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 1jkm_1_A DATA FIRST_RESID 13 DATA SEQUENCE PGRLGDESSG PRTDPRFSPA MVEALATFGL DAVAAAPPVS ASDDLPTVLA DATA SEQUENCE AVGASHDGFQ AVYDSIALDL PTDRDDVETS TETILGVDGN EITLHVFRPA DATA SEQUENCE GVEGVLPGLV YTHGGGMTIL TTDNRVHRRW CTDLAAAGSV VVMVDFRNAW DATA SEQUENCE TAEGHHPFPS GVEDCLAAVL WVDEHRESLG LSGVVVQGES GGGNLAIATT DATA SEQUENCE LLAKRRGRLD AIDGVYASIP YISGGYAWDH ERRLTELPSL VENDGYFIEN DATA SEQUENCE GGMALLVRAY DPTGEHAEDP IAWPYFASED ELRGLPPFVV AVNELDPLRD DATA SEQUENCE EGIAFARRLA RAGVDVAARV NIGLVHGADV IFRHWLPAAL ESTVRDVAGF DATA SEQUENCE AADRARLR 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.350 177.300 0.083 0.000 1.155 13 P CA 0.000 63.141 63.100 0.068 0.000 0.800 13 P CB 0.000 31.740 31.700 0.066 0.000 0.726 14 G N 1.162 110.041 108.800 0.133 0.000 2.582 14 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.288 14 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.288 14 G C 0.530 175.499 174.900 0.116 0.000 1.247 14 G CA 0.611 45.820 45.100 0.182 0.000 0.972 14 G HN 0.824 nan 8.290 nan 0.000 0.557 15 R N 0.266 120.799 120.500 0.055 0.000 2.323 15 R HA 0.286 4.625 4.340 -0.001 0.000 0.198 15 R C 2.456 178.782 176.300 0.043 0.000 0.988 15 R CA 0.518 56.643 56.100 0.043 0.000 1.041 15 R CB -0.219 30.081 30.300 0.001 0.000 0.926 15 R HN 0.449 nan 8.270 nan 0.000 0.476 16 L N -0.743 120.503 121.223 0.037 0.000 2.109 16 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 16 L C 2.380 179.278 176.870 0.048 0.000 1.086 16 L CA 1.409 56.273 54.840 0.041 0.000 0.760 16 L CB -0.402 41.674 42.059 0.028 0.000 0.910 16 L HN 0.298 nan 8.230 nan 0.000 0.437 17 G N -1.407 107.424 108.800 0.051 0.000 2.459 17 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.213 17 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.213 17 G C -0.111 174.817 174.900 0.048 0.000 1.155 17 G CA 0.226 45.355 45.100 0.047 0.000 0.811 17 G HN 0.305 nan 8.290 nan 0.000 0.534 18 D N -0.997 119.437 120.400 0.057 0.000 2.686 18 D HA 0.149 4.789 4.640 -0.001 0.000 0.249 18 D C 0.740 177.074 176.300 0.057 0.000 1.260 18 D CA -0.655 53.377 54.000 0.052 0.000 0.910 18 D CB 1.529 42.361 40.800 0.053 0.000 1.323 18 D HN -0.041 nan 8.370 nan 0.000 0.561 19 E N 2.109 122.336 120.200 0.046 0.000 2.204 19 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 19 E C 1.012 177.641 176.600 0.049 0.000 0.989 19 E CA 0.924 57.351 56.400 0.045 0.000 0.824 19 E CB 0.235 29.951 29.700 0.027 0.000 0.756 19 E HN 0.449 nan 8.360 nan 0.000 0.477 20 S N -0.145 115.582 115.700 0.045 0.000 2.603 20 S HA 0.020 4.489 4.470 -0.001 0.000 0.220 20 S C 1.020 175.658 174.600 0.064 0.000 0.967 20 S CA 0.186 58.412 58.200 0.044 0.000 0.920 20 S CB -0.127 63.089 63.200 0.027 0.000 0.773 20 S HN 0.115 nan 8.310 nan 0.000 0.529 21 S N 0.533 116.290 115.700 0.096 0.000 2.560 21 S HA 0.549 5.018 4.470 -0.001 0.000 0.284 21 S C 0.355 175.073 174.600 0.197 0.000 1.327 21 S CA 0.269 58.551 58.200 0.136 0.000 1.055 21 S CB 0.236 63.544 63.200 0.180 0.000 0.868 21 S HN 0.816 nan 8.310 nan 0.000 0.506 22 G N 3.395 112.236 108.800 0.070 0.000 2.687 22 G HA2 0.546 4.506 3.960 -0.001 0.000 0.291 22 G HA3 0.546 4.506 3.960 -0.001 0.000 0.291 22 G C -2.753 171.840 174.900 -0.511 0.000 1.420 22 G CA -1.013 44.039 45.100 -0.080 0.000 0.796 22 G HN 0.419 nan 8.290 nan 0.000 0.485 23 P HA -0.042 nan 4.420 nan 0.000 0.217 23 P C 1.845 178.577 177.300 -0.947 0.000 1.150 23 P CA 0.935 63.048 63.100 -1.645 0.000 0.832 23 P CB 0.219 31.212 31.700 -1.178 0.000 0.787 24 R N -1.086 119.114 120.500 -0.500 0.000 2.148 24 R HA 0.001 4.341 4.340 -0.001 0.000 0.223 24 R C 1.768 177.941 176.300 -0.211 0.000 1.088 24 R CA 1.883 57.803 56.100 -0.299 0.000 0.985 24 R CB -1.020 29.160 30.300 -0.199 0.000 0.880 24 R HN 0.350 nan 8.270 nan 0.000 0.451 25 T N -2.616 111.822 114.554 -0.193 0.000 2.990 25 T HA 0.011 4.361 4.350 -0.001 0.000 0.250 25 T C 0.463 175.140 174.700 -0.039 0.000 1.041 25 T CA -0.382 61.665 62.100 -0.089 0.000 1.010 25 T CB 0.219 69.058 68.868 -0.048 0.000 1.003 25 T HN -0.106 nan 8.240 nan 0.000 0.499 26 D N 3.504 123.871 120.400 -0.055 0.000 2.343 26 D HA 0.196 4.836 4.640 -0.001 0.000 0.255 26 D C -1.552 174.844 176.300 0.160 0.000 1.187 26 D CA -2.327 51.742 54.000 0.116 0.000 0.875 26 D CB 1.887 42.839 40.800 0.253 0.000 1.136 26 D HN 0.048 nan 8.370 nan 0.000 0.469 27 P HA 0.008 nan 4.420 nan 0.000 0.242 27 P C 0.764 178.129 177.300 0.109 0.000 1.197 27 P CA 0.407 63.566 63.100 0.098 0.000 0.765 27 P CB 0.263 32.001 31.700 0.063 0.000 0.936 28 R N -1.438 119.145 120.500 0.138 0.000 2.276 28 R HA 0.104 4.444 4.340 -0.001 0.000 0.203 28 R C 0.465 176.762 176.300 -0.004 0.000 1.017 28 R CA 0.107 56.236 56.100 0.049 0.000 1.010 28 R CB -0.343 29.965 30.300 0.014 0.000 0.900 28 R HN 0.181 nan 8.270 nan 0.000 0.469 29 F N 1.593 121.514 119.950 -0.049 0.000 2.443 29 F HA 0.030 4.556 4.527 -0.001 0.000 0.353 29 F C 1.308 177.070 175.800 -0.062 0.000 1.101 29 F CA -0.389 57.563 58.000 -0.080 0.000 1.226 29 F CB 0.794 39.710 39.000 -0.139 0.000 1.140 29 F HN -0.047 nan 8.300 nan 0.000 0.557 30 S N 3.605 119.349 115.700 0.072 0.000 2.624 30 S HA 0.291 4.760 4.470 -0.001 0.000 0.263 30 S C -1.981 172.647 174.600 0.047 0.000 1.287 30 S CA -1.041 57.187 58.200 0.046 0.000 0.990 30 S CB 1.182 64.393 63.200 0.018 0.000 0.950 30 S HN 0.379 nan 8.310 nan 0.000 0.561 31 P HA 0.084 nan 4.420 nan 0.000 0.219 31 P C 1.365 178.664 177.300 -0.002 0.000 1.150 31 P CA 1.548 64.650 63.100 0.004 0.000 0.814 31 P CB -0.200 31.506 31.700 0.010 0.000 0.787 32 A N -1.242 121.592 122.820 0.023 0.000 1.970 32 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 32 A C 2.145 179.704 177.584 -0.042 0.000 1.170 32 A CA 1.354 53.423 52.037 0.053 0.000 0.645 32 A CB -1.166 17.901 19.000 0.111 0.000 0.816 32 A HN 0.093 nan 8.150 nan 0.000 0.447 33 M N -0.277 119.299 119.600 -0.040 0.000 2.132 33 M HA -0.042 4.438 4.480 -0.001 0.000 0.263 33 M C 1.801 177.989 176.300 -0.188 0.000 1.065 33 M CA 1.596 56.833 55.300 -0.104 0.000 1.122 33 M CB -0.371 32.224 32.600 -0.009 0.000 1.365 33 M HN 0.098 nan 8.290 nan 0.000 0.411 34 V N 0.127 119.977 119.914 -0.107 0.000 2.427 34 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 34 V C 2.332 178.252 176.094 -0.289 0.000 1.051 34 V CA 2.160 64.339 62.300 -0.201 0.000 1.048 34 V CB -0.932 30.788 31.823 -0.171 0.000 0.666 34 V HN 0.602 nan 8.190 nan 0.000 0.456 35 E N 0.352 120.394 120.200 -0.263 0.000 2.077 35 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 35 E C 2.266 178.470 176.600 -0.661 0.000 0.989 35 E CA 1.333 57.555 56.400 -0.298 0.000 0.800 35 E CB -0.201 29.443 29.700 -0.094 0.000 0.746 35 E HN 0.559 nan 8.360 nan 0.000 0.452 36 A N 1.060 123.256 122.820 -1.040 0.000 1.908 36 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 36 A C 2.194 179.070 177.584 -1.180 0.000 1.181 36 A CA 1.238 52.276 52.037 -1.665 0.000 0.627 36 A CB -0.641 17.554 19.000 -1.341 0.000 0.818 36 A HN 0.319 nan 8.150 nan 0.000 0.445 37 L N -1.033 119.650 121.223 -0.900 0.000 2.156 37 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 37 L C 2.977 179.643 176.870 -0.341 0.000 1.095 37 L CA 0.757 55.214 54.840 -0.637 0.000 0.770 37 L CB -0.433 41.346 42.059 -0.467 0.000 0.914 37 L HN 0.433 nan 8.230 nan 0.000 0.439 38 A N 0.256 122.869 122.820 -0.344 0.000 2.070 38 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 38 A C 2.415 179.868 177.584 -0.218 0.000 1.159 38 A CA 1.911 53.811 52.037 -0.228 0.000 0.656 38 A CB -0.887 17.991 19.000 -0.202 0.000 0.800 38 A HN 0.548 nan 8.150 nan 0.000 0.453 39 T N -2.820 111.557 114.554 -0.295 0.000 2.653 39 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 39 T C 0.915 175.293 174.700 -0.537 0.000 1.035 39 T CA 1.696 63.560 62.100 -0.393 0.000 1.154 39 T CB -0.531 68.091 68.868 -0.410 0.000 0.862 39 T HN 0.325 nan 8.240 nan 0.000 0.441 40 F N 1.591 121.521 119.950 -0.034 0.000 2.791 40 F HA 0.582 5.109 4.527 -0.001 0.000 0.308 40 F C 1.566 177.355 175.800 -0.018 0.000 1.138 40 F CA -0.724 57.275 58.000 -0.001 0.000 1.294 40 F CB 0.226 39.252 39.000 0.043 0.000 0.975 40 F HN 0.412 nan 8.300 nan 0.000 0.512 41 G N 1.207 110.027 108.800 0.034 0.000 2.323 41 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.292 41 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.292 41 G C 0.614 175.532 174.900 0.029 0.000 1.040 41 G CA 0.406 45.511 45.100 0.009 0.000 0.942 41 G HN 0.513 nan 8.290 nan 0.000 0.506 42 L N 0.103 121.345 121.223 0.031 0.000 2.667 42 L HA 0.199 4.538 4.340 -0.001 0.000 0.232 42 L C 1.886 178.729 176.870 -0.044 0.000 1.138 42 L CA 0.511 55.385 54.840 0.057 0.000 0.921 42 L CB 0.119 42.266 42.059 0.145 0.000 1.180 42 L HN 0.393 nan 8.230 nan 0.000 0.487 43 D N 0.193 120.522 120.400 -0.118 0.000 2.355 43 D HA 0.010 4.650 4.640 -0.001 0.000 0.218 43 D C 0.800 176.998 176.300 -0.171 0.000 1.004 43 D CA 0.095 53.975 54.000 -0.199 0.000 0.880 43 D CB 0.310 40.978 40.800 -0.220 0.000 0.911 43 D HN 0.155 nan 8.370 nan 0.000 0.528 44 A N 0.615 123.381 122.820 -0.089 0.000 2.295 44 A HA 0.486 4.805 4.320 -0.001 0.000 0.318 44 A C 0.130 177.713 177.584 -0.002 0.000 1.134 44 A CA -0.685 51.319 52.037 -0.055 0.000 0.827 44 A CB 1.343 20.326 19.000 -0.027 0.000 1.136 44 A HN 0.025 nan 8.150 nan 0.000 0.493 45 V N 1.696 121.625 119.914 0.024 0.000 2.599 45 V HA 0.280 4.400 4.120 -0.001 0.000 0.300 45 V C 1.155 177.299 176.094 0.084 0.000 1.034 45 V CA 0.399 62.758 62.300 0.098 0.000 1.115 45 V CB 0.289 32.177 31.823 0.107 0.000 0.934 45 V HN 1.066 nan 8.190 nan 0.000 0.485 46 A N 5.001 127.889 122.820 0.112 0.000 2.462 46 A HA 0.652 4.971 4.320 -0.001 0.000 0.243 46 A C 0.528 178.141 177.584 0.048 0.000 1.076 46 A CA 0.238 52.321 52.037 0.076 0.000 0.773 46 A CB 0.276 19.330 19.000 0.090 0.000 1.010 46 A HN 1.327 nan 8.150 nan 0.000 0.493 47 A N 1.699 124.534 122.820 0.024 0.000 2.303 47 A HA 0.689 5.008 4.320 -0.001 0.000 0.317 47 A C 0.723 178.311 177.584 0.007 0.000 1.149 47 A CA 0.011 52.057 52.037 0.015 0.000 0.822 47 A CB 0.303 19.307 19.000 0.007 0.000 1.131 47 A HN 2.219 nan 8.150 nan 0.000 0.493 48 A N 3.090 125.915 122.820 0.009 0.000 2.531 48 A HA 0.506 4.825 4.320 -0.001 0.000 0.236 48 A C -1.749 175.833 177.584 -0.003 0.000 1.062 48 A CA -0.675 51.365 52.037 0.005 0.000 0.760 48 A CB -0.742 18.264 19.000 0.009 0.000 0.995 48 A HN 0.696 nan 8.150 nan 0.000 0.501 49 P HA 0.215 nan 4.420 nan 0.000 0.272 49 P C -2.118 175.178 177.300 -0.007 0.000 1.240 49 P CA -1.078 62.014 63.100 -0.013 0.000 0.791 49 P CB 0.096 31.785 31.700 -0.017 0.000 0.978 50 P HA 0.067 nan 4.420 nan 0.000 0.252 50 P C 0.085 177.383 177.300 -0.003 0.000 1.218 50 P CA 0.291 63.388 63.100 -0.006 0.000 0.807 50 P CB 0.477 32.173 31.700 -0.008 0.000 1.072 51 V N 1.453 121.364 119.914 -0.006 0.000 2.649 51 V HA 0.279 4.399 4.120 -0.001 0.000 0.292 51 V C 0.947 177.043 176.094 0.005 0.000 1.055 51 V CA -0.203 62.096 62.300 -0.002 0.000 1.023 51 V CB 1.204 33.022 31.823 -0.007 0.000 0.992 51 V HN 0.219 nan 8.190 nan 0.000 0.480 52 S N 3.569 119.275 115.700 0.010 0.000 2.651 52 S HA 0.635 5.104 4.470 -0.001 0.000 0.291 52 S C 1.079 175.692 174.600 0.023 0.000 1.141 52 S CA -0.022 58.188 58.200 0.017 0.000 1.027 52 S CB 1.890 65.101 63.200 0.018 0.000 1.043 52 S HN 1.015 nan 8.310 nan 0.000 0.530 53 A N 1.737 124.574 122.820 0.029 0.000 2.067 53 A HA 0.053 4.373 4.320 -0.001 0.000 0.219 53 A C 2.053 179.661 177.584 0.040 0.000 1.158 53 A CA 1.494 53.554 52.037 0.039 0.000 0.661 53 A CB -1.106 17.919 19.000 0.043 0.000 0.801 53 A HN 1.377 nan 8.150 nan 0.000 0.452 54 S N -0.220 115.500 115.700 0.033 0.000 2.631 54 S HA 0.090 4.560 4.470 -0.001 0.000 0.217 54 S C -0.046 174.571 174.600 0.029 0.000 0.958 54 S CA -0.357 57.863 58.200 0.032 0.000 0.920 54 S CB -0.246 62.971 63.200 0.029 0.000 0.776 54 S HN 0.401 nan 8.310 nan 0.000 0.517 55 D N 3.411 123.827 120.400 0.026 0.000 2.384 55 D HA 0.118 4.757 4.640 -0.001 0.000 0.244 55 D C 0.171 176.487 176.300 0.026 0.000 1.251 55 D CA -0.190 53.824 54.000 0.023 0.000 0.961 55 D CB 0.263 41.073 40.800 0.017 0.000 1.116 55 D HN 0.503 nan 8.370 nan 0.000 0.484 56 D N 0.067 120.481 120.400 0.023 0.000 2.399 56 D HA -0.082 4.557 4.640 -0.001 0.000 0.241 56 D C 1.347 177.662 176.300 0.025 0.000 1.133 56 D CA -0.434 53.581 54.000 0.025 0.000 0.890 56 D CB 1.244 42.056 40.800 0.022 0.000 1.201 56 D HN 0.229 nan 8.370 nan 0.000 0.432 57 L N 1.748 122.989 121.223 0.030 0.000 2.013 57 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 57 L C -0.609 176.265 176.870 0.005 0.000 1.073 57 L CA 1.819 56.672 54.840 0.023 0.000 0.753 57 L CB -1.471 40.608 42.059 0.033 0.000 0.890 57 L HN 0.399 nan 8.230 nan 0.000 0.432 58 P HA -0.152 nan 4.420 nan 0.000 0.216 58 P C 1.557 178.867 177.300 0.017 0.000 1.153 58 P CA 1.790 64.899 63.100 0.015 0.000 0.858 58 P CB -0.052 31.659 31.700 0.018 0.000 0.789 59 T N -1.070 113.492 114.554 0.014 0.000 2.812 59 T HA -0.072 4.278 4.350 -0.001 0.000 0.264 59 T C 1.863 176.563 174.700 0.000 0.000 1.042 59 T CA 0.999 63.105 62.100 0.009 0.000 1.140 59 T CB -1.026 67.847 68.868 0.009 0.000 0.870 59 T HN -0.136 nan 8.240 nan 0.000 0.445 60 V N 1.868 121.784 119.914 0.004 0.000 2.252 60 V HA -0.194 3.926 4.120 -0.001 0.000 0.249 60 V C 2.518 178.602 176.094 -0.018 0.000 1.056 60 V CA 1.720 64.021 62.300 0.001 0.000 1.022 60 V CB -0.726 31.109 31.823 0.021 0.000 0.641 60 V HN 0.439 nan 8.190 nan 0.000 0.445 61 L N -0.361 120.859 121.223 -0.004 0.000 2.083 61 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 61 L C 2.723 179.583 176.870 -0.017 0.000 1.083 61 L CA 1.396 56.251 54.840 0.026 0.000 0.752 61 L CB -0.832 41.278 42.059 0.084 0.000 0.899 61 L HN 0.386 nan 8.230 nan 0.000 0.433 62 A N 0.360 123.185 122.820 0.009 0.000 1.865 62 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 62 A C 2.561 180.076 177.584 -0.115 0.000 1.191 62 A CA 2.037 54.064 52.037 -0.016 0.000 0.623 62 A CB -0.914 18.091 19.000 0.009 0.000 0.826 62 A HN 0.402 nan 8.150 nan 0.000 0.444 63 A N -0.768 121.995 122.820 -0.095 0.000 1.948 63 A HA -0.064 4.256 4.320 -0.001 0.000 0.220 63 A C 2.218 179.689 177.584 -0.188 0.000 1.177 63 A CA 2.010 53.980 52.037 -0.111 0.000 0.636 63 A CB -0.971 17.992 19.000 -0.063 0.000 0.815 63 A HN 0.479 nan 8.150 nan 0.000 0.449 64 V N -0.335 119.425 119.914 -0.256 0.000 2.515 64 V HA -0.140 3.980 4.120 -0.001 0.000 0.250 64 V C 2.743 178.363 176.094 -0.789 0.000 1.058 64 V CA 1.775 63.845 62.300 -0.383 0.000 1.064 64 V CB -1.273 30.366 31.823 -0.308 0.000 0.675 64 V HN 0.624 nan 8.190 nan 0.000 0.461 65 G N -0.370 107.740 108.800 -1.151 0.000 2.422 65 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.218 65 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.218 65 G C 1.755 176.310 174.900 -0.575 0.000 1.140 65 G CA 0.932 45.103 45.100 -1.547 0.000 0.775 65 G HN 0.582 nan 8.290 nan 0.000 0.545 66 A N 0.737 123.361 122.820 -0.327 0.000 1.902 66 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 66 A C 2.675 180.165 177.584 -0.157 0.000 1.181 66 A CA 2.214 54.148 52.037 -0.172 0.000 0.623 66 A CB -0.724 18.202 19.000 -0.124 0.000 0.818 66 A HN 0.298 nan 8.150 nan 0.000 0.443 67 S N -1.478 114.125 115.700 -0.163 0.000 2.359 67 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 67 S C 1.906 176.514 174.600 0.013 0.000 1.035 67 S CA 1.744 59.908 58.200 -0.060 0.000 1.018 67 S CB -0.507 62.694 63.200 0.003 0.000 0.876 67 S HN 0.871 nan 8.310 nan 0.000 0.448 68 H N 1.588 120.554 119.070 -0.173 0.000 2.289 68 H HA -0.122 4.433 4.556 -0.001 0.000 0.296 68 H C 1.683 176.974 175.328 -0.061 0.000 1.091 68 H CA 2.256 58.243 56.048 -0.102 0.000 1.274 68 H CB -0.322 29.353 29.762 -0.145 0.000 1.364 68 H HN 0.258 nan 8.280 nan 0.000 0.490 69 D N -0.527 119.839 120.400 -0.056 0.000 2.144 69 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 69 D C 2.390 178.592 176.300 -0.164 0.000 0.984 69 D CA 1.328 55.276 54.000 -0.086 0.000 0.834 69 D CB -0.873 39.920 40.800 -0.013 0.000 0.955 69 D HN 0.633 nan 8.370 nan 0.000 0.465 70 G N -0.049 108.640 108.800 -0.186 0.000 2.433 70 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 70 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 70 G C 1.451 176.138 174.900 -0.356 0.000 1.186 70 G CA 0.228 45.158 45.100 -0.283 0.000 0.779 70 G HN 0.182 nan 8.290 nan 0.000 0.543 71 F N 0.507 120.309 119.950 -0.247 0.000 2.206 71 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 71 F C 2.871 178.442 175.800 -0.381 0.000 1.090 71 F CA 1.388 59.218 58.000 -0.282 0.000 1.323 71 F CB -0.401 38.403 39.000 -0.328 0.000 1.028 71 F HN 0.116 nan 8.300 nan 0.000 0.492 72 Q N 0.697 120.313 119.800 -0.306 0.000 2.135 72 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 72 Q C 2.190 178.085 176.000 -0.176 0.000 0.981 72 Q CA 1.811 57.395 55.803 -0.365 0.000 0.856 72 Q CB -0.516 27.914 28.738 -0.512 0.000 0.902 72 Q HN 0.337 nan 8.270 nan 0.000 0.425 73 A N -0.773 121.944 122.820 -0.172 0.000 1.877 73 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 73 A C 2.241 179.715 177.584 -0.182 0.000 1.186 73 A CA 1.643 53.598 52.037 -0.135 0.000 0.620 73 A CB -0.930 17.989 19.000 -0.135 0.000 0.822 73 A HN 0.259 nan 8.150 nan 0.000 0.443 74 V N -1.138 118.595 119.914 -0.302 0.000 2.252 74 V HA -0.333 3.786 4.120 -0.001 0.000 0.249 74 V C 2.427 178.484 176.094 -0.062 0.000 1.056 74 V CA 2.262 64.307 62.300 -0.425 0.000 1.022 74 V CB -1.270 30.329 31.823 -0.373 0.000 0.641 74 V HN 0.618 nan 8.190 nan 0.000 0.445 75 Y N 0.723 120.917 120.300 -0.177 0.000 2.165 75 Y HA -0.198 4.351 4.550 -0.001 0.000 0.286 75 Y C 2.445 178.282 175.900 -0.106 0.000 1.155 75 Y CA 1.383 59.396 58.100 -0.144 0.000 1.164 75 Y CB -0.756 37.596 38.460 -0.179 0.000 0.978 75 Y HN 0.347 nan 8.280 nan 0.000 0.513 76 D N -1.646 118.796 120.400 0.071 0.000 2.347 76 D HA -0.038 4.601 4.640 -0.001 0.000 0.215 76 D C 1.772 178.098 176.300 0.044 0.000 0.976 76 D CA 0.888 54.908 54.000 0.034 0.000 0.884 76 D CB 0.085 40.892 40.800 0.012 0.000 0.915 76 D HN 0.204 nan 8.370 nan 0.000 0.526 77 S N -0.321 115.420 115.700 0.068 0.000 2.524 77 S HA 0.196 4.665 4.470 -0.001 0.000 0.222 77 S C 0.906 175.633 174.600 0.212 0.000 1.040 77 S CA -0.522 57.765 58.200 0.145 0.000 0.915 77 S CB 1.276 64.612 63.200 0.228 0.000 0.831 77 S HN 0.167 nan 8.310 nan 0.000 0.492 78 I N 2.235 122.937 120.570 0.221 0.000 2.662 78 I HA 0.450 4.619 4.170 -0.001 0.000 0.291 78 I C 0.332 176.534 176.117 0.140 0.000 1.046 78 I CA -0.729 60.767 61.300 0.326 0.000 1.361 78 I CB 0.835 39.055 38.000 0.366 0.000 1.429 78 I HN 0.178 nan 8.210 nan 0.000 0.558 79 A N 6.289 129.160 122.820 0.085 0.000 2.540 79 A HA 0.178 4.497 4.320 -0.001 0.000 0.239 79 A C 0.143 177.624 177.584 -0.172 0.000 1.061 79 A CA 0.149 52.044 52.037 -0.235 0.000 0.758 79 A CB 0.353 18.905 19.000 -0.748 0.000 0.991 79 A HN 0.820 nan 8.150 nan 0.000 0.502 80 L N 0.963 122.083 121.223 -0.171 0.000 3.284 80 L HA 0.204 4.544 4.340 -0.001 0.000 0.294 80 L C 0.171 177.041 176.870 0.000 0.000 1.183 80 L CA 0.329 55.147 54.840 -0.036 0.000 1.056 80 L CB 0.223 42.257 42.059 -0.041 0.000 1.513 80 L HN 0.832 nan 8.230 nan 0.000 0.601 81 D N 0.936 121.324 120.400 -0.020 0.000 2.255 81 D HA 0.325 4.965 4.640 -0.001 0.000 0.249 81 D C -0.426 175.933 176.300 0.099 0.000 1.078 81 D CA -0.145 53.872 54.000 0.028 0.000 0.896 81 D CB 1.981 42.775 40.800 -0.010 0.000 1.194 81 D HN 0.094 nan 8.370 nan 0.000 0.429 82 L N 1.508 122.749 121.223 0.031 0.000 2.354 82 L HA 0.279 4.618 4.340 -0.001 0.000 0.264 82 L C -1.711 175.150 176.870 -0.014 0.000 1.008 82 L CA -2.052 52.784 54.840 -0.007 0.000 0.819 82 L CB 2.613 44.659 42.059 -0.021 0.000 1.339 82 L HN 0.196 nan 8.230 nan 0.000 0.420 83 P HA -0.080 nan 4.420 nan 0.000 0.219 83 P C 1.123 178.412 177.300 -0.019 0.000 1.150 83 P CA 1.006 64.092 63.100 -0.024 0.000 0.814 83 P CB -0.016 31.664 31.700 -0.032 0.000 0.787 84 T N -4.447 110.095 114.554 -0.020 0.000 3.129 84 T HA 0.040 4.389 4.350 -0.001 0.000 0.251 84 T C 0.447 175.139 174.700 -0.014 0.000 1.117 84 T CA -0.246 61.845 62.100 -0.016 0.000 1.034 84 T CB -0.833 68.026 68.868 -0.016 0.000 0.968 84 T HN -0.063 nan 8.240 nan 0.000 0.526 85 D N 2.732 123.125 120.400 -0.012 0.000 2.533 85 D HA 0.119 4.759 4.640 -0.001 0.000 0.236 85 D C 0.307 176.599 176.300 -0.014 0.000 1.137 85 D CA 0.486 54.478 54.000 -0.013 0.000 0.867 85 D CB 0.563 41.358 40.800 -0.008 0.000 1.170 85 D HN 0.395 nan 8.370 nan 0.000 0.474 86 R N 1.733 122.220 120.500 -0.020 0.000 2.474 86 R HA 0.293 4.632 4.340 -0.001 0.000 0.295 86 R C 0.025 176.318 176.300 -0.012 0.000 0.980 86 R CA -0.538 55.551 56.100 -0.018 0.000 0.934 86 R CB 1.346 31.631 30.300 -0.025 0.000 1.101 86 R HN 0.332 nan 8.270 nan 0.000 0.469 87 D N 0.542 120.940 120.400 -0.003 0.000 2.538 87 D HA -0.031 4.609 4.640 -0.001 0.000 0.241 87 D C -0.622 175.687 176.300 0.016 0.000 1.297 87 D CA 0.204 54.209 54.000 0.009 0.000 0.804 87 D CB 0.700 41.505 40.800 0.009 0.000 1.122 87 D HN 0.559 nan 8.370 nan 0.000 0.519 88 D N 1.760 122.166 120.400 0.010 0.000 2.896 88 D HA 0.063 4.703 4.640 -0.001 0.000 0.240 88 D C 0.517 176.829 176.300 0.019 0.000 1.193 88 D CA -0.382 53.625 54.000 0.011 0.000 0.983 88 D CB 0.414 41.217 40.800 0.005 0.000 1.074 88 D HN -0.042 nan 8.370 nan 0.000 0.496 89 V N -2.174 117.761 119.914 0.035 0.000 2.823 89 V HA 0.560 4.679 4.120 -0.001 0.000 0.312 89 V C -0.805 175.316 176.094 0.046 0.000 1.072 89 V CA -0.939 61.394 62.300 0.055 0.000 0.937 89 V CB 2.568 34.450 31.823 0.098 0.000 1.013 89 V HN 0.071 nan 8.190 nan 0.000 0.430 90 E N 2.657 122.875 120.200 0.031 0.000 2.216 90 E HA 0.615 4.964 4.350 -0.001 0.000 0.279 90 E C -0.372 176.196 176.600 -0.053 0.000 0.997 90 E CA -0.479 55.918 56.400 -0.005 0.000 0.817 90 E CB 1.897 31.595 29.700 -0.004 0.000 1.096 90 E HN 1.002 nan 8.360 nan 0.000 0.393 91 T N -0.611 113.875 114.554 -0.113 0.000 2.940 91 T HA 0.736 5.085 4.350 -0.001 0.000 0.288 91 T C -0.100 174.501 174.700 -0.165 0.000 1.033 91 T CA -0.849 61.099 62.100 -0.252 0.000 1.033 91 T CB 1.552 70.200 68.868 -0.367 0.000 1.079 91 T HN 0.442 nan 8.240 nan 0.000 0.496 92 S N 0.206 115.796 115.700 -0.182 0.000 2.752 92 S HA 0.787 5.257 4.470 -0.001 0.000 0.284 92 S C -1.057 173.467 174.600 -0.126 0.000 1.189 92 S CA -0.945 57.187 58.200 -0.113 0.000 0.835 92 S CB 1.533 64.694 63.200 -0.067 0.000 1.192 92 S HN 0.842 nan 8.310 nan 0.000 0.506 93 T N 1.304 115.788 114.554 -0.117 0.000 2.893 93 T HA 0.679 5.029 4.350 -0.001 0.000 0.293 93 T C -1.465 173.132 174.700 -0.172 0.000 1.027 93 T CA -0.587 61.406 62.100 -0.180 0.000 0.988 93 T CB 1.568 70.322 68.868 -0.190 0.000 1.043 93 T HN 0.584 nan 8.240 nan 0.000 0.461 94 E N 1.219 121.270 120.200 -0.249 0.000 2.336 94 E HA 0.605 4.955 4.350 -0.001 0.000 0.267 94 E C -0.961 175.425 176.600 -0.357 0.000 0.906 94 E CA -0.778 55.444 56.400 -0.296 0.000 0.781 94 E CB 2.278 31.716 29.700 -0.435 0.000 1.261 94 E HN 0.475 nan 8.360 nan 0.000 0.436 95 T N 1.809 116.162 114.554 -0.335 0.000 2.841 95 T HA 0.605 4.955 4.350 -0.001 0.000 0.285 95 T C 0.106 174.598 174.700 -0.347 0.000 0.991 95 T CA -0.588 61.331 62.100 -0.302 0.000 0.966 95 T CB 0.522 69.275 68.868 -0.190 0.000 0.962 95 T HN 0.437 nan 8.240 nan 0.000 0.438 96 I N 0.183 120.532 120.570 -0.369 0.000 3.108 96 I HA 0.733 4.903 4.170 -0.001 0.000 0.312 96 I C -1.383 174.627 176.117 -0.179 0.000 1.095 96 I CA -1.599 59.502 61.300 -0.332 0.000 1.000 96 I CB 1.666 39.356 38.000 -0.517 0.000 1.229 96 I HN 0.421 nan 8.210 nan 0.000 0.454 97 L N 2.469 123.631 121.223 -0.102 0.000 2.309 97 L HA 0.663 5.003 4.340 -0.001 0.000 0.282 97 L C 0.689 177.531 176.870 -0.046 0.000 1.036 97 L CA -0.380 54.422 54.840 -0.063 0.000 0.806 97 L CB 1.544 43.585 42.059 -0.030 0.000 1.220 97 L HN 0.914 nan 8.230 nan 0.000 0.429 98 G N 1.149 109.919 108.800 -0.050 0.000 2.583 98 G HA2 0.334 4.294 3.960 -0.001 0.000 0.280 98 G HA3 0.334 4.294 3.960 -0.001 0.000 0.280 98 G C 0.641 175.521 174.900 -0.033 0.000 1.376 98 G CA -0.474 44.601 45.100 -0.041 0.000 1.043 98 G HN 0.345 nan 8.290 nan 0.000 0.538 99 V N -0.027 119.864 119.914 -0.038 0.000 3.041 99 V HA 0.007 4.127 4.120 -0.001 0.000 0.260 99 V C 1.240 177.313 176.094 -0.036 0.000 1.105 99 V CA 1.520 63.799 62.300 -0.036 0.000 1.125 99 V CB -0.142 31.651 31.823 -0.050 0.000 0.730 99 V HN 0.545 nan 8.190 nan 0.000 0.479 100 D N -0.322 120.054 120.400 -0.040 0.000 2.368 100 D HA 0.222 4.862 4.640 -0.001 0.000 0.218 100 D C 1.669 177.951 176.300 -0.029 0.000 1.112 100 D CA 0.862 54.841 54.000 -0.034 0.000 0.834 100 D CB 0.635 41.415 40.800 -0.034 0.000 0.953 100 D HN 0.437 nan 8.370 nan 0.000 0.505 101 G N 2.262 111.044 108.800 -0.029 0.000 2.175 101 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.265 101 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.265 101 G C 0.241 175.117 174.900 -0.039 0.000 0.979 101 G CA 0.518 45.601 45.100 -0.029 0.000 0.663 101 G HN 0.558 nan 8.290 nan 0.000 0.533 102 N N -0.054 118.616 118.700 -0.050 0.000 2.454 102 N HA 0.390 5.130 4.740 -0.001 0.000 0.254 102 N C -0.064 175.402 175.510 -0.073 0.000 1.228 102 N CA -0.060 52.951 53.050 -0.065 0.000 0.900 102 N CB 0.804 39.238 38.487 -0.088 0.000 1.089 102 N HN 0.452 nan 8.380 nan 0.000 0.449 103 E N 1.143 121.295 120.200 -0.079 0.000 2.259 103 E HA 0.275 4.625 4.350 -0.001 0.000 0.281 103 E C -0.570 175.966 176.600 -0.108 0.000 1.027 103 E CA -0.437 55.908 56.400 -0.093 0.000 0.838 103 E CB 1.091 30.738 29.700 -0.088 0.000 1.066 103 E HN 0.511 nan 8.360 nan 0.000 0.401 104 I N 2.698 123.190 120.570 -0.130 0.000 2.355 104 I HA 0.151 4.321 4.170 -0.001 0.000 0.288 104 I C -0.113 175.892 176.117 -0.186 0.000 0.999 104 I CA -0.416 60.803 61.300 -0.133 0.000 1.163 104 I CB 1.842 39.772 38.000 -0.118 0.000 1.316 104 I HN 0.356 nan 8.210 nan 0.000 0.454 105 T N 7.236 121.686 114.554 -0.172 0.000 2.856 105 T HA 0.494 4.844 4.350 -0.001 0.000 0.292 105 T C -0.068 174.463 174.700 -0.283 0.000 0.980 105 T CA -0.315 61.629 62.100 -0.261 0.000 1.091 105 T CB 0.580 69.284 68.868 -0.273 0.000 0.936 105 T HN 0.274 nan 8.240 nan 0.000 0.503 106 L N 3.864 124.872 121.223 -0.358 0.000 2.305 106 L HA 0.417 4.756 4.340 -0.001 0.000 0.284 106 L C -0.237 176.431 176.870 -0.337 0.000 1.013 106 L CA -0.886 53.798 54.840 -0.260 0.000 0.819 106 L CB 0.900 42.794 42.059 -0.275 0.000 1.227 106 L HN 0.712 nan 8.230 nan 0.000 0.417 107 H N 1.998 121.089 119.070 0.035 0.000 2.652 107 H HA 0.371 4.926 4.556 -0.002 0.000 0.298 107 H C -0.508 174.827 175.328 0.012 0.000 1.076 107 H CA -0.363 55.684 56.048 -0.002 0.000 1.360 107 H CB 1.448 31.289 29.762 0.132 0.000 1.421 107 H HN 0.216 nan 8.280 nan 0.000 0.464 108 V N 5.421 125.301 119.914 -0.055 0.000 2.398 108 V HA 0.258 4.378 4.120 -0.001 0.000 0.286 108 V C -0.597 175.405 176.094 -0.155 0.000 1.026 108 V CA -0.622 61.690 62.300 0.019 0.000 0.868 108 V CB 0.363 32.203 31.823 0.030 0.000 0.982 108 V HN 0.551 nan 8.190 nan 0.000 0.443 109 F N 4.795 124.780 119.950 0.058 0.000 2.482 109 F HA 0.825 5.353 4.527 0.001 0.000 0.331 109 F C 0.424 176.228 175.800 0.006 0.000 1.115 109 F CA -0.724 57.291 58.000 0.024 0.000 0.955 109 F CB 1.779 40.776 39.000 -0.004 0.000 1.136 109 F HN 0.503 nan 8.300 nan 0.000 0.452 110 R N 1.917 122.505 120.500 0.146 0.000 2.707 110 R HA 0.590 4.930 4.340 -0.001 0.000 0.272 110 R C -3.421 172.913 176.300 0.058 0.000 1.011 110 R CA -2.276 53.875 56.100 0.086 0.000 0.893 110 R CB 1.779 32.114 30.300 0.057 0.000 1.233 110 R HN 0.174 nan 8.270 nan 0.000 0.464 111 P HA 0.056 nan 4.420 nan 0.000 0.271 111 P C -0.312 176.998 177.300 0.017 0.000 1.226 111 P CA -0.006 63.106 63.100 0.020 0.000 0.765 111 P CB 0.971 32.674 31.700 0.006 0.000 0.835 112 A N 3.551 126.380 122.820 0.015 0.000 2.520 112 A HA 0.409 4.728 4.320 -0.001 0.000 0.245 112 A C 1.529 179.117 177.584 0.007 0.000 1.072 112 A CA 0.647 52.690 52.037 0.011 0.000 0.761 112 A CB -1.284 17.721 19.000 0.009 0.000 1.004 112 A HN 0.874 nan 8.150 nan 0.000 0.499 113 G N 1.147 109.951 108.800 0.006 0.000 2.160 113 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.251 113 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.251 113 G C 0.077 174.980 174.900 0.004 0.000 1.008 113 G CA 0.223 45.326 45.100 0.004 0.000 0.724 113 G HN 1.429 nan 8.290 nan 0.000 0.514 114 V N 1.200 121.117 119.914 0.005 0.000 2.407 114 V HA 0.502 4.622 4.120 -0.001 0.000 0.278 114 V C 0.292 176.389 176.094 0.005 0.000 1.037 114 V CA -0.861 61.442 62.300 0.004 0.000 0.900 114 V CB 1.593 33.418 31.823 0.003 0.000 0.983 114 V HN 0.331 nan 8.190 nan 0.000 0.459 115 E N 2.633 122.835 120.200 0.003 0.000 2.250 115 E HA 0.737 5.086 4.350 -0.001 0.000 0.265 115 E C 0.476 177.077 176.600 0.002 0.000 1.033 115 E CA 0.212 56.614 56.400 0.003 0.000 0.888 115 E CB 1.841 31.542 29.700 0.002 0.000 1.151 115 E HN 1.032 nan 8.360 nan 0.000 0.412 116 G N -0.421 108.380 108.800 0.002 0.000 2.712 116 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.683 116 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.683 116 G C -0.165 174.736 174.900 0.001 0.000 1.320 116 G CA -0.503 44.597 45.100 0.000 0.000 0.847 116 G HN 0.607 nan 8.290 nan 0.000 0.553 117 V N -1.428 118.485 119.914 -0.001 0.000 2.775 117 V HA 0.785 4.904 4.120 -0.001 0.000 0.299 117 V C 0.860 176.953 176.094 -0.001 0.000 1.062 117 V CA -0.507 61.792 62.300 -0.001 0.000 1.063 117 V CB 1.124 32.943 31.823 -0.005 0.000 0.994 117 V HN 0.910 nan 8.190 nan 0.000 0.483 118 L N 3.250 124.474 121.223 0.002 0.000 2.371 118 L HA 0.585 4.925 4.340 -0.001 0.000 0.262 118 L C -2.590 174.279 176.870 -0.001 0.000 1.006 118 L CA -2.219 52.621 54.840 0.000 0.000 0.818 118 L CB 2.688 44.750 42.059 0.004 0.000 1.354 118 L HN 0.414 nan 8.230 nan 0.000 0.415 119 P HA 0.020 nan 4.420 nan 0.000 0.263 119 P C -0.386 176.917 177.300 0.004 0.000 1.175 119 P CA 0.050 63.143 63.100 -0.011 0.000 0.761 119 P CB 0.432 32.120 31.700 -0.022 0.000 0.794 120 G N 2.544 111.353 108.800 0.015 0.000 2.400 120 G HA2 0.604 4.564 3.960 -0.001 0.000 0.333 120 G HA3 0.604 4.564 3.960 -0.001 0.000 0.333 120 G C -1.711 173.220 174.900 0.052 0.000 1.143 120 G CA -0.283 44.842 45.100 0.041 0.000 0.914 120 G HN 0.383 nan 8.290 nan 0.000 0.480 121 L N 1.766 123.032 121.223 0.073 0.000 2.438 121 L HA 0.436 4.775 4.340 -0.001 0.000 0.270 121 L C -0.375 176.582 176.870 0.146 0.000 0.972 121 L CA -0.887 54.013 54.840 0.099 0.000 0.831 121 L CB 1.864 43.957 42.059 0.057 0.000 1.273 121 L HN 0.272 nan 8.230 nan 0.000 0.405 122 V N 5.054 125.069 119.914 0.169 0.000 2.364 122 V HA 0.241 4.360 4.120 -0.001 0.000 0.272 122 V C -0.701 175.540 176.094 0.246 0.000 1.036 122 V CA -0.650 61.767 62.300 0.195 0.000 0.880 122 V CB 1.199 33.115 31.823 0.155 0.000 0.991 122 V HN 0.579 nan 8.190 nan 0.000 0.460 123 Y N 5.065 125.453 120.300 0.147 0.000 2.335 123 Y HA 0.577 5.126 4.550 -0.001 0.000 0.339 123 Y C 0.530 176.536 175.900 0.176 0.000 0.987 123 Y CA -1.014 57.189 58.100 0.171 0.000 1.140 123 Y CB 1.281 39.852 38.460 0.185 0.000 1.173 123 Y HN 0.726 nan 8.280 nan 0.000 0.486 124 T N 3.894 118.211 114.554 -0.396 0.000 2.771 124 T HA 0.403 4.753 4.350 -0.001 0.000 0.281 124 T C -0.474 173.775 174.700 -0.752 0.000 0.982 124 T CA -0.743 61.089 62.100 -0.447 0.000 0.978 124 T CB 0.399 69.097 68.868 -0.283 0.000 0.930 124 T HN 0.788 nan 8.240 nan 0.000 0.447 125 H N 1.852 120.570 119.070 -0.586 0.000 2.509 125 H HA 0.726 5.281 4.556 -0.001 0.000 0.359 125 H C 0.768 176.022 175.328 -0.124 0.000 1.253 125 H CA -0.619 55.083 56.048 -0.577 0.000 1.373 125 H CB 0.032 29.315 29.762 -0.800 0.000 1.555 125 H HN 0.845 nan 8.280 nan 0.000 0.586 126 G N -1.912 107.006 108.800 0.197 0.000 2.563 126 G HA2 0.425 4.385 3.960 -0.001 0.000 0.283 126 G HA3 0.425 4.385 3.960 -0.001 0.000 0.283 126 G C 0.461 175.485 174.900 0.207 0.000 1.309 126 G CA -0.810 44.379 45.100 0.148 0.000 1.022 126 G HN 1.591 nan 8.290 nan 0.000 0.501 127 G N -2.588 106.201 108.800 -0.020 0.000 2.186 127 G HA2 0.367 4.327 3.960 -0.001 0.000 0.130 127 G HA3 0.367 4.327 3.960 -0.001 0.000 0.130 127 G C 1.093 175.881 174.900 -0.186 0.000 1.031 127 G CA 0.669 45.702 45.100 -0.113 0.000 0.697 127 G HN 2.450 nan 8.290 nan 0.000 0.494 128 G N -0.624 107.938 108.800 -0.396 0.000 2.179 128 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.257 128 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.257 128 G C 0.994 175.767 174.900 -0.211 0.000 1.010 128 G CA 1.069 45.808 45.100 -0.601 0.000 0.736 128 G HN 1.855 nan 8.290 nan 0.000 0.513 129 M N -2.205 117.309 119.600 -0.143 0.000 2.763 129 M HA -0.213 4.266 4.480 -0.001 0.000 0.178 129 M C 1.277 177.686 176.300 0.181 0.000 0.620 129 M CA 2.451 57.724 55.300 -0.046 0.000 0.594 129 M CB -2.431 29.912 32.600 -0.428 0.000 2.167 129 M HN 0.436 nan 8.290 nan 0.000 0.512 130 T N -1.700 112.964 114.554 0.182 0.000 3.105 130 T HA 0.540 4.889 4.350 -0.001 0.000 0.257 130 T C 0.613 175.494 174.700 0.303 0.000 0.949 130 T CA 0.537 62.802 62.100 0.276 0.000 0.959 130 T CB 0.689 69.699 68.868 0.236 0.000 1.205 130 T HN 0.607 nan 8.240 nan 0.000 0.496 131 I N -0.923 119.781 120.570 0.223 0.000 3.206 131 I HA 0.739 4.908 4.170 -0.001 0.000 0.313 131 I C -1.611 174.674 176.117 0.281 0.000 1.103 131 I CA -1.639 59.845 61.300 0.306 0.000 0.985 131 I CB 1.930 40.057 38.000 0.212 0.000 1.240 131 I HN 0.024 nan 8.210 nan 0.000 0.464 132 L N -0.008 121.452 121.223 0.395 0.000 0.588 132 L HA -0.113 4.226 4.340 -0.001 0.000 0.356 132 L C -0.163 176.804 176.870 0.163 0.000 1.004 132 L CA -0.045 54.851 54.840 0.092 0.000 1.223 132 L CB -0.927 41.050 42.059 -0.136 0.000 0.066 132 L HN 0.919 nan 8.230 nan 0.000 0.099 133 T N 1.346 115.947 114.554 0.079 0.000 2.899 133 T HA 0.218 4.568 4.350 -0.001 0.000 0.295 133 T C 1.157 175.781 174.700 -0.125 0.000 1.033 133 T CA 0.383 62.505 62.100 0.035 0.000 1.084 133 T CB 1.435 70.340 68.868 0.063 0.000 0.979 133 T HN 0.751 nan 8.240 nan 0.000 0.532 134 T N 1.465 115.965 114.554 -0.091 0.000 2.732 134 T HA -0.049 4.300 4.350 -0.001 0.000 0.261 134 T C 0.788 175.541 174.700 0.088 0.000 1.040 134 T CA 0.784 62.844 62.100 -0.066 0.000 1.145 134 T CB -0.136 68.790 68.868 0.096 0.000 0.866 134 T HN 0.549 nan 8.240 nan 0.000 0.427 135 D N 2.694 123.100 120.400 0.010 0.000 2.494 135 D HA 0.222 4.862 4.640 -0.001 0.000 0.217 135 D C -0.449 175.840 176.300 -0.018 0.000 1.153 135 D CA -0.512 53.445 54.000 -0.071 0.000 0.954 135 D CB -0.503 40.192 40.800 -0.176 0.000 1.034 135 D HN 0.436 nan 8.370 nan 0.000 0.518 136 N N -0.203 118.498 118.700 0.002 0.000 2.571 136 N HA 0.306 5.045 4.740 -0.001 0.000 0.273 136 N C 0.797 176.292 175.510 -0.025 0.000 1.340 136 N CA -0.933 52.096 53.050 -0.035 0.000 0.789 136 N CB 0.938 39.373 38.487 -0.086 0.000 1.514 136 N HN 0.049 nan 8.380 nan 0.000 0.499 137 R N -0.427 120.058 120.500 -0.026 0.000 2.148 137 R HA 0.085 4.424 4.340 -0.001 0.000 0.223 137 R C 0.697 176.969 176.300 -0.047 0.000 1.088 137 R CA 0.850 56.940 56.100 -0.018 0.000 0.985 137 R CB -0.843 29.446 30.300 -0.018 0.000 0.880 137 R HN 0.300 nan 8.270 nan 0.000 0.451 138 V N 1.861 121.699 119.914 -0.127 0.000 2.270 138 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 138 V C 2.120 178.203 176.094 -0.018 0.000 1.043 138 V CA 2.077 64.255 62.300 -0.204 0.000 1.014 138 V CB -0.763 30.715 31.823 -0.574 0.000 0.645 138 V HN 0.437 nan 8.190 nan 0.000 0.447 139 H N -0.183 118.931 119.070 0.073 0.000 2.319 139 H HA -0.143 4.413 4.556 -0.001 0.000 0.299 139 H C 2.606 177.950 175.328 0.027 0.000 1.092 139 H CA 1.568 57.697 56.048 0.135 0.000 1.302 139 H CB -0.088 29.815 29.762 0.234 0.000 1.373 139 H HN 0.277 nan 8.280 nan 0.000 0.497 140 R N 0.432 121.005 120.500 0.122 0.000 2.105 140 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 140 R C 2.462 178.720 176.300 -0.071 0.000 1.135 140 R CA 1.273 57.397 56.100 0.040 0.000 0.967 140 R CB -0.162 30.222 30.300 0.141 0.000 0.861 140 R HN 0.143 nan 8.270 nan 0.000 0.442 141 R N 0.682 121.175 120.500 -0.011 0.000 2.075 141 R HA -0.146 4.194 4.340 -0.001 0.000 0.232 141 R C 1.867 178.146 176.300 -0.035 0.000 1.126 141 R CA 1.481 57.569 56.100 -0.020 0.000 0.963 141 R CB -0.741 29.561 30.300 0.003 0.000 0.858 141 R HN 0.468 nan 8.270 nan 0.000 0.435 142 W N -0.087 121.077 121.300 -0.227 0.000 2.355 142 W HA -0.226 4.433 4.660 -0.001 0.000 0.309 142 W C 1.396 177.662 176.519 -0.422 0.000 1.206 142 W CA 1.432 58.595 57.345 -0.303 0.000 1.284 142 W CB -0.363 28.893 29.460 -0.341 0.000 1.145 142 W HN 0.148 nan 8.180 nan 0.000 0.502 143 C N 0.781 119.665 119.300 -0.692 0.000 2.435 143 C HA -0.152 4.308 4.460 -0.001 0.000 0.279 143 C C 2.587 177.081 174.990 -0.826 0.000 1.321 143 C CA 1.770 60.175 59.018 -1.021 0.000 1.752 143 C CB -1.401 25.384 27.740 -1.591 0.000 1.959 143 C HN 0.377 nan 8.230 nan 0.000 0.500 144 T N 0.604 114.823 114.554 -0.559 0.000 2.857 144 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 144 T C 1.296 175.858 174.700 -0.230 0.000 1.048 144 T CA 1.404 63.366 62.100 -0.231 0.000 1.139 144 T CB -0.327 68.499 68.868 -0.069 0.000 0.874 144 T HN 0.486 nan 8.240 nan 0.000 0.455 145 D N 1.520 121.748 120.400 -0.286 0.000 2.092 145 D HA -0.049 4.591 4.640 -0.001 0.000 0.193 145 D C 2.187 178.280 176.300 -0.345 0.000 0.994 145 D CA 0.873 54.713 54.000 -0.268 0.000 0.828 145 D CB -0.539 40.108 40.800 -0.254 0.000 0.963 145 D HN 0.277 nan 8.370 nan 0.000 0.450 146 L N 0.633 121.509 121.223 -0.578 0.000 2.013 146 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 146 L C 2.553 179.250 176.870 -0.288 0.000 1.073 146 L CA 1.400 55.934 54.840 -0.510 0.000 0.753 146 L CB -0.493 41.122 42.059 -0.741 0.000 0.890 146 L HN 0.003 nan 8.230 nan 0.000 0.432 147 A N -0.174 122.500 122.820 -0.242 0.000 1.902 147 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 147 A C 2.512 180.053 177.584 -0.072 0.000 1.181 147 A CA 1.601 53.577 52.037 -0.101 0.000 0.623 147 A CB -0.678 18.318 19.000 -0.007 0.000 0.818 147 A HN 0.416 nan 8.150 nan 0.000 0.443 148 A N -0.235 122.533 122.820 -0.086 0.000 1.972 148 A HA 0.176 4.496 4.320 -0.001 0.000 0.219 148 A C 2.286 179.832 177.584 -0.064 0.000 1.169 148 A CA 1.821 53.823 52.037 -0.059 0.000 0.635 148 A CB -0.752 18.212 19.000 -0.059 0.000 0.810 148 A HN 1.089 nan 8.150 nan 0.000 0.446 149 A N -1.748 121.016 122.820 -0.092 0.000 2.206 149 A HA 0.413 4.732 4.320 -0.001 0.000 0.211 149 A C 1.475 179.025 177.584 -0.057 0.000 1.158 149 A CA 1.199 53.191 52.037 -0.075 0.000 0.761 149 A CB -0.717 18.224 19.000 -0.100 0.000 0.801 149 A HN 1.878 nan 8.150 nan 0.000 0.473 150 G N -1.039 107.729 108.800 -0.053 0.000 2.337 150 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.134 150 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.134 150 G C -0.155 174.726 174.900 -0.032 0.000 1.052 150 G CA -0.024 45.056 45.100 -0.033 0.000 0.737 150 G HN 0.583 nan 8.290 nan 0.000 0.485 151 S N -1.325 114.349 115.700 -0.042 0.000 2.648 151 S HA 0.795 5.264 4.470 -0.001 0.000 0.305 151 S C 0.128 174.727 174.600 -0.001 0.000 1.094 151 S CA -0.801 57.380 58.200 -0.031 0.000 0.983 151 S CB 2.671 65.831 63.200 -0.067 0.000 1.101 151 S HN 0.693 nan 8.310 nan 0.000 0.514 152 V N 2.261 122.189 119.914 0.023 0.000 2.407 152 V HA 0.451 4.570 4.120 -0.001 0.000 0.278 152 V C -0.576 175.567 176.094 0.081 0.000 1.037 152 V CA -0.459 61.879 62.300 0.063 0.000 0.900 152 V CB 1.287 33.151 31.823 0.069 0.000 0.983 152 V HN 0.662 nan 8.190 nan 0.000 0.459 153 V N 5.708 125.699 119.914 0.130 0.000 2.448 153 V HA 0.452 4.572 4.120 -0.001 0.000 0.295 153 V C -0.260 176.001 176.094 0.278 0.000 1.025 153 V CA -0.632 61.751 62.300 0.139 0.000 0.859 153 V CB 1.978 33.801 31.823 -0.001 0.000 0.988 153 V HN 0.579 nan 8.190 nan 0.000 0.431 154 V N 6.001 126.067 119.914 0.255 0.000 2.313 154 V HA 0.420 4.540 4.120 -0.001 0.000 0.278 154 V C 0.009 176.298 176.094 0.325 0.000 1.017 154 V CA -0.292 62.178 62.300 0.283 0.000 0.823 154 V CB 1.315 33.275 31.823 0.229 0.000 1.010 154 V HN 0.940 nan 8.190 nan 0.000 0.443 155 M N 6.087 125.944 119.600 0.429 0.000 2.188 155 M HA 0.557 5.036 4.480 -0.001 0.000 0.357 155 M C -1.016 175.486 176.300 0.336 0.000 1.204 155 M CA -0.167 55.407 55.300 0.458 0.000 1.095 155 M CB 1.331 34.294 32.600 0.603 0.000 1.604 155 M HN 0.401 nan 8.290 nan 0.000 0.464 156 V N 4.485 124.551 119.914 0.252 0.000 2.407 156 V HA 0.187 4.306 4.120 -0.001 0.000 0.278 156 V C -0.345 175.854 176.094 0.174 0.000 1.037 156 V CA -0.504 61.908 62.300 0.187 0.000 0.900 156 V CB 1.269 33.203 31.823 0.184 0.000 0.983 156 V HN 0.771 nan 8.190 nan 0.000 0.459 157 D N 5.372 125.829 120.400 0.095 0.000 2.522 157 D HA 0.234 4.874 4.640 -0.001 0.000 0.218 157 D C -0.068 176.183 176.300 -0.080 0.000 1.149 157 D CA -0.464 53.528 54.000 -0.013 0.000 0.981 157 D CB -0.082 40.744 40.800 0.043 0.000 1.041 157 D HN 0.323 nan 8.370 nan 0.000 0.518 158 F N 0.318 120.254 119.950 -0.024 0.000 2.410 158 F HA 0.479 5.006 4.527 0.000 0.000 0.334 158 F C 0.774 176.540 175.800 -0.057 0.000 1.134 158 F CA -1.222 56.735 58.000 -0.070 0.000 1.227 158 F CB 0.416 39.352 39.000 -0.107 0.000 1.194 158 F HN -0.127 nan 8.300 nan 0.000 0.571 159 R N 2.662 123.193 120.500 0.052 0.000 2.480 159 R HA 0.039 4.379 4.340 -0.001 0.000 0.303 159 R C -0.301 176.105 176.300 0.177 0.000 0.985 159 R CA -0.255 55.822 56.100 -0.038 0.000 1.051 159 R CB -0.307 29.838 30.300 -0.258 0.000 0.935 159 R HN 0.619 nan 8.270 nan 0.000 0.410 160 N N 1.186 119.953 118.700 0.112 0.000 2.399 160 N HA 0.033 4.772 4.740 -0.001 0.000 0.250 160 N C 0.832 176.538 175.510 0.326 0.000 1.272 160 N CA 0.089 53.300 53.050 0.267 0.000 0.928 160 N CB 0.803 39.424 38.487 0.223 0.000 1.158 160 N HN 0.652 nan 8.380 nan 0.000 0.463 161 A N 0.188 123.246 122.820 0.397 0.000 1.970 161 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 161 A C 0.386 178.251 177.584 0.467 0.000 1.170 161 A CA 0.606 52.904 52.037 0.435 0.000 0.645 161 A CB -0.292 19.018 19.000 0.516 0.000 0.816 161 A HN 0.717 nan 8.150 nan 0.000 0.447 162 W N -0.188 121.250 121.300 0.230 0.000 2.529 162 W HA 0.603 5.263 4.660 -0.000 0.000 0.321 162 W C -0.872 175.684 176.519 0.061 0.000 1.047 162 W CA -0.130 57.294 57.345 0.132 0.000 1.216 162 W CB 1.555 31.058 29.460 0.071 0.000 1.357 162 W HN -0.067 nan 8.180 nan 0.000 0.489 163 T N 3.554 117.497 114.554 -1.018 0.000 2.883 163 T HA 0.437 4.786 4.350 -0.001 0.000 0.301 163 T C 0.749 174.441 174.700 -1.679 0.000 1.158 163 T CA 0.057 61.497 62.100 -1.101 0.000 1.007 163 T CB 1.778 70.429 68.868 -0.362 0.000 1.186 163 T HN 0.508 nan 8.240 nan 0.000 0.499 164 A N 1.264 123.351 122.820 -1.222 0.000 1.972 164 A HA -0.047 4.273 4.320 -0.001 0.000 0.219 164 A C 1.188 178.538 177.584 -0.390 0.000 1.169 164 A CA 1.531 53.173 52.037 -0.660 0.000 0.635 164 A CB -0.457 18.406 19.000 -0.229 0.000 0.810 164 A HN 0.872 nan 8.150 nan 0.000 0.446 165 E N -0.881 119.121 120.200 -0.330 0.000 2.405 165 E HA 0.484 4.833 4.350 -0.001 0.000 0.214 165 E C 0.340 176.824 176.600 -0.194 0.000 1.101 165 E CA 0.069 56.351 56.400 -0.196 0.000 1.254 165 E CB -0.386 29.243 29.700 -0.119 0.000 1.240 165 E HN 0.603 nan 8.360 nan 0.000 0.439 166 G N 0.914 109.541 108.800 -0.288 0.000 2.317 166 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.445 166 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.445 166 G C -1.934 172.742 174.900 -0.372 0.000 1.486 166 G CA -1.149 43.775 45.100 -0.294 0.000 0.991 166 G HN 0.255 nan 8.290 nan 0.000 0.660 167 H N 0.168 118.952 119.070 -0.476 0.000 2.476 167 H HA 0.719 5.275 4.556 -0.001 0.000 0.328 167 H C -0.373 174.663 175.328 -0.486 0.000 1.073 167 H CA -0.651 55.199 56.048 -0.330 0.000 1.229 167 H CB 0.806 30.488 29.762 -0.134 0.000 1.432 167 H HN 0.552 nan 8.280 nan 0.000 0.477 168 H N 6.337 125.392 119.070 -0.024 0.000 2.423 168 H HA 0.254 4.809 4.556 -0.001 0.000 0.237 168 H C -2.338 172.909 175.328 -0.135 0.000 1.391 168 H CA -1.680 54.302 56.048 -0.110 0.000 1.453 168 H CB 0.709 30.456 29.762 -0.025 0.000 1.484 168 H HN 0.557 nan 8.280 nan 0.000 0.505 169 P HA 0.008 nan 4.420 nan 0.000 0.279 169 P C 0.095 177.249 177.300 -0.244 0.000 1.282 169 P CA -0.669 62.308 63.100 -0.206 0.000 0.788 169 P CB 0.980 32.502 31.700 -0.297 0.000 1.139 170 F N 2.297 121.865 119.950 -0.638 0.000 2.602 170 F HA 0.142 4.669 4.527 -0.001 0.000 0.367 170 F C -1.539 173.985 175.800 -0.460 0.000 1.126 170 F CA -1.122 56.415 58.000 -0.772 0.000 1.321 170 F CB 0.040 38.345 39.000 -1.159 0.000 1.094 170 F HN 0.189 nan 8.300 nan 0.000 0.594 171 P HA 0.175 nan 4.420 nan 0.000 0.270 171 P C 0.160 177.121 177.300 -0.566 0.000 1.754 171 P CA -0.007 62.272 63.100 -1.369 0.000 1.202 171 P CB 0.664 31.431 31.700 -1.554 0.000 1.592 172 S N 0.542 116.049 115.700 -0.322 0.000 2.356 172 S HA -0.072 4.397 4.470 -0.001 0.000 0.223 172 S C 2.160 176.703 174.600 -0.094 0.000 1.032 172 S CA 1.872 59.974 58.200 -0.162 0.000 1.005 172 S CB -0.783 62.378 63.200 -0.065 0.000 0.867 172 S HN 0.426 nan 8.310 nan 0.000 0.449 173 G N 0.470 109.258 108.800 -0.021 0.000 2.422 173 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.218 173 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.218 173 G C 1.464 176.300 174.900 -0.108 0.000 1.140 173 G CA 0.797 45.916 45.100 0.032 0.000 0.775 173 G HN 0.428 nan 8.290 nan 0.000 0.545 174 V N 0.232 120.075 119.914 -0.117 0.000 2.548 174 V HA -0.029 4.091 4.120 -0.001 0.000 0.249 174 V C 2.551 178.579 176.094 -0.110 0.000 1.055 174 V CA 1.938 64.165 62.300 -0.121 0.000 1.065 174 V CB -0.110 31.685 31.823 -0.048 0.000 0.681 174 V HN 0.310 nan 8.190 nan 0.000 0.462 175 E N 0.091 120.211 120.200 -0.133 0.000 2.072 175 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 175 E C 1.954 178.521 176.600 -0.055 0.000 0.985 175 E CA 1.588 57.930 56.400 -0.098 0.000 0.801 175 E CB -0.380 29.248 29.700 -0.121 0.000 0.750 175 E HN 0.664 nan 8.360 nan 0.000 0.452 176 D N 0.482 120.855 120.400 -0.045 0.000 2.123 176 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 176 D C 2.126 178.432 176.300 0.010 0.000 0.992 176 D CA 0.921 54.919 54.000 -0.004 0.000 0.833 176 D CB -0.533 40.294 40.800 0.044 0.000 0.954 176 D HN 0.202 nan 8.370 nan 0.000 0.455 177 C N 0.688 119.972 119.300 -0.026 0.000 2.440 177 C HA -0.008 4.451 4.460 -0.001 0.000 0.278 177 C C 2.837 177.828 174.990 0.002 0.000 1.295 177 C CA -0.155 58.846 59.018 -0.029 0.000 1.738 177 C CB -1.010 26.654 27.740 -0.127 0.000 1.987 177 C HN 0.374 nan 8.230 nan 0.000 0.492 178 L N 1.182 122.401 121.223 -0.008 0.000 2.017 178 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 178 L C 2.854 179.754 176.870 0.050 0.000 1.073 178 L CA 1.814 56.667 54.840 0.022 0.000 0.745 178 L CB -0.734 41.330 42.059 0.009 0.000 0.894 178 L HN 0.358 nan 8.230 nan 0.000 0.432 179 A N -0.119 122.725 122.820 0.039 0.000 1.927 179 A HA -0.299 4.020 4.320 -0.001 0.000 0.220 179 A C 2.422 180.076 177.584 0.116 0.000 1.185 179 A CA 2.127 54.204 52.037 0.066 0.000 0.639 179 A CB -0.830 18.187 19.000 0.028 0.000 0.820 179 A HN 0.567 nan 8.150 nan 0.000 0.451 180 A N -0.894 121.978 122.820 0.087 0.000 1.873 180 A HA 0.023 4.343 4.320 -0.001 0.000 0.215 180 A C 2.250 179.955 177.584 0.202 0.000 1.186 180 A CA 1.763 53.873 52.037 0.122 0.000 0.616 180 A CB -0.942 18.103 19.000 0.075 0.000 0.823 180 A HN 0.427 nan 8.150 nan 0.000 0.442 181 V N 0.259 120.259 119.914 0.143 0.000 2.343 181 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 181 V C 2.561 178.747 176.094 0.153 0.000 1.051 181 V CA 1.940 64.325 62.300 0.141 0.000 1.036 181 V CB -0.743 31.136 31.823 0.094 0.000 0.654 181 V HN 0.564 nan 8.190 nan 0.000 0.451 182 L N -1.729 119.580 121.223 0.145 0.000 2.056 182 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 182 L C 2.307 179.294 176.870 0.196 0.000 1.078 182 L CA 1.984 56.904 54.840 0.134 0.000 0.749 182 L CB -0.617 41.505 42.059 0.106 0.000 0.901 182 L HN 0.486 nan 8.230 nan 0.000 0.433 183 W N 0.568 121.919 121.300 0.085 0.000 2.338 183 W HA -0.221 4.439 4.660 -0.000 0.000 0.304 183 W C 2.308 178.958 176.519 0.219 0.000 1.212 183 W CA 1.771 59.205 57.345 0.148 0.000 1.264 183 W CB -0.133 29.355 29.460 0.047 0.000 1.142 183 W HN -0.192 nan 8.180 nan 0.000 0.512 184 V N 0.505 120.651 119.914 0.388 0.000 2.358 184 V HA -0.319 3.801 4.120 -0.001 0.000 0.246 184 V C 1.922 178.042 176.094 0.043 0.000 1.047 184 V CA 2.396 64.823 62.300 0.211 0.000 1.035 184 V CB -1.163 30.817 31.823 0.263 0.000 0.658 184 V HN 0.190 nan 8.190 nan 0.000 0.452 185 D N 0.306 120.739 120.400 0.055 0.000 2.149 185 D HA -0.216 4.423 4.640 -0.001 0.000 0.198 185 D C 2.097 178.349 176.300 -0.079 0.000 0.990 185 D CA 1.543 55.542 54.000 -0.001 0.000 0.839 185 D CB -0.078 40.734 40.800 0.021 0.000 0.948 185 D HN 0.563 nan 8.370 nan 0.000 0.460 186 E N -1.507 118.614 120.200 -0.131 0.000 2.358 186 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 186 E C 0.607 176.863 176.600 -0.574 0.000 1.010 186 E CA 0.533 56.748 56.400 -0.309 0.000 0.856 186 E CB 0.017 29.526 29.700 -0.319 0.000 0.795 186 E HN 0.554 nan 8.360 nan 0.000 0.504 187 H N -0.409 118.397 119.070 -0.440 0.000 2.503 187 H HA 0.250 4.805 4.556 -0.000 0.000 0.296 187 H C 1.092 176.269 175.328 -0.250 0.000 1.097 187 H CA -0.234 55.540 56.048 -0.456 0.000 1.055 187 H CB 0.292 29.509 29.762 -0.909 0.000 1.580 187 H HN -0.028 nan 8.280 nan 0.000 0.546 188 R N 0.349 120.783 120.500 -0.110 0.000 2.091 188 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 188 R C 1.936 178.209 176.300 -0.045 0.000 1.136 188 R CA 1.667 57.736 56.100 -0.053 0.000 0.959 188 R CB 0.146 30.419 30.300 -0.046 0.000 0.856 188 R HN 0.487 nan 8.270 nan 0.000 0.437 189 E N 0.437 120.595 120.200 -0.071 0.000 2.047 189 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 189 E C 1.823 178.404 176.600 -0.032 0.000 0.987 189 E CA 1.681 58.049 56.400 -0.053 0.000 0.799 189 E CB 0.093 29.751 29.700 -0.070 0.000 0.752 189 E HN 0.335 nan 8.360 nan 0.000 0.449 190 S N 0.231 115.911 115.700 -0.034 0.000 2.436 190 S HA -0.026 4.444 4.470 -0.001 0.000 0.228 190 S C 2.045 176.659 174.600 0.025 0.000 1.014 190 S CA 0.368 58.570 58.200 0.003 0.000 0.950 190 S CB -0.325 62.893 63.200 0.029 0.000 0.784 190 S HN 0.275 nan 8.310 nan 0.000 0.504 191 L N 1.289 122.526 121.223 0.025 0.000 2.291 191 L HA 0.183 4.523 4.340 -0.001 0.000 0.214 191 L C 1.691 178.581 176.870 0.034 0.000 1.120 191 L CA 0.593 55.461 54.840 0.047 0.000 0.799 191 L CB -0.998 41.100 42.059 0.065 0.000 0.925 191 L HN 0.623 nan 8.230 nan 0.000 0.446 192 G N 0.985 109.794 108.800 0.015 0.000 2.291 192 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.271 192 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.271 192 G C -0.247 174.660 174.900 0.011 0.000 1.099 192 G CA -0.307 44.799 45.100 0.010 0.000 0.919 192 G HN 0.191 nan 8.290 nan 0.000 0.496 193 L N 0.202 121.429 121.223 0.007 0.000 2.317 193 L HA 0.588 4.928 4.340 -0.001 0.000 0.281 193 L C 1.500 178.367 176.870 -0.004 0.000 1.024 193 L CA -0.290 54.556 54.840 0.008 0.000 0.810 193 L CB 1.855 43.925 42.059 0.018 0.000 1.240 193 L HN 0.317 nan 8.230 nan 0.000 0.427 194 S N -0.173 115.523 115.700 -0.006 0.000 2.556 194 S HA 0.387 4.857 4.470 -0.001 0.000 0.216 194 S C 0.533 175.122 174.600 -0.019 0.000 0.970 194 S CA 0.029 58.221 58.200 -0.014 0.000 0.912 194 S CB 0.443 63.634 63.200 -0.016 0.000 0.790 194 S HN 0.840 nan 8.310 nan 0.000 0.504 195 G N 0.035 108.826 108.800 -0.014 0.000 2.632 195 G HA2 0.511 4.470 3.960 -0.001 0.000 0.292 195 G HA3 0.511 4.470 3.960 -0.001 0.000 0.292 195 G C -1.996 172.903 174.900 -0.001 0.000 1.465 195 G CA -0.593 44.495 45.100 -0.020 0.000 0.824 195 G HN 0.227 nan 8.290 nan 0.000 0.509 196 V N 0.839 120.756 119.914 0.004 0.000 2.443 196 V HA 0.605 4.724 4.120 -0.001 0.000 0.293 196 V C -0.302 175.812 176.094 0.033 0.000 1.021 196 V CA -0.658 61.661 62.300 0.032 0.000 0.848 196 V CB 1.315 33.165 31.823 0.045 0.000 0.998 196 V HN 0.648 nan 8.190 nan 0.000 0.424 197 V N 5.500 125.448 119.914 0.057 0.000 2.628 197 V HA 0.535 4.654 4.120 -0.001 0.000 0.306 197 V C -0.216 175.959 176.094 0.135 0.000 1.045 197 V CA -0.665 61.694 62.300 0.098 0.000 0.905 197 V CB 2.443 34.347 31.823 0.136 0.000 0.997 197 V HN 0.589 nan 8.190 nan 0.000 0.436 198 V N 4.493 124.485 119.914 0.130 0.000 2.427 198 V HA 0.533 4.652 4.120 -0.001 0.000 0.286 198 V C -0.151 176.046 176.094 0.171 0.000 1.034 198 V CA -0.363 62.014 62.300 0.128 0.000 0.893 198 V CB 1.439 33.305 31.823 0.072 0.000 0.982 198 V HN 0.863 nan 8.190 nan 0.000 0.452 199 Q N 2.551 122.485 119.800 0.224 0.000 2.331 199 Q HA 0.739 5.079 4.340 -0.001 0.000 0.272 199 Q C -0.668 175.523 176.000 0.318 0.000 1.062 199 Q CA -0.306 55.673 55.803 0.294 0.000 0.806 199 Q CB 2.613 31.551 28.738 0.334 0.000 1.312 199 Q HN 0.947 nan 8.270 nan 0.000 0.431 200 G N 2.036 110.988 108.800 0.254 0.000 2.608 200 G HA2 0.491 4.451 3.960 -0.001 0.000 0.291 200 G HA3 0.491 4.451 3.960 -0.001 0.000 0.291 200 G C -1.641 173.346 174.900 0.145 0.000 1.425 200 G CA -0.602 44.618 45.100 0.199 0.000 0.787 200 G HN 0.551 nan 8.290 nan 0.000 0.484 201 E N -0.242 120.009 120.200 0.085 0.000 2.238 201 E HA 0.707 5.057 4.350 -0.001 0.000 0.267 201 E C 0.391 177.008 176.600 0.028 0.000 0.887 201 E CA 0.112 56.529 56.400 0.029 0.000 0.769 201 E CB 1.651 31.305 29.700 -0.076 0.000 1.187 201 E HN 1.331 nan 8.360 nan 0.000 0.416 202 S N 2.316 118.056 115.700 0.066 0.000 4.151 202 S HA -0.285 4.185 4.470 -0.001 0.000 0.617 202 S C 1.467 176.113 174.600 0.077 0.000 1.878 202 S CA 2.246 60.522 58.200 0.126 0.000 4.245 202 S CB -1.922 61.355 63.200 0.127 0.000 0.205 202 S HN 1.127 nan 8.310 nan 0.000 0.468 203 G N 0.918 109.669 108.800 -0.081 0.000 2.450 203 G HA2 0.095 4.055 3.960 -0.001 0.000 0.220 203 G HA3 0.095 4.055 3.960 -0.001 0.000 0.220 203 G C 1.473 176.312 174.900 -0.102 0.000 1.130 203 G CA 1.340 46.383 45.100 -0.094 0.000 0.760 203 G HN 1.411 nan 8.290 nan 0.000 0.557 204 G N 0.245 108.988 108.800 -0.095 0.000 2.551 204 G HA2 0.207 4.166 3.960 -0.001 0.000 0.216 204 G HA3 0.207 4.166 3.960 -0.001 0.000 0.216 204 G C 1.631 176.480 174.900 -0.085 0.000 1.137 204 G CA 1.108 46.111 45.100 -0.163 0.000 0.798 204 G HN 0.520 nan 8.290 nan 0.000 0.536 205 G N 0.971 109.770 108.800 -0.003 0.000 2.403 205 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 205 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 205 G C 1.678 176.581 174.900 0.005 0.000 1.154 205 G CA 0.994 46.117 45.100 0.038 0.000 0.784 205 G HN 0.406 nan 8.290 nan 0.000 0.538 206 N N 1.077 119.776 118.700 -0.002 0.000 2.018 206 N HA -0.115 4.624 4.740 -0.001 0.000 0.196 206 N C 2.315 177.768 175.510 -0.095 0.000 1.043 206 N CA 1.407 54.427 53.050 -0.050 0.000 0.856 206 N CB -0.483 37.983 38.487 -0.034 0.000 1.042 206 N HN 0.338 nan 8.380 nan 0.000 0.423 207 L N 0.526 121.654 121.223 -0.158 0.000 2.083 207 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 207 L C 2.657 179.459 176.870 -0.113 0.000 1.083 207 L CA 1.277 55.998 54.840 -0.199 0.000 0.752 207 L CB -0.503 41.308 42.059 -0.414 0.000 0.899 207 L HN 0.196 nan 8.230 nan 0.000 0.433 208 A N 0.288 123.065 122.820 -0.070 0.000 1.902 208 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 208 A C 2.219 179.823 177.584 0.033 0.000 1.181 208 A CA 1.495 53.523 52.037 -0.013 0.000 0.623 208 A CB -0.598 18.414 19.000 0.021 0.000 0.818 208 A HN 0.337 nan 8.150 nan 0.000 0.443 209 I N -0.285 120.322 120.570 0.063 0.000 2.202 209 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 209 I C 2.958 179.146 176.117 0.119 0.000 1.091 209 I CA 1.089 62.486 61.300 0.160 0.000 1.368 209 I CB -0.340 37.709 38.000 0.083 0.000 1.058 209 I HN 0.342 nan 8.210 nan 0.000 0.410 210 A N 0.170 123.016 122.820 0.042 0.000 1.972 210 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 210 A C 2.350 179.968 177.584 0.057 0.000 1.169 210 A CA 2.287 54.354 52.037 0.050 0.000 0.635 210 A CB -1.006 18.006 19.000 0.020 0.000 0.810 210 A HN 0.396 nan 8.150 nan 0.000 0.446 211 T N -0.363 114.209 114.554 0.030 0.000 2.821 211 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 211 T C 1.973 176.712 174.700 0.064 0.000 1.046 211 T CA 1.863 63.979 62.100 0.028 0.000 1.139 211 T CB -0.375 68.493 68.868 0.001 0.000 0.871 211 T HN 0.563 nan 8.240 nan 0.000 0.454 212 T N 2.405 117.017 114.554 0.096 0.000 2.812 212 T HA 0.111 4.460 4.350 -0.001 0.000 0.264 212 T C 2.002 176.788 174.700 0.144 0.000 1.042 212 T CA 0.746 62.925 62.100 0.131 0.000 1.140 212 T CB -0.386 68.596 68.868 0.190 0.000 0.870 212 T HN 0.246 nan 8.240 nan 0.000 0.445 213 L N 0.594 121.911 121.223 0.156 0.000 2.046 213 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 213 L C 2.558 179.490 176.870 0.104 0.000 1.077 213 L CA 0.980 55.904 54.840 0.139 0.000 0.747 213 L CB -0.581 41.565 42.059 0.146 0.000 0.896 213 L HN 0.233 nan 8.230 nan 0.000 0.432 214 L N -0.268 121.008 121.223 0.089 0.000 2.093 214 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 214 L C 2.799 179.704 176.870 0.059 0.000 1.085 214 L CA 1.428 56.308 54.840 0.067 0.000 0.755 214 L CB -0.479 41.609 42.059 0.048 0.000 0.904 214 L HN 0.285 nan 8.230 nan 0.000 0.435 215 A N -0.291 122.567 122.820 0.063 0.000 1.933 215 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 215 A C 2.375 179.997 177.584 0.062 0.000 1.175 215 A CA 1.826 53.899 52.037 0.059 0.000 0.628 215 A CB -0.449 18.589 19.000 0.064 0.000 0.814 215 A HN 0.326 nan 8.150 nan 0.000 0.444 216 K N -0.404 120.041 120.400 0.075 0.000 2.057 216 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 216 K C 2.277 178.912 176.600 0.059 0.000 1.049 216 K CA 1.242 57.572 56.287 0.072 0.000 0.931 216 K CB -0.210 32.342 32.500 0.086 0.000 0.714 216 K HN 0.434 nan 8.250 nan 0.000 0.440 217 R N 0.169 120.705 120.500 0.060 0.000 2.096 217 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 217 R C 1.963 178.288 176.300 0.042 0.000 1.127 217 R CA 1.356 57.487 56.100 0.052 0.000 0.968 217 R CB -0.090 30.243 30.300 0.056 0.000 0.861 217 R HN 0.187 nan 8.270 nan 0.000 0.440 218 R N -0.370 120.153 120.500 0.040 0.000 2.335 218 R HA 0.103 4.443 4.340 -0.001 0.000 0.223 218 R C 0.777 177.095 176.300 0.030 0.000 0.940 218 R CA 0.508 56.627 56.100 0.032 0.000 1.086 218 R CB 0.619 30.936 30.300 0.029 0.000 1.073 218 R HN 0.378 nan 8.270 nan 0.000 0.504 219 G N 1.677 110.497 108.800 0.034 0.000 2.136 219 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.242 219 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.242 219 G C 0.560 175.478 174.900 0.030 0.000 0.989 219 G CA -0.168 44.950 45.100 0.030 0.000 0.682 219 G HN 0.248 nan 8.290 nan 0.000 0.522 220 R N -0.686 119.836 120.500 0.036 0.000 2.629 220 R HA 0.321 4.660 4.340 -0.001 0.000 0.386 220 R C 1.801 178.127 176.300 0.043 0.000 1.071 220 R CA -0.286 55.836 56.100 0.035 0.000 1.104 220 R CB -0.182 30.140 30.300 0.036 0.000 1.370 220 R HN 0.352 nan 8.270 nan 0.000 0.574 221 L N 2.653 123.906 121.223 0.049 0.000 2.129 221 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 221 L C 1.784 178.684 176.870 0.051 0.000 1.087 221 L CA 2.059 56.934 54.840 0.059 0.000 0.757 221 L CB -0.285 41.813 42.059 0.066 0.000 0.896 221 L HN 0.276 nan 8.230 nan 0.000 0.434 222 D N -1.365 119.057 120.400 0.038 0.000 2.350 222 D HA -0.159 4.480 4.640 -0.001 0.000 0.216 222 D C 1.790 178.105 176.300 0.025 0.000 0.968 222 D CA 0.904 54.922 54.000 0.029 0.000 0.894 222 D CB -0.025 40.786 40.800 0.018 0.000 0.909 222 D HN 0.434 nan 8.370 nan 0.000 0.520 223 A N 0.798 123.636 122.820 0.031 0.000 2.070 223 A HA 0.030 4.349 4.320 -0.001 0.000 0.220 223 A C 1.472 179.080 177.584 0.039 0.000 1.159 223 A CA 0.453 52.510 52.037 0.033 0.000 0.656 223 A CB -0.319 18.707 19.000 0.043 0.000 0.800 223 A HN 0.299 nan 8.150 nan 0.000 0.453 224 I N 0.084 120.680 120.570 0.044 0.000 2.355 224 I HA 0.196 4.366 4.170 -0.001 0.000 0.288 224 I C -0.271 175.869 176.117 0.038 0.000 0.999 224 I CA -0.485 60.843 61.300 0.047 0.000 1.163 224 I CB 1.751 39.786 38.000 0.058 0.000 1.316 224 I HN 0.059 nan 8.210 nan 0.000 0.454 225 D N 4.781 125.192 120.400 0.019 0.000 2.323 225 D HA 0.164 4.804 4.640 -0.001 0.000 0.209 225 D C 0.796 177.090 176.300 -0.011 0.000 0.973 225 D CA 0.568 54.566 54.000 -0.004 0.000 0.874 225 D CB 0.907 41.686 40.800 -0.035 0.000 0.930 225 D HN 0.739 nan 8.370 nan 0.000 0.521 226 G N -0.544 108.266 108.800 0.016 0.000 2.387 226 G HA2 0.392 4.351 3.960 -0.001 0.000 0.294 226 G HA3 0.392 4.351 3.960 -0.001 0.000 0.294 226 G C -1.835 173.138 174.900 0.123 0.000 1.509 226 G CA -0.587 44.562 45.100 0.081 0.000 0.806 226 G HN -0.064 nan 8.290 nan 0.000 0.546 227 V N 0.671 120.589 119.914 0.006 0.000 2.588 227 V HA 0.562 4.682 4.120 -0.001 0.000 0.304 227 V C -1.416 174.564 176.094 -0.191 0.000 1.042 227 V CA -0.798 61.339 62.300 -0.272 0.000 0.877 227 V CB 1.847 33.066 31.823 -1.006 0.000 0.996 227 V HN 0.760 nan 8.190 nan 0.000 0.425 228 Y N 3.913 124.150 120.300 -0.106 0.000 2.388 228 Y HA 0.728 5.277 4.550 -0.000 0.000 0.328 228 Y C 0.220 176.094 175.900 -0.044 0.000 0.963 228 Y CA -0.921 57.070 58.100 -0.182 0.000 1.240 228 Y CB 1.264 39.667 38.460 -0.095 0.000 1.118 228 Y HN 0.726 nan 8.280 nan 0.000 0.484 229 A N 4.358 127.208 122.820 0.050 0.000 2.253 229 A HA 0.638 4.957 4.320 -0.001 0.000 0.316 229 A C -0.428 177.264 177.584 0.181 0.000 1.327 229 A CA -0.472 51.658 52.037 0.156 0.000 0.917 229 A CB 0.218 19.330 19.000 0.187 0.000 1.162 229 A HN 0.620 nan 8.150 nan 0.000 0.535 230 S N 2.014 117.851 115.700 0.228 0.000 2.508 230 S HA 0.444 4.914 4.470 -0.001 0.000 0.284 230 S C 0.791 175.454 174.600 0.106 0.000 1.192 230 S CA -0.118 58.191 58.200 0.180 0.000 1.070 230 S CB 0.402 63.675 63.200 0.122 0.000 1.004 230 S HN 1.431 nan 8.310 nan 0.000 0.493 231 I N -0.533 120.093 120.570 0.094 0.000 3.815 231 I HA -0.135 4.035 4.170 -0.001 0.000 0.126 231 I C -2.562 173.661 176.117 0.175 0.000 1.050 231 I CA -0.585 60.783 61.300 0.114 0.000 2.736 231 I CB -1.641 36.375 38.000 0.027 0.000 1.417 231 I HN 0.269 nan 8.210 nan 0.000 0.341 232 P HA 0.018 nan 4.420 nan 0.000 0.271 232 P C -0.881 176.540 177.300 0.201 0.000 1.216 232 P CA 0.302 63.491 63.100 0.149 0.000 0.776 232 P CB 0.769 32.519 31.700 0.083 0.000 0.881 233 Y N 5.250 125.589 120.300 0.067 0.000 2.841 233 Y HA 0.390 4.940 4.550 -0.000 0.000 0.329 233 Y C 0.781 176.818 175.900 0.227 0.000 1.062 233 Y CA -0.351 57.809 58.100 0.100 0.000 1.281 233 Y CB -0.272 38.215 38.460 0.044 0.000 1.147 233 Y HN 0.293 nan 8.280 nan 0.000 0.521 234 I N 0.005 120.620 120.570 0.075 0.000 4.655 234 I HA 0.180 4.350 4.170 -0.001 0.000 0.333 234 I C 1.385 177.601 176.117 0.165 0.000 1.312 234 I CA 0.582 61.977 61.300 0.159 0.000 1.270 234 I CB 0.355 38.364 38.000 0.014 0.000 1.318 234 I HN 0.389 nan 8.210 nan 0.000 0.456 235 S N 1.550 117.107 115.700 -0.238 0.000 2.388 235 S HA 0.233 4.702 4.470 -0.001 0.000 0.223 235 S C 1.907 175.953 174.600 -0.923 0.000 1.034 235 S CA 0.943 58.782 58.200 -0.602 0.000 0.963 235 S CB -0.549 62.003 63.200 -1.080 0.000 0.827 235 S HN 0.924 nan 8.310 nan 0.000 0.481 236 G N 0.832 108.659 108.800 -1.621 0.000 2.160 236 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.251 236 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.251 236 G C 0.600 174.344 174.900 -1.926 0.000 1.008 236 G CA 0.224 43.961 45.100 -2.272 0.000 0.724 236 G HN 1.237 nan 8.290 nan 0.000 0.514 237 G N -0.833 106.559 108.800 -2.347 0.000 3.448 237 G HA2 0.432 4.392 3.960 -0.001 0.000 0.261 237 G HA3 0.432 4.392 3.960 -0.001 0.000 0.261 237 G C 0.922 174.763 174.900 -1.764 0.000 1.173 237 G CA 0.570 44.078 45.100 -2.653 0.000 0.835 237 G HN 0.501 nan 8.290 nan 0.000 0.534 238 Y N 0.373 120.221 120.300 -0.754 0.000 2.439 238 Y HA 0.202 4.752 4.550 -0.001 0.000 0.292 238 Y C 2.548 178.289 175.900 -0.265 0.000 1.130 238 Y CA 0.303 58.153 58.100 -0.416 0.000 1.254 238 Y CB -0.119 38.169 38.460 -0.288 0.000 1.000 238 Y HN 0.253 nan 8.280 nan 0.000 0.554 239 A N -1.197 121.479 122.820 -0.240 0.000 2.275 239 A HA 0.072 4.392 4.320 -0.001 0.000 0.212 239 A C 0.303 177.911 177.584 0.040 0.000 1.201 239 A CA -0.399 51.597 52.037 -0.067 0.000 0.843 239 A CB -0.511 18.463 19.000 -0.044 0.000 0.873 239 A HN 0.273 nan 8.150 nan 0.000 0.492 240 W N 1.911 123.146 121.300 -0.109 0.000 2.186 240 W HA 0.259 4.919 4.660 -0.000 0.000 0.355 240 W C 0.395 176.889 176.519 -0.041 0.000 1.293 240 W CA -0.430 56.864 57.345 -0.085 0.000 1.316 240 W CB -0.183 29.209 29.460 -0.113 0.000 1.212 240 W HN 0.551 nan 8.180 nan 0.000 0.610 241 D N -1.417 119.109 120.400 0.210 0.000 2.377 241 D HA 0.006 4.646 4.640 -0.001 0.000 0.245 241 D C 1.207 177.595 176.300 0.146 0.000 1.196 241 D CA -0.143 53.941 54.000 0.140 0.000 0.962 241 D CB 0.489 41.344 40.800 0.090 0.000 1.127 241 D HN 0.503 nan 8.370 nan 0.000 0.471 242 H N -0.528 118.573 119.070 0.052 0.000 2.319 242 H HA -0.159 4.396 4.556 -0.001 0.000 0.297 242 H C 1.501 176.849 175.328 0.034 0.000 1.097 242 H CA 2.055 58.127 56.048 0.041 0.000 1.285 242 H CB 0.273 30.050 29.762 0.024 0.000 1.368 242 H HN 0.428 nan 8.280 nan 0.000 0.495 243 E N 0.116 120.364 120.200 0.081 0.000 2.150 243 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 243 E C 2.431 179.000 176.600 -0.052 0.000 0.985 243 E CA 0.880 57.284 56.400 0.007 0.000 0.814 243 E CB -0.173 29.549 29.700 0.037 0.000 0.752 243 E HN 0.481 nan 8.360 nan 0.000 0.466 244 R N 1.096 121.568 120.500 -0.046 0.000 2.092 244 R HA -0.031 4.309 4.340 -0.001 0.000 0.231 244 R C 2.301 178.593 176.300 -0.013 0.000 1.119 244 R CA 1.053 57.091 56.100 -0.102 0.000 0.970 244 R CB 0.050 30.212 30.300 -0.229 0.000 0.864 244 R HN -0.023 nan 8.270 nan 0.000 0.440 245 R N 0.160 120.692 120.500 0.053 0.000 2.081 245 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 245 R C 2.343 178.609 176.300 -0.057 0.000 1.131 245 R CA 1.517 57.653 56.100 0.060 0.000 0.960 245 R CB -0.494 29.823 30.300 0.029 0.000 0.856 245 R HN 0.294 nan 8.270 nan 0.000 0.436 246 L N 0.849 121.967 121.223 -0.175 0.000 2.046 246 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 246 L C 2.363 179.188 176.870 -0.075 0.000 1.077 246 L CA 2.058 56.796 54.840 -0.170 0.000 0.747 246 L CB -0.457 41.465 42.059 -0.230 0.000 0.896 246 L HN 0.409 nan 8.230 nan 0.000 0.432 247 T N -4.753 109.765 114.554 -0.059 0.000 3.009 247 T HA -0.139 4.211 4.350 -0.001 0.000 0.258 247 T C 1.601 176.290 174.700 -0.019 0.000 1.063 247 T CA 0.810 62.888 62.100 -0.036 0.000 1.139 247 T CB 0.108 68.950 68.868 -0.043 0.000 0.890 247 T HN 0.357 nan 8.240 nan 0.000 0.471 248 E N 0.497 120.691 120.200 -0.009 0.000 2.102 248 E HA 0.235 4.585 4.350 -0.001 0.000 0.190 248 E C 0.343 176.984 176.600 0.068 0.000 0.971 248 E CA 0.336 56.756 56.400 0.033 0.000 0.821 248 E CB 0.288 30.003 29.700 0.025 0.000 0.777 248 E HN 0.433 nan 8.360 nan 0.000 0.460 249 L N 1.179 122.439 121.223 0.061 0.000 2.502 249 L HA 0.285 4.624 4.340 -0.001 0.000 0.249 249 L C -2.201 174.668 176.870 -0.000 0.000 1.446 249 L CA -1.330 53.527 54.840 0.029 0.000 0.887 249 L CB 1.679 43.739 42.059 0.002 0.000 1.126 249 L HN -0.007 nan 8.230 nan 0.000 0.509 250 P HA -0.162 nan 4.420 nan 0.000 0.221 250 P C 1.664 178.946 177.300 -0.031 0.000 1.145 250 P CA 1.109 64.192 63.100 -0.028 0.000 0.795 250 P CB 0.234 31.925 31.700 -0.016 0.000 0.775 251 S N -0.525 115.164 115.700 -0.020 0.000 2.419 251 S HA -0.129 4.340 4.470 -0.001 0.000 0.233 251 S C 1.839 176.412 174.600 -0.046 0.000 1.016 251 S CA 0.945 59.130 58.200 -0.026 0.000 0.974 251 S CB -1.657 61.541 63.200 -0.005 0.000 0.786 251 S HN 0.119 nan 8.310 nan 0.000 0.492 252 L N 0.752 121.951 121.223 -0.039 0.000 2.362 252 L HA 0.007 4.347 4.340 -0.001 0.000 0.219 252 L C 2.223 179.062 176.870 -0.052 0.000 1.134 252 L CA 0.484 55.301 54.840 -0.038 0.000 0.807 252 L CB -0.380 41.667 42.059 -0.020 0.000 0.927 252 L HN 0.300 nan 8.230 nan 0.000 0.447 253 V N -1.095 118.778 119.914 -0.068 0.000 2.581 253 V HA -0.124 3.995 4.120 -0.001 0.000 0.240 253 V C 2.293 178.340 176.094 -0.079 0.000 1.054 253 V CA 0.983 63.245 62.300 -0.063 0.000 1.076 253 V CB -0.037 31.726 31.823 -0.100 0.000 0.748 253 V HN 0.365 nan 8.190 nan 0.000 0.474 254 E N 1.062 121.213 120.200 -0.082 0.000 2.086 254 E HA -0.278 4.072 4.350 -0.001 0.000 0.200 254 E C 1.154 177.594 176.600 -0.266 0.000 1.012 254 E CA 1.907 58.248 56.400 -0.099 0.000 0.812 254 E CB 0.009 29.679 29.700 -0.050 0.000 0.743 254 E HN 0.559 nan 8.360 nan 0.000 0.453 255 N N 0.923 119.420 118.700 -0.339 0.000 2.200 255 N HA 0.018 4.757 4.740 -0.001 0.000 0.224 255 N C -0.940 174.246 175.510 -0.539 0.000 1.179 255 N CA -0.071 52.563 53.050 -0.693 0.000 0.877 255 N CB 0.446 38.798 38.487 -0.225 0.000 1.072 255 N HN 0.102 nan 8.380 nan 0.000 0.519 256 D N 0.286 120.504 120.400 -0.305 0.000 2.450 256 D HA 0.275 4.915 4.640 -0.001 0.000 0.247 256 D C 1.386 177.638 176.300 -0.081 0.000 1.162 256 D CA 1.447 55.367 54.000 -0.134 0.000 0.879 256 D CB 0.273 41.036 40.800 -0.061 0.000 1.163 256 D HN 0.420 nan 8.370 nan 0.000 0.472 257 G N 3.360 112.180 108.800 0.033 0.000 2.213 257 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.226 257 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.226 257 G C -0.016 175.090 174.900 0.344 0.000 0.992 257 G CA -0.199 44.987 45.100 0.143 0.000 0.632 257 G HN 0.447 nan 8.290 nan 0.000 0.511 258 Y N 0.716 121.109 120.300 0.155 0.000 2.594 258 Y HA 0.516 5.066 4.550 -0.001 0.000 0.344 258 Y C 1.196 177.307 175.900 0.353 0.000 1.185 258 Y CA -0.862 57.389 58.100 0.252 0.000 1.565 258 Y CB -0.859 37.786 38.460 0.309 0.000 1.415 258 Y HN 0.483 nan 8.280 nan 0.000 0.488 259 F N 0.016 120.123 119.950 0.263 0.000 2.540 259 F HA -0.367 4.160 4.527 -0.001 0.000 0.722 259 F C 0.086 176.021 175.800 0.226 0.000 0.486 259 F CA 1.126 59.272 58.000 0.243 0.000 0.756 259 F CB -1.234 37.951 39.000 0.308 0.000 1.620 259 F HN 0.223 nan 8.300 nan 0.000 0.271 260 I N 0.696 121.300 120.570 0.058 0.000 2.822 260 I HA 0.687 4.856 4.170 -0.001 0.000 0.312 260 I C -0.445 175.653 176.117 -0.033 0.000 1.011 260 I CA -0.224 61.011 61.300 -0.109 0.000 1.105 260 I CB 1.923 39.742 38.000 -0.302 0.000 1.291 260 I HN 0.450 nan 8.210 nan 0.000 0.474 261 E N 1.433 121.592 120.200 -0.068 0.000 2.430 261 E HA 0.347 4.696 4.350 -0.001 0.000 0.279 261 E C -1.211 175.349 176.600 -0.066 0.000 1.003 261 E CA -0.770 55.604 56.400 -0.043 0.000 0.801 261 E CB 1.203 30.906 29.700 0.004 0.000 1.313 261 E HN 0.632 nan 8.360 nan 0.000 0.459 262 N N 0.252 118.931 118.700 -0.035 0.000 2.270 262 N HA -0.021 4.719 4.740 -0.001 0.000 0.181 262 N C 1.555 177.074 175.510 0.014 0.000 1.016 262 N CA 1.155 54.201 53.050 -0.008 0.000 0.870 262 N CB -0.038 38.469 38.487 0.034 0.000 0.979 262 N HN 0.649 nan 8.380 nan 0.000 0.431 263 G N 0.374 109.179 108.800 0.009 0.000 2.421 263 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 263 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 263 G C 1.510 176.416 174.900 0.010 0.000 1.171 263 G CA 0.931 46.040 45.100 0.014 0.000 0.775 263 G HN 0.381 nan 8.290 nan 0.000 0.543 264 G N 0.394 109.191 108.800 -0.005 0.000 2.408 264 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.217 264 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.217 264 G C 1.884 176.776 174.900 -0.013 0.000 1.150 264 G CA 0.768 45.865 45.100 -0.006 0.000 0.776 264 G HN 0.388 nan 8.290 nan 0.000 0.542 265 M N 0.820 120.387 119.600 -0.054 0.000 2.159 265 M HA -0.008 4.471 4.480 -0.001 0.000 0.263 265 M C 3.020 179.389 176.300 0.115 0.000 1.063 265 M CA 1.264 56.533 55.300 -0.052 0.000 1.110 265 M CB -0.219 32.177 32.600 -0.340 0.000 1.374 265 M HN 0.331 nan 8.290 nan 0.000 0.411 266 A N 0.591 123.475 122.820 0.107 0.000 1.972 266 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 266 A C 2.071 179.715 177.584 0.100 0.000 1.169 266 A CA 1.206 53.306 52.037 0.106 0.000 0.635 266 A CB -0.848 18.182 19.000 0.049 0.000 0.810 266 A HN 0.457 nan 8.150 nan 0.000 0.446 267 L N -0.543 120.725 121.223 0.076 0.000 2.042 267 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 267 L C 2.532 179.475 176.870 0.121 0.000 1.076 267 L CA 1.208 56.092 54.840 0.074 0.000 0.749 267 L CB -0.650 41.426 42.059 0.030 0.000 0.893 267 L HN 0.390 nan 8.230 nan 0.000 0.432 268 L N -1.054 120.255 121.223 0.143 0.000 2.046 268 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 268 L C 2.599 179.677 176.870 0.347 0.000 1.077 268 L CA 0.845 55.811 54.840 0.210 0.000 0.747 268 L CB -0.709 41.452 42.059 0.170 0.000 0.896 268 L HN 0.081 nan 8.230 nan 0.000 0.432 269 V N 0.173 120.307 119.914 0.366 0.000 2.287 269 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 269 V C 2.743 179.066 176.094 0.381 0.000 1.053 269 V CA 2.091 64.650 62.300 0.432 0.000 1.027 269 V CB -0.615 31.302 31.823 0.155 0.000 0.646 269 V HN 0.422 nan 8.190 nan 0.000 0.447 270 R N 0.832 121.484 120.500 0.252 0.000 2.081 270 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 270 R C 2.156 178.619 176.300 0.272 0.000 1.131 270 R CA 1.837 58.067 56.100 0.217 0.000 0.960 270 R CB -0.968 29.415 30.300 0.139 0.000 0.856 270 R HN 0.453 nan 8.270 nan 0.000 0.436 271 A N -0.721 122.273 122.820 0.290 0.000 1.940 271 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 271 A C 2.115 180.013 177.584 0.523 0.000 1.176 271 A CA 1.549 53.808 52.037 0.370 0.000 0.631 271 A CB -0.895 18.301 19.000 0.325 0.000 0.814 271 A HN 0.539 nan 8.150 nan 0.000 0.446 272 Y N -0.077 120.419 120.300 0.328 0.000 2.220 272 Y HA 0.027 4.576 4.550 -0.001 0.000 0.291 272 Y C 0.358 176.408 175.900 0.251 0.000 1.129 272 Y CA 1.487 59.755 58.100 0.279 0.000 1.161 272 Y CB 0.180 38.791 38.460 0.252 0.000 0.997 272 Y HN 0.362 nan 8.280 nan 0.000 0.522 273 D N -0.356 120.251 120.400 0.345 0.000 2.513 273 D HA 0.226 4.865 4.640 -0.001 0.000 0.295 273 D C -2.199 174.248 176.300 0.245 0.000 1.202 273 D CA -2.236 51.912 54.000 0.246 0.000 0.849 273 D CB 0.752 41.734 40.800 0.303 0.000 1.116 273 D HN 0.014 nan 8.370 nan 0.000 0.502 274 P HA -0.124 nan 4.420 nan 0.000 0.220 274 P C 1.243 178.636 177.300 0.155 0.000 1.148 274 P CA 1.206 64.434 63.100 0.213 0.000 0.803 274 P CB -0.007 31.856 31.700 0.270 0.000 0.782 275 T N -5.451 109.189 114.554 0.145 0.000 3.067 275 T HA 0.295 4.644 4.350 -0.001 0.000 0.257 275 T C 1.630 176.382 174.700 0.087 0.000 1.105 275 T CA 0.784 62.945 62.100 0.101 0.000 1.104 275 T CB -0.956 67.963 68.868 0.085 0.000 0.925 275 T HN 0.238 nan 8.240 nan 0.000 0.498 276 G N 2.271 111.142 108.800 0.117 0.000 2.159 276 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.256 276 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.256 276 G C 0.623 175.550 174.900 0.046 0.000 0.977 276 G CA 0.490 45.644 45.100 0.090 0.000 0.652 276 G HN 0.773 nan 8.290 nan 0.000 0.531 277 E N -0.598 119.615 120.200 0.022 0.000 2.478 277 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 277 E C 1.144 177.606 176.600 -0.232 0.000 1.045 277 E CA 0.613 56.949 56.400 -0.107 0.000 0.868 277 E CB -0.122 29.485 29.700 -0.154 0.000 0.885 277 E HN 0.633 nan 8.360 nan 0.000 0.505 278 H N 0.210 119.285 119.070 0.008 0.000 2.524 278 H HA 0.390 4.946 4.556 -0.000 0.000 0.299 278 H C 1.394 176.752 175.328 0.050 0.000 1.074 278 H CA 0.339 56.361 56.048 -0.045 0.000 1.115 278 H CB 0.914 30.532 29.762 -0.241 0.000 1.522 278 H HN 0.308 nan 8.280 nan 0.000 0.543 279 A N 0.490 123.371 122.820 0.101 0.000 2.070 279 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 279 A C 1.467 178.937 177.584 -0.190 0.000 1.159 279 A CA 1.433 53.481 52.037 0.019 0.000 0.656 279 A CB 0.086 19.037 19.000 -0.080 0.000 0.800 279 A HN 0.494 nan 8.150 nan 0.000 0.453 280 E N -0.705 119.346 120.200 -0.249 0.000 2.758 280 E HA 0.060 4.410 4.350 -0.001 0.000 0.215 280 E C -0.893 175.645 176.600 -0.103 0.000 0.985 280 E CA -0.377 55.703 56.400 -0.535 0.000 1.102 280 E CB 0.429 29.788 29.700 -0.569 0.000 1.042 280 E HN 0.395 nan 8.360 nan 0.000 0.480 281 D N 1.819 122.238 120.400 0.032 0.000 2.348 281 D HA 0.035 4.675 4.640 -0.001 0.000 0.253 281 D C -1.490 174.894 176.300 0.139 0.000 1.161 281 D CA -2.239 51.815 54.000 0.090 0.000 0.876 281 D CB 1.435 42.295 40.800 0.100 0.000 1.160 281 D HN -0.070 nan 8.370 nan 0.000 0.459 282 P HA -0.040 nan 4.420 nan 0.000 0.229 282 P C 1.487 178.854 177.300 0.111 0.000 1.160 282 P CA 0.248 63.462 63.100 0.190 0.000 0.777 282 P CB 0.502 32.309 31.700 0.178 0.000 0.814 283 I N -0.203 120.420 120.570 0.088 0.000 2.617 283 I HA -0.067 4.103 4.170 -0.001 0.000 0.256 283 I C 2.280 178.379 176.117 -0.031 0.000 1.167 283 I CA 0.849 62.215 61.300 0.110 0.000 1.469 283 I CB -1.742 36.409 38.000 0.253 0.000 1.098 283 I HN -0.073 nan 8.210 nan 0.000 0.436 284 A N -0.228 122.354 122.820 -0.397 0.000 1.861 284 A HA -0.060 4.260 4.320 -0.001 0.000 0.212 284 A C 0.513 177.581 177.584 -0.859 0.000 1.199 284 A CA 0.423 51.927 52.037 -0.888 0.000 0.613 284 A CB -0.509 17.684 19.000 -1.345 0.000 0.846 284 A HN 0.438 nan 8.150 nan 0.000 0.446 285 W N -1.029 120.280 121.300 0.016 0.000 2.443 285 W HA 0.476 5.135 4.660 -0.000 0.000 0.303 285 W C -2.505 174.103 176.519 0.148 0.000 0.991 285 W CA -1.908 55.492 57.345 0.092 0.000 1.522 285 W CB 1.011 30.591 29.460 0.201 0.000 1.315 285 W HN 0.138 nan 8.180 nan 0.000 0.419 286 P HA -0.228 nan 4.420 nan 0.000 0.226 286 P C 1.459 178.818 177.300 0.098 0.000 1.153 286 P CA 1.104 64.237 63.100 0.056 0.000 0.777 286 P CB -0.011 31.564 31.700 -0.208 0.000 0.794 287 Y N -0.797 119.499 120.300 -0.006 0.000 2.384 287 Y HA -0.146 4.404 4.550 -0.001 0.000 0.289 287 Y C 1.276 177.061 175.900 -0.191 0.000 1.152 287 Y CA 1.418 59.466 58.100 -0.086 0.000 1.258 287 Y CB -0.771 37.544 38.460 -0.240 0.000 0.979 287 Y HN -0.123 nan 8.280 nan 0.000 0.549 288 F N 0.320 120.338 119.950 0.114 0.000 2.765 288 F HA 0.378 4.904 4.527 -0.001 0.000 0.302 288 F C 1.464 177.281 175.800 0.028 0.000 1.111 288 F CA 0.017 58.029 58.000 0.020 0.000 1.359 288 F CB -0.724 38.354 39.000 0.129 0.000 1.097 288 F HN 0.030 nan 8.300 nan 0.000 0.577 289 A N 0.654 123.584 122.820 0.183 0.000 2.531 289 A HA 0.347 4.667 4.320 -0.001 0.000 0.236 289 A C 0.767 178.395 177.584 0.074 0.000 1.062 289 A CA 0.071 52.202 52.037 0.157 0.000 0.760 289 A CB -0.140 18.989 19.000 0.214 0.000 0.995 289 A HN 0.320 nan 8.150 nan 0.000 0.501 290 S N 1.465 117.200 115.700 0.058 0.000 2.645 290 S HA 0.247 4.716 4.470 -0.001 0.000 0.266 290 S C 0.703 175.292 174.600 -0.017 0.000 1.258 290 S CA 0.075 58.282 58.200 0.012 0.000 0.990 290 S CB 0.781 63.993 63.200 0.021 0.000 0.967 290 S HN 0.708 nan 8.310 nan 0.000 0.556 291 E N 0.469 120.642 120.200 -0.045 0.000 2.118 291 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 291 E C 1.136 177.712 176.600 -0.040 0.000 0.992 291 E CA 1.531 57.893 56.400 -0.064 0.000 0.804 291 E CB -0.120 29.540 29.700 -0.066 0.000 0.741 291 E HN 0.626 nan 8.360 nan 0.000 0.458 292 D N 0.182 120.571 120.400 -0.017 0.000 2.219 292 D HA -0.147 4.493 4.640 -0.001 0.000 0.205 292 D C 1.662 177.966 176.300 0.008 0.000 0.970 292 D CA 0.815 54.812 54.000 -0.005 0.000 0.851 292 D CB 0.029 40.831 40.800 0.003 0.000 0.943 292 D HN 0.249 nan 8.370 nan 0.000 0.488 293 E N 0.085 120.296 120.200 0.018 0.000 2.285 293 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 293 E C 1.921 178.543 176.600 0.036 0.000 0.997 293 E CA 0.125 56.549 56.400 0.039 0.000 0.845 293 E CB 0.189 29.927 29.700 0.064 0.000 0.782 293 E HN 0.214 nan 8.360 nan 0.000 0.491 294 L N 0.344 121.566 121.223 -0.001 0.000 2.558 294 L HA 0.147 4.487 4.340 -0.001 0.000 0.225 294 L C 0.981 177.824 176.870 -0.045 0.000 1.128 294 L CA -0.137 54.678 54.840 -0.042 0.000 0.868 294 L CB -0.016 41.955 42.059 -0.148 0.000 1.006 294 L HN -0.099 nan 8.230 nan 0.000 0.454 295 R N 0.600 121.086 120.500 -0.024 0.000 2.522 295 R HA 0.206 4.545 4.340 -0.001 0.000 0.284 295 R C 1.132 177.440 176.300 0.013 0.000 1.032 295 R CA 1.079 57.171 56.100 -0.013 0.000 1.049 295 R CB 0.263 30.558 30.300 -0.008 0.000 0.956 295 R HN 0.279 nan 8.270 nan 0.000 0.422 296 G N 2.572 111.384 108.800 0.020 0.000 2.157 296 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.248 296 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.248 296 G C -0.279 174.664 174.900 0.072 0.000 0.979 296 G CA -0.424 44.700 45.100 0.041 0.000 0.650 296 G HN 0.364 nan 8.290 nan 0.000 0.529 297 L N 2.270 123.548 121.223 0.090 0.000 2.461 297 L HA 0.400 4.740 4.340 -0.001 0.000 0.272 297 L C -0.496 176.493 176.870 0.198 0.000 1.197 297 L CA -1.664 53.282 54.840 0.176 0.000 0.836 297 L CB -0.209 41.990 42.059 0.233 0.000 1.105 297 L HN 0.110 nan 8.230 nan 0.000 0.477 298 P HA 0.192 nan 4.420 nan 0.000 0.272 298 P C -2.688 174.803 177.300 0.319 0.000 1.254 298 P CA -1.232 61.990 63.100 0.204 0.000 0.795 298 P CB -0.429 31.357 31.700 0.143 0.000 1.022 299 P HA 0.213 nan 4.420 nan 0.000 0.269 299 P C -0.749 176.838 177.300 0.479 0.000 1.215 299 P CA 0.662 63.967 63.100 0.341 0.000 0.780 299 P CB 0.132 31.994 31.700 0.271 0.000 0.898 300 F N 0.450 120.506 119.950 0.177 0.000 2.577 300 F HA 0.476 5.003 4.527 -0.000 0.000 0.318 300 F C -0.307 175.372 175.800 -0.203 0.000 1.065 300 F CA -0.683 57.348 58.000 0.052 0.000 0.929 300 F CB 1.676 40.691 39.000 0.024 0.000 1.237 300 F HN -0.071 nan 8.300 nan 0.000 0.468 301 V N 3.192 122.840 119.914 -0.443 0.000 2.604 301 V HA 0.606 4.725 4.120 -0.001 0.000 0.305 301 V C -0.994 174.842 176.094 -0.430 0.000 1.043 301 V CA -0.866 61.057 62.300 -0.628 0.000 0.888 301 V CB 2.044 33.062 31.823 -1.342 0.000 0.995 301 V HN 0.459 nan 8.190 nan 0.000 0.429 302 V N 3.665 123.452 119.914 -0.210 0.000 2.409 302 V HA 0.811 4.931 4.120 -0.001 0.000 0.291 302 V C 0.158 176.201 176.094 -0.085 0.000 1.020 302 V CA -0.437 61.825 62.300 -0.063 0.000 0.848 302 V CB 1.594 33.480 31.823 0.105 0.000 0.990 302 V HN 0.997 nan 8.190 nan 0.000 0.430 303 A N 4.857 127.653 122.820 -0.040 0.000 2.331 303 A HA 0.911 5.231 4.320 -0.001 0.000 0.320 303 A C -0.892 176.736 177.584 0.073 0.000 1.138 303 A CA -0.520 51.539 52.037 0.036 0.000 0.790 303 A CB 1.783 20.860 19.000 0.129 0.000 1.206 303 A HN 0.635 nan 8.150 nan 0.000 0.470 304 V N 2.094 122.049 119.914 0.067 0.000 3.074 304 V HA 0.501 4.620 4.120 -0.001 0.000 0.314 304 V C -0.812 175.322 176.094 0.065 0.000 1.117 304 V CA -0.879 61.468 62.300 0.078 0.000 1.014 304 V CB 2.629 34.498 31.823 0.078 0.000 1.057 304 V HN 0.976 nan 8.190 nan 0.000 0.438 305 N N 1.132 119.877 118.700 0.076 0.000 2.417 305 N HA 0.346 5.086 4.740 -0.001 0.000 0.300 305 N C 0.660 176.202 175.510 0.054 0.000 1.102 305 N CA -0.455 52.630 53.050 0.058 0.000 0.886 305 N CB 1.831 40.358 38.487 0.067 0.000 1.203 305 N HN 0.805 nan 8.380 nan 0.000 0.496 306 E N 1.403 121.616 120.200 0.023 0.000 2.072 306 E HA -0.048 4.302 4.350 -0.001 0.000 0.191 306 E C 0.164 176.781 176.600 0.027 0.000 0.985 306 E CA 1.022 57.431 56.400 0.015 0.000 0.801 306 E CB 0.109 29.799 29.700 -0.015 0.000 0.750 306 E HN 0.492 nan 8.360 nan 0.000 0.452 307 L N 1.750 122.979 121.223 0.011 0.000 2.928 307 L HA 0.240 4.579 4.340 -0.001 0.000 0.236 307 L C -0.018 176.973 176.870 0.202 0.000 1.290 307 L CA -0.418 54.471 54.840 0.082 0.000 1.099 307 L CB 0.110 42.066 42.059 -0.172 0.000 1.437 307 L HN 0.017 nan 8.230 nan 0.000 0.493 308 D N 0.773 121.264 120.400 0.152 0.000 2.278 308 D HA 0.241 4.881 4.640 -0.001 0.000 0.245 308 D C -1.693 174.660 176.300 0.088 0.000 1.052 308 D CA -2.187 51.923 54.000 0.184 0.000 0.834 308 D CB 2.563 43.496 40.800 0.221 0.000 1.194 308 D HN -0.185 nan 8.370 nan 0.000 0.481 309 P HA -0.086 nan 4.420 nan 0.000 0.219 309 P C 1.415 178.706 177.300 -0.015 0.000 1.146 309 P CA 0.739 63.822 63.100 -0.028 0.000 0.808 309 P CB 0.412 32.070 31.700 -0.071 0.000 0.779 310 L N -1.137 120.087 121.223 0.001 0.000 2.599 310 L HA 0.100 4.440 4.340 -0.001 0.000 0.230 310 L C 2.904 179.811 176.870 0.062 0.000 1.141 310 L CA 0.163 55.022 54.840 0.031 0.000 0.877 310 L CB -0.671 41.424 42.059 0.059 0.000 1.009 310 L HN -0.073 nan 8.230 nan 0.000 0.447 311 R N 0.918 121.458 120.500 0.066 0.000 2.112 311 R HA -0.223 4.116 4.340 -0.001 0.000 0.242 311 R C 1.598 177.932 176.300 0.058 0.000 1.137 311 R CA 2.298 58.439 56.100 0.070 0.000 0.944 311 R CB -0.052 30.281 30.300 0.056 0.000 0.857 311 R HN 0.283 nan 8.270 nan 0.000 0.435 312 D N -0.129 120.292 120.400 0.035 0.000 2.224 312 D HA -0.149 4.490 4.640 -0.001 0.000 0.205 312 D C 1.785 178.114 176.300 0.049 0.000 0.965 312 D CA 1.358 55.381 54.000 0.038 0.000 0.852 312 D CB -0.129 40.684 40.800 0.022 0.000 0.947 312 D HN 0.591 nan 8.370 nan 0.000 0.494 313 E N 0.163 120.363 120.200 0.001 0.000 2.208 313 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 313 E C 2.072 178.761 176.600 0.147 0.000 0.988 313 E CA 1.150 57.545 56.400 -0.008 0.000 0.828 313 E CB -0.428 29.109 29.700 -0.272 0.000 0.763 313 E HN 0.176 nan 8.360 nan 0.000 0.478 314 G N 1.753 110.629 108.800 0.126 0.000 2.394 314 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.215 314 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.215 314 G C 1.629 176.643 174.900 0.190 0.000 1.165 314 G CA 0.695 45.901 45.100 0.176 0.000 0.784 314 G HN 0.203 nan 8.290 nan 0.000 0.535 315 I N 1.357 122.004 120.570 0.128 0.000 2.202 315 I HA -0.158 4.012 4.170 -0.001 0.000 0.242 315 I C 3.309 179.487 176.117 0.102 0.000 1.091 315 I CA 0.931 62.287 61.300 0.094 0.000 1.368 315 I CB -0.197 37.842 38.000 0.065 0.000 1.058 315 I HN 0.238 nan 8.210 nan 0.000 0.410 316 A N 0.651 123.557 122.820 0.142 0.000 1.917 316 A HA -0.298 4.021 4.320 -0.001 0.000 0.219 316 A C 2.240 179.901 177.584 0.130 0.000 1.182 316 A CA 1.761 53.886 52.037 0.146 0.000 0.633 316 A CB -1.079 18.086 19.000 0.274 0.000 0.819 316 A HN 0.463 nan 8.150 nan 0.000 0.448 317 F N 0.855 120.842 119.950 0.062 0.000 2.134 317 F HA -0.069 4.457 4.527 -0.001 0.000 0.299 317 F C 2.539 178.306 175.800 -0.055 0.000 1.097 317 F CA 1.114 59.114 58.000 -0.001 0.000 1.264 317 F CB -0.501 38.530 39.000 0.052 0.000 1.001 317 F HN 0.251 nan 8.300 nan 0.000 0.479 318 A N 0.630 123.425 122.820 -0.042 0.000 1.902 318 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 318 A C 2.344 179.818 177.584 -0.183 0.000 1.181 318 A CA 1.655 53.605 52.037 -0.146 0.000 0.623 318 A CB -0.697 18.293 19.000 -0.018 0.000 0.818 318 A HN 0.446 nan 8.150 nan 0.000 0.443 319 R N -1.098 119.333 120.500 -0.116 0.000 2.120 319 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 319 R C 2.425 178.627 176.300 -0.163 0.000 1.123 319 R CA 1.414 57.449 56.100 -0.109 0.000 0.975 319 R CB -0.258 30.006 30.300 -0.061 0.000 0.866 319 R HN 0.540 nan 8.270 nan 0.000 0.446 320 R N 0.911 121.272 120.500 -0.232 0.000 2.119 320 R HA 0.010 4.350 4.340 -0.001 0.000 0.222 320 R C 2.183 178.280 176.300 -0.339 0.000 1.088 320 R CA 0.586 56.530 56.100 -0.260 0.000 0.984 320 R CB -0.023 30.118 30.300 -0.266 0.000 0.884 320 R HN 0.155 nan 8.270 nan 0.000 0.447 321 L N 0.164 121.087 121.223 -0.501 0.000 2.046 321 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 321 L C 2.611 179.319 176.870 -0.270 0.000 1.077 321 L CA 1.455 56.006 54.840 -0.482 0.000 0.747 321 L CB -0.474 41.212 42.059 -0.621 0.000 0.896 321 L HN 0.286 nan 8.230 nan 0.000 0.432 322 A N 0.020 122.714 122.820 -0.209 0.000 1.898 322 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 322 A C 2.355 179.877 177.584 -0.104 0.000 1.181 322 A CA 1.250 53.212 52.037 -0.125 0.000 0.620 322 A CB -0.417 18.526 19.000 -0.095 0.000 0.819 322 A HN 0.325 nan 8.150 nan 0.000 0.442 323 R N -0.329 120.102 120.500 -0.116 0.000 2.096 323 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 323 R C 2.138 178.385 176.300 -0.088 0.000 1.127 323 R CA 1.189 57.235 56.100 -0.091 0.000 0.968 323 R CB -0.508 29.739 30.300 -0.089 0.000 0.861 323 R HN 0.464 nan 8.270 nan 0.000 0.440 324 A N 0.443 123.194 122.820 -0.115 0.000 2.248 324 A HA 0.126 4.446 4.320 -0.001 0.000 0.210 324 A C 1.459 179.000 177.584 -0.073 0.000 1.174 324 A CA 0.904 52.883 52.037 -0.096 0.000 0.750 324 A CB -0.463 18.461 19.000 -0.128 0.000 0.780 324 A HN 0.523 nan 8.150 nan 0.000 0.478 325 G N -1.778 106.982 108.800 -0.066 0.000 2.148 325 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.254 325 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.254 325 G C 0.187 175.068 174.900 -0.032 0.000 0.981 325 G CA 0.216 45.292 45.100 -0.040 0.000 0.670 325 G HN 0.780 nan 8.290 nan 0.000 0.528 326 V N 0.975 120.853 119.914 -0.059 0.000 2.649 326 V HA 0.330 4.450 4.120 -0.001 0.000 0.292 326 V C 0.367 176.461 176.094 0.000 0.000 1.055 326 V CA -0.678 61.605 62.300 -0.028 0.000 1.023 326 V CB 1.502 33.265 31.823 -0.100 0.000 0.992 326 V HN 0.239 nan 8.190 nan 0.000 0.480 327 D N 3.502 123.938 120.400 0.060 0.000 2.359 327 D HA 0.306 4.946 4.640 -0.001 0.000 0.250 327 D C -0.314 176.049 176.300 0.105 0.000 1.264 327 D CA 0.326 54.371 54.000 0.075 0.000 0.911 327 D CB 0.933 41.795 40.800 0.103 0.000 1.056 327 D HN 0.318 nan 8.370 nan 0.000 0.499 328 V N 0.311 120.255 119.914 0.050 0.000 2.680 328 V HA 0.855 4.974 4.120 -0.001 0.000 0.309 328 V C 0.095 176.204 176.094 0.025 0.000 1.052 328 V CA -1.229 61.101 62.300 0.050 0.000 0.908 328 V CB 1.849 33.654 31.823 -0.030 0.000 1.001 328 V HN 0.479 nan 8.190 nan 0.000 0.431 329 A N 2.456 125.279 122.820 0.005 0.000 2.355 329 A HA 0.998 5.318 4.320 -0.001 0.000 0.317 329 A C -0.227 177.326 177.584 -0.053 0.000 1.094 329 A CA -0.261 51.767 52.037 -0.016 0.000 0.764 329 A CB 1.609 20.608 19.000 -0.001 0.000 1.230 329 A HN 1.776 nan 8.150 nan 0.000 0.448 330 A N 2.444 125.245 122.820 -0.032 0.000 2.386 330 A HA 0.891 5.211 4.320 -0.001 0.000 0.311 330 A C -0.248 177.330 177.584 -0.011 0.000 1.068 330 A CA -0.782 51.237 52.037 -0.028 0.000 0.743 330 A CB 1.141 20.135 19.000 -0.009 0.000 1.258 330 A HN 1.193 nan 8.150 nan 0.000 0.429 331 R N 0.546 121.044 120.500 -0.004 0.000 2.771 331 R HA 0.766 5.106 4.340 -0.001 0.000 0.274 331 R C -1.892 174.424 176.300 0.028 0.000 0.987 331 R CA -0.768 55.342 56.100 0.016 0.000 0.908 331 R CB 1.665 31.980 30.300 0.026 0.000 1.213 331 R HN 0.303 nan 8.270 nan 0.000 0.468 332 V N 2.229 122.161 119.914 0.030 0.000 2.370 332 V HA 0.278 4.397 4.120 -0.001 0.000 0.283 332 V C -0.651 175.461 176.094 0.030 0.000 1.023 332 V CA -0.994 61.325 62.300 0.032 0.000 0.857 332 V CB 1.499 33.338 31.823 0.028 0.000 0.985 332 V HN 0.667 nan 8.190 nan 0.000 0.443 333 N N 4.866 123.585 118.700 0.031 0.000 2.439 333 N HA 0.385 5.125 4.740 -0.001 0.000 0.249 333 N C -0.315 175.200 175.510 0.009 0.000 1.003 333 N CA -0.509 52.557 53.050 0.027 0.000 0.942 333 N CB 1.179 39.687 38.487 0.035 0.000 1.115 333 N HN 0.435 nan 8.380 nan 0.000 0.505 334 I N 0.847 121.419 120.570 0.002 0.000 2.648 334 I HA 0.065 4.235 4.170 -0.001 0.000 0.284 334 I C 1.595 177.687 176.117 -0.041 0.000 1.153 334 I CA 0.625 61.915 61.300 -0.016 0.000 1.426 334 I CB -0.051 37.945 38.000 -0.007 0.000 1.381 334 I HN 0.795 nan 8.210 nan 0.000 0.571 335 G N 5.639 114.388 108.800 -0.086 0.000 2.143 335 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.249 335 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.249 335 G C -0.034 174.753 174.900 -0.188 0.000 0.981 335 G CA -0.329 44.681 45.100 -0.150 0.000 0.665 335 G HN 0.466 nan 8.290 nan 0.000 0.528 336 L N 1.117 122.260 121.223 -0.134 0.000 2.333 336 L HA 0.647 4.987 4.340 -0.001 0.000 0.280 336 L C 1.219 178.055 176.870 -0.056 0.000 1.004 336 L CA -1.369 53.424 54.840 -0.079 0.000 0.820 336 L CB 1.779 43.830 42.059 -0.013 0.000 1.247 336 L HN 0.201 nan 8.230 nan 0.000 0.416 337 V N -0.560 119.340 119.914 -0.023 0.000 3.441 337 V HA 0.160 4.280 4.120 -0.001 0.000 0.300 337 V C 0.374 176.608 176.094 0.234 0.000 1.091 337 V CA -0.531 61.856 62.300 0.145 0.000 1.099 337 V CB 0.351 32.319 31.823 0.242 0.000 1.138 337 V HN 0.777 nan 8.190 nan 0.000 0.471 338 H N 1.225 120.457 119.070 0.271 0.000 3.094 338 H HA 0.356 4.911 4.556 -0.001 0.000 0.320 338 H C 1.358 176.884 175.328 0.329 0.000 1.000 338 H CA 1.616 57.819 56.048 0.259 0.000 1.413 338 H CB 0.051 29.964 29.762 0.251 0.000 1.405 338 H HN 1.581 nan 8.280 nan 0.000 0.586 339 G N 2.616 111.262 108.800 -0.258 0.000 2.166 339 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.260 339 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.260 339 G C 1.257 176.159 174.900 0.003 0.000 0.986 339 G CA 0.653 45.663 45.100 -0.149 0.000 0.683 339 G HN 1.000 nan 8.290 nan 0.000 0.527 340 A N 0.871 123.745 122.820 0.089 0.000 1.930 340 A HA 0.101 4.421 4.320 -0.001 0.000 0.217 340 A C 2.099 179.758 177.584 0.124 0.000 1.175 340 A CA 2.227 54.389 52.037 0.209 0.000 0.627 340 A CB -0.352 18.739 19.000 0.151 0.000 0.815 340 A HN 0.754 nan 8.150 nan 0.000 0.443 341 D N 0.009 120.422 120.400 0.023 0.000 2.317 341 D HA -0.086 4.553 4.640 -0.001 0.000 0.211 341 D C 1.573 177.843 176.300 -0.049 0.000 0.966 341 D CA 1.464 55.469 54.000 0.009 0.000 0.876 341 D CB -0.712 40.082 40.800 -0.009 0.000 0.927 341 D HN 0.567 nan 8.370 nan 0.000 0.519 342 V N -2.271 117.555 119.914 -0.146 0.000 3.085 342 V HA 0.240 4.360 4.120 -0.001 0.000 0.245 342 V C 2.133 178.103 176.094 -0.206 0.000 1.114 342 V CA 0.096 62.277 62.300 -0.199 0.000 1.108 342 V CB -0.436 31.154 31.823 -0.388 0.000 0.798 342 V HN 0.090 nan 8.190 nan 0.000 0.471 343 I N -0.821 119.587 120.570 -0.271 0.000 2.494 343 I HA 0.129 4.298 4.170 -0.001 0.000 0.250 343 I C 1.571 177.434 176.117 -0.425 0.000 1.112 343 I CA 1.409 62.403 61.300 -0.510 0.000 1.438 343 I CB -0.016 37.547 38.000 -0.728 0.000 1.111 343 I HN 0.256 nan 8.210 nan 0.000 0.431 344 F N 1.719 121.695 119.950 0.044 0.000 2.668 344 F HA 0.211 4.738 4.527 -0.000 0.000 0.297 344 F C 2.030 178.005 175.800 0.292 0.000 1.124 344 F CA -0.550 57.578 58.000 0.215 0.000 1.353 344 F CB -0.561 38.460 39.000 0.036 0.000 0.992 344 F HN -0.025 nan 8.300 nan 0.000 0.524 345 R N -0.223 120.435 120.500 0.263 0.000 2.165 345 R HA -0.354 3.985 4.340 -0.001 0.000 0.254 345 R C 1.746 178.155 176.300 0.181 0.000 1.153 345 R CA 2.577 58.784 56.100 0.179 0.000 0.971 345 R CB -1.508 28.850 30.300 0.096 0.000 0.878 345 R HN 0.403 nan 8.270 nan 0.000 0.449 346 H N -0.334 118.799 119.070 0.104 0.000 2.421 346 H HA -0.111 4.445 4.556 -0.000 0.000 0.298 346 H C 1.335 176.499 175.328 -0.273 0.000 1.087 346 H CA 2.049 57.979 56.048 -0.196 0.000 1.330 346 H CB -0.122 29.326 29.762 -0.522 0.000 1.388 346 H HN 0.384 nan 8.280 nan 0.000 0.526 347 W N -0.367 120.946 121.300 0.022 0.000 3.077 347 W HA 0.212 4.871 4.660 -0.001 0.000 0.266 347 W C -0.048 176.445 176.519 -0.042 0.000 1.300 347 W CA 0.095 57.412 57.345 -0.047 0.000 1.586 347 W CB 0.540 30.014 29.460 0.024 0.000 1.103 347 W HN 0.138 nan 8.180 nan 0.000 0.652 348 L N 1.582 122.918 121.223 0.189 0.000 2.783 348 L HA 0.167 4.507 4.340 -0.001 0.000 0.265 348 L C -1.323 175.586 176.870 0.067 0.000 1.398 348 L CA -1.163 53.751 54.840 0.122 0.000 0.802 348 L CB 0.713 42.865 42.059 0.155 0.000 1.126 348 L HN -0.363 nan 8.230 nan 0.000 0.529 349 P HA -0.195 nan 4.420 nan 0.000 0.216 349 P C 1.412 178.724 177.300 0.021 0.000 1.150 349 P CA 1.404 64.507 63.100 0.006 0.000 0.837 349 P CB 0.496 32.178 31.700 -0.031 0.000 0.786 350 A N 0.293 123.125 122.820 0.021 0.000 1.929 350 A HA 0.074 4.393 4.320 -0.001 0.000 0.216 350 A C 2.479 180.085 177.584 0.037 0.000 1.176 350 A CA 1.724 53.775 52.037 0.025 0.000 0.628 350 A CB -1.399 17.613 19.000 0.020 0.000 0.816 350 A HN 0.216 nan 8.150 nan 0.000 0.444 351 A N -0.026 122.819 122.820 0.042 0.000 1.877 351 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 351 A C 2.155 179.773 177.584 0.057 0.000 1.186 351 A CA 1.559 53.624 52.037 0.047 0.000 0.620 351 A CB -0.633 18.396 19.000 0.047 0.000 0.822 351 A HN 0.508 nan 8.150 nan 0.000 0.443 352 L N 0.139 121.400 121.223 0.064 0.000 2.012 352 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 352 L C 2.325 179.248 176.870 0.089 0.000 1.073 352 L CA 2.848 57.738 54.840 0.084 0.000 0.748 352 L CB -1.079 41.031 42.059 0.084 0.000 0.891 352 L HN 0.704 nan 8.230 nan 0.000 0.431 353 E N -0.713 119.522 120.200 0.059 0.000 2.070 353 E HA -0.281 4.069 4.350 -0.001 0.000 0.197 353 E C 2.243 178.877 176.600 0.057 0.000 1.004 353 E CA 1.841 58.270 56.400 0.047 0.000 0.805 353 E CB -0.034 29.683 29.700 0.029 0.000 0.744 353 E HN 0.532 nan 8.360 nan 0.000 0.451 354 S N -0.861 114.875 115.700 0.060 0.000 2.368 354 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 354 S C 1.992 176.646 174.600 0.090 0.000 1.030 354 S CA 1.880 60.120 58.200 0.068 0.000 0.999 354 S CB -0.387 62.851 63.200 0.062 0.000 0.844 354 S HN 0.355 nan 8.310 nan 0.000 0.459 355 T N 1.557 116.174 114.554 0.104 0.000 2.821 355 T HA -0.005 4.345 4.350 -0.001 0.000 0.267 355 T C 1.832 176.637 174.700 0.175 0.000 1.046 355 T CA 1.301 63.482 62.100 0.136 0.000 1.139 355 T CB -0.398 68.535 68.868 0.108 0.000 0.871 355 T HN 0.268 nan 8.240 nan 0.000 0.454 356 V N 1.817 121.832 119.914 0.168 0.000 2.332 356 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 356 V C 2.593 178.683 176.094 -0.006 0.000 1.055 356 V CA 2.003 64.323 62.300 0.033 0.000 1.038 356 V CB -0.619 31.193 31.823 -0.019 0.000 0.651 356 V HN 0.408 nan 8.190 nan 0.000 0.450 357 R N 0.105 120.625 120.500 0.033 0.000 2.075 357 R HA -0.191 4.148 4.340 -0.001 0.000 0.232 357 R C 2.078 178.420 176.300 0.069 0.000 1.126 357 R CA 2.125 58.248 56.100 0.037 0.000 0.963 357 R CB -0.446 29.882 30.300 0.047 0.000 0.858 357 R HN 0.511 nan 8.270 nan 0.000 0.435 358 D N -0.324 120.135 120.400 0.098 0.000 2.097 358 D HA -0.107 4.533 4.640 -0.001 0.000 0.197 358 D C 1.890 178.280 176.300 0.151 0.000 0.984 358 D CA 1.322 55.426 54.000 0.174 0.000 0.826 358 D CB 0.083 41.033 40.800 0.251 0.000 0.973 358 D HN 0.108 nan 8.370 nan 0.000 0.460 359 V N 0.705 120.578 119.914 -0.068 0.000 2.358 359 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 359 V C 2.491 178.588 176.094 0.005 0.000 1.047 359 V CA 1.702 63.871 62.300 -0.217 0.000 1.035 359 V CB -0.768 30.848 31.823 -0.346 0.000 0.658 359 V HN 0.269 nan 8.190 nan 0.000 0.452 360 A N 0.430 123.224 122.820 -0.042 0.000 1.930 360 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 360 A C 2.368 179.975 177.584 0.039 0.000 1.175 360 A CA 1.794 53.811 52.037 -0.034 0.000 0.627 360 A CB -0.997 17.956 19.000 -0.079 0.000 0.815 360 A HN 0.522 nan 8.150 nan 0.000 0.443 361 G N -1.402 107.450 108.800 0.085 0.000 2.403 361 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.216 361 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.216 361 G C 1.410 176.406 174.900 0.160 0.000 1.154 361 G CA 0.976 46.138 45.100 0.103 0.000 0.784 361 G HN 0.449 nan 8.290 nan 0.000 0.538 362 F N 2.642 122.649 119.950 0.095 0.000 2.069 362 F HA -0.020 4.507 4.527 -0.001 0.000 0.298 362 F C 2.784 178.638 175.800 0.089 0.000 1.113 362 F CA 1.385 59.466 58.000 0.134 0.000 1.214 362 F CB -0.513 38.653 39.000 0.277 0.000 0.978 362 F HN 0.228 nan 8.300 nan 0.000 0.474 363 A N 0.589 123.438 122.820 0.049 0.000 1.892 363 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 363 A C 2.462 179.984 177.584 -0.104 0.000 1.188 363 A CA 2.443 54.436 52.037 -0.072 0.000 0.631 363 A CB -1.713 17.296 19.000 0.016 0.000 0.822 363 A HN 0.579 nan 8.150 nan 0.000 0.447 364 A N -0.347 122.445 122.820 -0.047 0.000 1.902 364 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 364 A C 1.794 179.340 177.584 -0.064 0.000 1.181 364 A CA 1.957 53.968 52.037 -0.042 0.000 0.623 364 A CB -0.610 18.383 19.000 -0.013 0.000 0.818 364 A HN 0.481 nan 8.150 nan 0.000 0.443 365 D N -0.646 119.709 120.400 -0.075 0.000 2.144 365 D HA -0.093 4.546 4.640 -0.001 0.000 0.200 365 D C 2.140 178.352 176.300 -0.146 0.000 0.978 365 D CA 0.768 54.721 54.000 -0.080 0.000 0.833 365 D CB -0.246 40.530 40.800 -0.040 0.000 0.961 365 D HN 0.270 nan 8.370 nan 0.000 0.470 366 R N 0.601 120.938 120.500 -0.271 0.000 2.115 366 R HA 0.094 4.434 4.340 -0.001 0.000 0.226 366 R C 2.072 178.289 176.300 -0.139 0.000 1.100 366 R CA 0.767 56.713 56.100 -0.256 0.000 0.980 366 R CB -0.504 29.545 30.300 -0.418 0.000 0.875 366 R HN 0.114 nan 8.270 nan 0.000 0.445 367 A N 1.220 123.974 122.820 -0.110 0.000 1.897 367 A HA -0.142 4.178 4.320 -0.001 0.000 0.215 367 A C 2.283 179.838 177.584 -0.048 0.000 1.181 367 A CA 1.197 53.196 52.037 -0.064 0.000 0.620 367 A CB -0.413 18.558 19.000 -0.048 0.000 0.821 367 A HN 0.203 nan 8.150 nan 0.000 0.443 368 R N -0.380 120.091 120.500 -0.048 0.000 2.083 368 R HA -0.062 4.278 4.340 -0.001 0.000 0.237 368 R C 1.406 177.689 176.300 -0.029 0.000 1.137 368 R CA 1.792 57.873 56.100 -0.032 0.000 0.951 368 R CB -0.313 29.972 30.300 -0.025 0.000 0.851 368 R HN 0.499 nan 8.270 nan 0.000 0.434 369 L N 0.999 122.199 121.223 -0.037 0.000 2.607 369 L HA 0.147 4.486 4.340 -0.001 0.000 0.228 369 L C 0.907 177.762 176.870 -0.024 0.000 1.123 369 L CA -0.370 54.454 54.840 -0.026 0.000 0.890 369 L CB -0.047 41.997 42.059 -0.025 0.000 1.103 369 L HN 0.211 nan 8.230 nan 0.000 0.468 370 R N 0.000 120.482 120.500 -0.030 0.000 2.786 370 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 370 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 370 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 370 R HN 0.000 nan 8.270 nan 0.000 0.535