.998 4.170 0.000 0.000 0.245 372 I C 2.593 178.733 176.117 0.039 0.000 1.100 372 I CA 1.409 62.722 61.300 0.020 0.000 1.374 372 I CB -0.365 37.641 38.000 0.011 0.000 1.057 372 I HN 0.335 nan 8.210 nan 0.000 0.413 373 E N 0.645 120.869 120.200 0.041 0.000 2.110 373 E HA -0.200 4.150 4.350 0.000 0.000 0.193 373 E C 1.886 178.568 176.600 0.137 0.000 0.988 373 E CA 1.055 57.497 56.400 0.070 0.000 0.804 373 E CB -0.148 29.588 29.700 0.060 0.000 0.745 373 E HN 0.457 nan 8.360 nan 0.000 0.458 374 N N 1.011 119.806 118.700 0.158 0.000 2.069 374 N HA -0.154 4.586 4.740 0.000 0.000 0.191 374 N C 1.614 177.286 175.510 0.271 0.000 1.031 374 N CA 1.096 54.326 53.050 0.300 0.000 0.852 374 N CB -0.166 38.409 38.487 0.147 0.000 1.018 374 N HN -0.031 nan 8.380 nan 0.000 0.423 375 K N 1.029 121.512 120.400 0.138 0.000 2.063 375 K HA 0.045 4.365 4.320 0.000 0.000 0.208 375 K C 2.054 178.688 176.600 0.057 0.000 1.048 375 K CA 0.583 56.924 56.287 0.091 0.000 0.928 375 K CB -0.662 31.870 32.500 0.054 0.000 0.713 375 K HN 0.180 nan 8.250 nan 0.000 0.442 376 L N 0.011 121.261 121.223 0.045 0.000 2.191 376 L HA -0.116 4.224 4.340 0.000 0.000 0.212 376 L C 1.667 178.516 176.870 -0.034 0.000 1.103 376 L CA 0.819 55.665 54.840 0.010 0.000 0.769 376 L CB -0.206 41.862 42.059 0.015 0.000 0.908 376 L HN 0.127 nan 8.230 nan 0.000 0.438 377 L N -0.726 120.469 121.223 -0.048 0.000 2.607 377 L HA 0.059 4.399 4.340 0.000 0.000 0.228 377 L C 0.519 177.196 176.870 -0.323 0.000 1.123 377 L CA 0.049 54.743 54.840 -0.244 0.000 0.890 377 L CB -0.006 41.819 42.059 -0.390 0.000 1.103 377 L HN 0.194 nan 8.230 nan 0.000 0.468 378 K N 0.114 120.455 120.400 -0.099 0.000 3.167 378 K HA -0.186 4.134 4.320 0.000 0.000 0.272 378 K C -0.906 175.742 176.600 0.080 0.000 1.137 378 K CA 0.720 56.988 56.287 -0.032 0.000 0.800 378 K CB -1.477 30.975 32.500 -0.080 0.000 1.253 378 K HN 0.510 nan 8.250 nan 0.000 0.497 379 W N 0.000 121.297 121.300 -0.005 0.000 2.388 379 W HA 0.000 4.660 4.660 0.000 0.000 0.303 379 W CA 0.000 57.343 57.345 -0.003 0.000 1.226 379 W CB 0.000 29.459 29.460 -0.001 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535