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 2p82_1_D DATA FIRST_RESID 26 DATA SEQUENCE DELVWILGKQ HLLKTEKSKL LSDISARLWF TYRRKFSPIG GTGPSSDAGW DATA SEQUENCE GCMLRCGQMM LAQALICRHL GRDWSWXKXX EQPKEYQRIL QCFLDRKDCC DATA SEQUENCE YSIHQMAQMG VGEGKSIGEW FGPNTVAQVL KKLALFDEWN SLAVYVSMDN DATA SEQUENCE TVVIEDIKKM CRVLPXXXXX XXXXXXXXXX XXXXXXXXXX XXXAWKPLLL DATA SEQUENCE IVPLRLGINQ INPVYVDAFK ECFKMPQSLG ALGGKPNNAY YFIGFLGDEL DATA SEQUENCE IFLDPHTTQT FVDTEENGTV NDQTFHCLQS PQRMNILNLD PSVALGFFCK DATA SEQUENCE EEKDFDNWCS LVQKEILKEN LRMFELVQKH PS 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.278 176.300 -0.037 0.000 2.045 26 D CA 0.000 53.980 54.000 -0.033 0.000 0.868 26 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 27 E N 0.578 120.754 120.200 -0.040 0.000 2.349 27 E HA 0.378 4.728 4.350 -0.000 0.000 0.265 27 E C -0.125 176.430 176.600 -0.075 0.000 1.064 27 E CA -0.922 55.453 56.400 -0.041 0.000 0.886 27 E CB 1.621 31.302 29.700 -0.032 0.000 1.036 27 E HN 0.229 nan 8.360 nan 0.000 0.413 28 L N 2.668 123.841 121.223 -0.083 0.000 2.319 28 L HA 0.165 4.505 4.340 -0.000 0.000 0.280 28 L C -1.093 175.638 176.870 -0.232 0.000 1.099 28 L CA -0.062 54.677 54.840 -0.169 0.000 0.828 28 L CB 0.926 42.898 42.059 -0.144 0.000 1.150 28 L HN 0.246 nan 8.230 nan 0.000 0.442 29 V N 4.871 124.601 119.914 -0.306 0.000 2.495 29 V HA 0.352 4.471 4.120 -0.000 0.000 0.298 29 V C -0.879 174.962 176.094 -0.422 0.000 1.031 29 V CA -0.590 61.529 62.300 -0.302 0.000 0.871 29 V CB 1.485 33.212 31.823 -0.159 0.000 0.988 29 V HN 0.724 nan 8.190 nan 0.000 0.432 30 W N 5.060 126.109 121.300 -0.419 0.000 2.391 30 W HA 0.700 5.360 4.660 -0.001 0.000 0.311 30 W C -0.477 176.000 176.519 -0.071 0.000 1.087 30 W CA -0.492 56.719 57.345 -0.224 0.000 1.209 30 W CB 1.321 30.648 29.460 -0.222 0.000 1.273 30 W HN 0.238 nan 8.180 nan 0.000 0.482 31 I N 5.567 126.304 120.570 0.277 0.000 2.439 31 I HA 0.167 4.337 4.170 -0.000 0.000 0.283 31 I C 0.178 176.499 176.117 0.339 0.000 1.023 31 I CA -1.139 60.321 61.300 0.266 0.000 1.100 31 I CB 1.205 39.336 38.000 0.218 0.000 1.238 31 I HN 0.515 nan 8.210 nan 0.000 0.445 32 L N 6.819 128.281 121.223 0.400 0.000 3.762 32 L HA -0.300 4.040 4.340 -0.000 0.000 0.460 32 L C 1.198 178.298 176.870 0.384 0.000 1.255 32 L CA 0.857 55.925 54.840 0.381 0.000 0.783 32 L CB -1.748 40.490 42.059 0.299 0.000 1.600 32 L HN 1.102 nan 8.230 nan 0.000 0.862 33 G N -1.249 107.836 108.800 0.474 0.000 2.159 33 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 33 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 33 G C 0.236 175.450 174.900 0.523 0.000 0.977 33 G CA 0.550 45.939 45.100 0.481 0.000 0.652 33 G HN 0.399 nan 8.290 nan 0.000 0.531 34 K N 0.640 121.285 120.400 0.408 0.000 2.324 34 K HA 0.396 4.715 4.320 -0.000 0.000 0.253 34 K C 0.317 176.691 176.600 -0.376 0.000 0.932 34 K CA -0.664 55.650 56.287 0.045 0.000 0.799 34 K CB 1.662 34.133 32.500 -0.048 0.000 1.154 34 K HN 0.577 nan 8.250 nan 0.000 0.425 35 Q N 2.546 121.834 119.800 -0.854 0.000 2.222 35 Q HA 0.393 4.732 4.340 -0.000 0.000 0.252 35 Q C -0.667 174.793 176.000 -0.901 0.000 0.926 35 Q CA -0.591 54.481 55.803 -1.219 0.000 0.899 35 Q CB 1.612 29.424 28.738 -1.543 0.000 1.250 35 Q HN 0.465 nan 8.270 nan 0.000 0.441 36 H N 1.550 120.351 119.070 -0.449 0.000 2.806 36 H HA 0.386 4.941 4.556 -0.000 0.000 0.367 36 H C -0.833 174.343 175.328 -0.254 0.000 1.136 36 H CA -0.790 55.093 56.048 -0.274 0.000 1.178 36 H CB 1.691 31.331 29.762 -0.203 0.000 1.718 36 H HN 0.575 nan 8.280 nan 0.000 0.540 37 L N 3.324 124.514 121.223 -0.054 0.000 2.281 37 L HA 0.006 4.346 4.340 -0.000 0.000 0.285 37 L C 1.682 178.515 176.870 -0.061 0.000 1.074 37 L CA -0.392 54.404 54.840 -0.074 0.000 0.817 37 L CB 0.964 42.984 42.059 -0.065 0.000 1.168 37 L HN 0.424 nan 8.230 nan 0.000 0.434 38 L N 4.403 125.582 121.223 -0.073 0.000 2.013 38 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 38 L C 2.138 178.966 176.870 -0.070 0.000 1.073 38 L CA 2.085 56.880 54.840 -0.076 0.000 0.753 38 L CB -0.317 41.700 42.059 -0.071 0.000 0.890 38 L HN 0.619 nan 8.230 nan 0.000 0.432 39 K N -2.326 118.040 120.400 -0.058 0.000 2.172 39 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 39 K C 1.935 178.505 176.600 -0.050 0.000 1.040 39 K CA 1.129 57.385 56.287 -0.052 0.000 0.974 39 K CB -0.300 32.174 32.500 -0.043 0.000 0.857 39 K HN 0.183 nan 8.250 nan 0.000 0.464 40 T N 1.700 116.226 114.554 -0.045 0.000 2.833 40 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 40 T C 0.740 175.415 174.700 -0.042 0.000 1.054 40 T CA 1.329 63.405 62.100 -0.041 0.000 1.135 40 T CB -0.017 68.829 68.868 -0.037 0.000 0.869 40 T HN 0.243 nan 8.240 nan 0.000 0.466 41 E N -0.058 120.115 120.200 -0.045 0.000 2.869 41 E HA 0.192 4.541 4.350 -0.000 0.000 0.207 41 E C 1.391 177.946 176.600 -0.075 0.000 0.986 41 E CA -0.240 56.136 56.400 -0.040 0.000 1.131 41 E CB 0.468 30.168 29.700 -0.000 0.000 1.098 41 E HN 0.226 nan 8.360 nan 0.000 0.459 42 K N 1.293 121.643 120.400 -0.084 0.000 2.020 42 K HA -0.228 4.091 4.320 -0.000 0.000 0.212 42 K C 2.169 178.690 176.600 -0.132 0.000 1.050 42 K CA 2.134 58.356 56.287 -0.108 0.000 0.929 42 K CB -0.075 32.373 32.500 -0.087 0.000 0.714 42 K HN 0.214 nan 8.250 nan 0.000 0.443 43 S N 0.393 116.029 115.700 -0.107 0.000 2.382 43 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 43 S C 1.874 176.394 174.600 -0.133 0.000 1.027 43 S CA 1.325 59.460 58.200 -0.109 0.000 0.991 43 S CB -0.201 62.947 63.200 -0.086 0.000 0.823 43 S HN 0.327 nan 8.310 nan 0.000 0.469 44 K N 0.545 120.868 120.400 -0.128 0.000 2.063 44 K HA -0.021 4.299 4.320 -0.000 0.000 0.208 44 K C 2.154 178.538 176.600 -0.360 0.000 1.048 44 K CA 1.406 57.610 56.287 -0.138 0.000 0.928 44 K CB -0.492 31.995 32.500 -0.021 0.000 0.713 44 K HN 0.376 nan 8.250 nan 0.000 0.442 45 L N 1.395 122.305 121.223 -0.522 0.000 1.994 45 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 45 L C 1.800 178.417 176.870 -0.422 0.000 1.071 45 L CA 1.680 56.044 54.840 -0.794 0.000 0.745 45 L CB -0.408 41.365 42.059 -0.477 0.000 0.892 45 L HN 0.130 nan 8.230 nan 0.000 0.431 46 L N -1.181 119.886 121.223 -0.261 0.000 2.141 46 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 46 L C 2.449 179.239 176.870 -0.133 0.000 1.094 46 L CA 1.093 55.827 54.840 -0.178 0.000 0.763 46 L CB -0.769 41.206 42.059 -0.140 0.000 0.908 46 L HN 0.242 nan 8.230 nan 0.000 0.437 47 S N -0.318 115.303 115.700 -0.132 0.000 2.368 47 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 47 S C 1.633 176.205 174.600 -0.046 0.000 1.029 47 S CA 1.410 59.565 58.200 -0.076 0.000 0.988 47 S CB -0.249 62.896 63.200 -0.092 0.000 0.838 47 S HN 0.436 nan 8.310 nan 0.000 0.462 48 D N 1.424 121.772 120.400 -0.087 0.000 2.123 48 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 48 D C 1.703 178.020 176.300 0.027 0.000 0.992 48 D CA 1.073 55.072 54.000 -0.003 0.000 0.833 48 D CB -0.272 40.548 40.800 0.033 0.000 0.954 48 D HN 0.373 nan 8.370 nan 0.000 0.455 49 I N -0.163 120.381 120.570 -0.043 0.000 2.202 49 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 49 I C 2.409 178.509 176.117 -0.028 0.000 1.091 49 I CA 0.766 62.039 61.300 -0.045 0.000 1.368 49 I CB -0.177 37.752 38.000 -0.118 0.000 1.058 49 I HN -0.078 nan 8.210 nan 0.000 0.410 50 S N 0.792 116.480 115.700 -0.020 0.000 2.399 50 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 50 S C 2.189 176.881 174.600 0.154 0.000 1.022 50 S CA 1.169 59.387 58.200 0.030 0.000 0.983 50 S CB -0.311 62.942 63.200 0.089 0.000 0.803 50 S HN 0.530 nan 8.310 nan 0.000 0.480 51 A N 1.198 124.129 122.820 0.186 0.000 2.019 51 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 51 A C 1.277 179.102 177.584 0.401 0.000 1.164 51 A CA 0.773 52.959 52.037 0.249 0.000 0.644 51 A CB -0.203 18.849 19.000 0.087 0.000 0.805 51 A HN 0.304 nan 8.150 nan 0.000 0.449 52 R N -0.468 120.186 120.500 0.256 0.000 2.590 52 R HA 0.359 4.699 4.340 -0.000 0.000 0.274 52 R C -0.392 175.905 176.300 -0.005 0.000 1.061 52 R CA -0.035 56.189 56.100 0.207 0.000 1.081 52 R CB 0.130 30.534 30.300 0.174 0.000 0.984 52 R HN 0.393 nan 8.270 nan 0.000 0.448 53 L N 3.630 124.802 121.223 -0.085 0.000 2.433 53 L HA 0.079 4.418 4.340 -0.000 0.000 0.275 53 L C -0.447 176.149 176.870 -0.456 0.000 1.128 53 L CA 0.172 54.748 54.840 -0.441 0.000 0.875 53 L CB 0.290 42.105 42.059 -0.407 0.000 1.171 53 L HN 0.563 nan 8.230 nan 0.000 0.463 54 W N 6.469 127.308 121.300 -0.768 0.000 2.376 54 W HA 0.474 5.134 4.660 -0.000 0.000 0.312 54 W C -1.462 174.653 176.519 -0.673 0.000 1.060 54 W CA -1.131 55.901 57.345 -0.522 0.000 1.221 54 W CB 0.867 30.132 29.460 -0.325 0.000 1.281 54 W HN 0.100 nan 8.180 nan 0.000 0.456 55 F N 4.968 124.760 119.950 -0.264 0.000 2.477 55 F HA 0.465 4.992 4.527 -0.000 0.000 0.335 55 F C 0.799 176.264 175.800 -0.559 0.000 1.130 55 F CA -0.792 56.997 58.000 -0.351 0.000 0.948 55 F CB 1.584 40.470 39.000 -0.190 0.000 1.154 55 F HN 0.227 nan 8.300 nan 0.000 0.439 56 T N -1.029 113.222 114.554 -0.505 0.000 2.949 56 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 56 T C -0.498 174.064 174.700 -0.231 0.000 1.034 56 T CA -0.782 60.997 62.100 -0.535 0.000 1.018 56 T CB 0.838 69.264 68.868 -0.737 0.000 1.135 56 T HN 0.192 nan 8.240 nan 0.000 0.532 57 Y N 1.328 121.485 120.300 -0.238 0.000 2.993 57 Y HA 0.244 4.794 4.550 -0.000 0.000 0.340 57 Y C 1.388 177.226 175.900 -0.104 0.000 1.273 57 Y CA -0.036 57.955 58.100 -0.181 0.000 1.545 57 Y CB 0.129 38.490 38.460 -0.164 0.000 1.275 57 Y HN 0.428 nan 8.280 nan 0.000 0.617 58 R N 2.307 122.914 120.500 0.178 0.000 2.888 58 R HA 0.657 4.997 4.340 -0.000 0.000 0.266 58 R C -0.528 175.820 176.300 0.080 0.000 1.020 58 R CA -1.171 55.053 56.100 0.207 0.000 0.963 58 R CB 2.881 33.418 30.300 0.396 0.000 1.197 58 R HN 0.875 nan 8.270 nan 0.000 0.481 59 R N -0.741 119.758 120.500 -0.000 0.000 2.799 59 R HA 0.481 4.820 4.340 -0.000 0.000 0.270 59 R C -0.713 175.498 176.300 -0.149 0.000 1.010 59 R CA -0.871 55.086 56.100 -0.238 0.000 0.916 59 R CB 1.397 31.605 30.300 -0.154 0.000 1.228 59 R HN 0.465 nan 8.270 nan 0.000 0.469 60 K N 0.146 120.388 120.400 -0.264 0.000 3.230 60 K HA -0.171 4.149 4.320 -0.000 0.000 0.285 60 K C -0.738 175.846 176.600 -0.027 0.000 1.196 60 K CA 1.200 57.428 56.287 -0.098 0.000 0.838 60 K CB -1.755 30.771 32.500 0.043 0.000 1.262 60 K HN 0.504 nan 8.250 nan 0.000 0.492 61 F N -0.955 118.942 119.950 -0.087 0.000 2.380 61 F HA 0.521 5.047 4.527 -0.000 0.000 0.319 61 F C 1.000 176.709 175.800 -0.151 0.000 1.113 61 F CA -1.367 56.423 58.000 -0.351 0.000 1.056 61 F CB 0.489 39.190 39.000 -0.499 0.000 1.289 61 F HN -0.131 nan 8.300 nan 0.000 0.515 62 S N 1.676 117.484 115.700 0.179 0.000 2.533 62 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 62 S C -2.420 172.398 174.600 0.363 0.000 1.304 62 S CA -1.101 57.208 58.200 0.183 0.000 1.063 62 S CB -0.249 62.993 63.200 0.071 0.000 0.881 62 S HN 0.400 nan 8.310 nan 0.000 0.493 63 P HA 0.047 nan 4.420 nan 0.000 0.262 63 P C -0.551 176.859 177.300 0.183 0.000 1.182 63 P CA 0.272 63.465 63.100 0.154 0.000 0.761 63 P CB 0.099 31.840 31.700 0.069 0.000 0.795 64 I N 2.598 123.245 120.570 0.129 0.000 2.598 64 I HA 0.087 4.257 4.170 -0.000 0.000 0.284 64 I C 1.579 177.730 176.117 0.057 0.000 1.140 64 I CA 0.683 62.019 61.300 0.061 0.000 1.420 64 I CB -0.467 37.518 38.000 -0.025 0.000 1.387 64 I HN 0.675 nan 8.210 nan 0.000 0.553 65 G N 4.427 113.267 108.800 0.066 0.000 2.179 65 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.257 65 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.257 65 G C 1.010 175.924 174.900 0.023 0.000 1.010 65 G CA 0.454 45.571 45.100 0.027 0.000 0.736 65 G HN 1.468 nan 8.290 nan 0.000 0.513 66 G N -1.771 107.054 108.800 0.041 0.000 2.640 66 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.226 66 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.226 66 G C 1.450 176.363 174.900 0.021 0.000 1.222 66 G CA 1.811 46.928 45.100 0.028 0.000 0.729 66 G HN 2.265 nan 8.290 nan 0.000 0.516 67 T N -0.594 113.966 114.554 0.010 0.000 3.040 67 T HA 0.598 4.948 4.350 -0.000 0.000 0.266 67 T C 1.405 176.101 174.700 -0.005 0.000 1.005 67 T CA 1.142 63.242 62.100 0.000 0.000 0.906 67 T CB 0.849 69.712 68.868 -0.008 0.000 1.082 67 T HN 1.435 nan 8.240 nan 0.000 0.531 68 G N 2.323 111.124 108.800 0.001 0.000 2.516 68 G HA2 0.543 4.503 3.960 -0.000 0.000 0.276 68 G HA3 0.543 4.503 3.960 -0.000 0.000 0.276 68 G C -2.606 172.305 174.900 0.018 0.000 1.390 68 G CA -1.451 43.644 45.100 -0.009 0.000 1.050 68 G HN 0.206 nan 8.290 nan 0.000 0.519 69 P HA 0.137 nan 4.420 nan 0.000 0.269 69 P C 0.463 177.807 177.300 0.074 0.000 1.209 69 P CA 0.085 63.245 63.100 0.100 0.000 0.776 69 P CB 1.196 33.081 31.700 0.308 0.000 0.876 70 S N -0.466 115.146 115.700 -0.146 0.000 2.554 70 S HA 0.297 4.766 4.470 -0.000 0.000 0.226 70 S C 0.437 174.280 174.600 -1.262 0.000 0.980 70 S CA -0.161 57.731 58.200 -0.513 0.000 0.939 70 S CB -0.177 62.845 63.200 -0.296 0.000 0.832 70 S HN 0.416 nan 8.310 nan 0.000 0.486 71 S N 1.437 116.704 115.700 -0.722 0.000 2.533 71 S HA 0.398 4.868 4.470 -0.000 0.000 0.271 71 S C -1.073 173.434 174.600 -0.155 0.000 1.143 71 S CA -0.475 57.368 58.200 -0.594 0.000 0.891 71 S CB 1.481 64.462 63.200 -0.366 0.000 1.105 71 S HN 0.339 nan 8.310 nan 0.000 0.468 72 D N 2.328 122.557 120.400 -0.286 0.000 2.363 72 D HA 0.218 4.858 4.640 -0.000 0.000 0.214 72 D C 0.735 176.270 176.300 -1.276 0.000 1.093 72 D CA -0.182 53.170 54.000 -1.080 0.000 0.837 72 D CB 0.009 40.128 40.800 -1.135 0.000 0.948 72 D HN 0.591 nan 8.370 nan 0.000 0.507 73 A N 0.546 122.788 122.820 -0.962 0.000 2.566 73 A HA 0.417 4.737 4.320 -0.000 0.000 0.245 73 A C 1.701 178.759 177.584 -0.876 0.000 1.056 73 A CA 0.874 52.102 52.037 -1.348 0.000 0.757 73 A CB -0.452 18.192 19.000 -0.593 0.000 0.979 73 A HN 0.745 nan 8.150 nan 0.000 0.508 74 G N 1.107 109.377 108.800 -0.884 0.000 2.199 74 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.254 74 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.254 74 G C 0.634 175.608 174.900 0.123 0.000 0.982 74 G CA 1.047 46.057 45.100 -0.151 0.000 0.632 74 G HN 1.861 nan 8.290 nan 0.000 0.529 75 W N -2.016 119.263 121.300 -0.035 0.000 2.166 75 W HA 0.370 5.030 4.660 -0.000 0.000 0.196 75 W C 1.238 177.880 176.519 0.205 0.000 0.895 75 W CA 0.602 58.027 57.345 0.134 0.000 1.069 75 W CB -0.318 29.170 29.460 0.046 0.000 0.798 75 W HN 0.611 nan 8.180 nan 0.000 0.647 76 G N 2.382 110.979 108.800 -0.339 0.000 3.088 76 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.212 76 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.212 76 G C 1.267 176.134 174.900 -0.056 0.000 1.173 76 G CA 1.119 45.996 45.100 -0.373 0.000 0.779 76 G HN 0.352 nan 8.290 nan 0.000 0.540 77 C N -1.270 118.132 119.300 0.170 0.000 2.425 77 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 77 C C 2.532 177.487 174.990 -0.059 0.000 1.280 77 C CA 1.090 60.070 59.018 -0.063 0.000 1.744 77 C CB -0.843 26.797 27.740 -0.167 0.000 1.989 77 C HN 0.351 nan 8.230 nan 0.000 0.491 78 M N 1.384 120.958 119.600 -0.042 0.000 2.175 78 M HA 0.100 4.580 4.480 -0.000 0.000 0.264 78 M C 2.039 178.213 176.300 -0.211 0.000 1.063 78 M CA 1.581 56.764 55.300 -0.194 0.000 1.119 78 M CB -0.844 31.413 32.600 -0.572 0.000 1.377 78 M HN 0.447 nan 8.290 nan 0.000 0.415 79 L N -0.733 120.337 121.223 -0.256 0.000 2.046 79 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 79 L C 2.557 179.347 176.870 -0.134 0.000 1.077 79 L CA 0.979 55.721 54.840 -0.163 0.000 0.747 79 L CB -0.922 41.051 42.059 -0.143 0.000 0.896 79 L HN 0.229 nan 8.230 nan 0.000 0.432 80 R N -0.191 120.222 120.500 -0.145 0.000 2.081 80 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 80 R C 2.314 178.556 176.300 -0.097 0.000 1.131 80 R CA 1.576 57.601 56.100 -0.125 0.000 0.960 80 R CB -1.404 28.797 30.300 -0.165 0.000 0.856 80 R HN 0.426 nan 8.270 nan 0.000 0.436 81 C N -0.285 118.962 119.300 -0.089 0.000 2.425 81 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 81 C C 2.764 177.640 174.990 -0.189 0.000 1.280 81 C CA 0.672 59.646 59.018 -0.074 0.000 1.744 81 C CB -1.459 26.305 27.740 0.041 0.000 1.989 81 C HN 0.631 nan 8.230 nan 0.000 0.491 82 G N -0.097 108.622 108.800 -0.135 0.000 2.446 82 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 82 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 82 G C 1.544 176.336 174.900 -0.181 0.000 1.168 82 G CA 0.716 45.736 45.100 -0.134 0.000 0.771 82 G HN 0.678 nan 8.290 nan 0.000 0.551 83 Q N -0.479 119.208 119.800 -0.187 0.000 2.096 83 Q HA -0.071 4.268 4.340 -0.000 0.000 0.204 83 Q C 2.720 178.459 176.000 -0.435 0.000 0.982 83 Q CA 1.478 57.089 55.803 -0.321 0.000 0.850 83 Q CB -0.252 28.151 28.738 -0.558 0.000 0.901 83 Q HN 0.490 nan 8.270 nan 0.000 0.422 84 M N -0.223 119.234 119.600 -0.238 0.000 2.117 84 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 84 M C 2.374 178.334 176.300 -0.567 0.000 1.065 84 M CA 1.340 56.481 55.300 -0.266 0.000 1.114 84 M CB -0.277 32.177 32.600 -0.244 0.000 1.361 84 M HN 0.328 nan 8.290 nan 0.000 0.408 85 M N 0.271 119.405 119.600 -0.777 0.000 2.132 85 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 85 M C 2.054 178.225 176.300 -0.215 0.000 1.065 85 M CA 1.559 56.544 55.300 -0.526 0.000 1.122 85 M CB -0.071 32.327 32.600 -0.337 0.000 1.365 85 M HN 0.284 nan 8.290 nan 0.000 0.411 86 L N 0.946 122.044 121.223 -0.207 0.000 2.056 86 L HA 0.025 4.364 4.340 -0.000 0.000 0.207 86 L C 2.484 179.309 176.870 -0.075 0.000 1.078 86 L CA 2.145 56.904 54.840 -0.134 0.000 0.749 86 L CB -1.149 40.819 42.059 -0.152 0.000 0.901 86 L HN 0.315 nan 8.230 nan 0.000 0.433 87 A N -0.704 122.020 122.820 -0.160 0.000 1.917 87 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 87 A C 2.290 179.838 177.584 -0.061 0.000 1.182 87 A CA 2.038 53.990 52.037 -0.141 0.000 0.633 87 A CB -0.811 17.959 19.000 -0.383 0.000 0.819 87 A HN 0.625 nan 8.150 nan 0.000 0.448 88 Q N -0.215 119.550 119.800 -0.057 0.000 2.119 88 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 88 Q C 1.969 177.905 176.000 -0.107 0.000 0.972 88 Q CA 2.027 57.835 55.803 0.008 0.000 0.847 88 Q CB -0.600 28.228 28.738 0.150 0.000 0.903 88 Q HN 0.553 nan 8.270 nan 0.000 0.433 89 A N 0.220 122.923 122.820 -0.194 0.000 1.902 89 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 89 A C 2.076 179.249 177.584 -0.685 0.000 1.181 89 A CA 1.469 53.191 52.037 -0.526 0.000 0.623 89 A CB -0.726 18.079 19.000 -0.325 0.000 0.818 89 A HN 0.454 nan 8.150 nan 0.000 0.443 90 L N -0.404 120.634 121.223 -0.309 0.000 2.093 90 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 90 L C 2.414 179.215 176.870 -0.116 0.000 1.085 90 L CA 0.514 55.243 54.840 -0.186 0.000 0.755 90 L CB -0.545 41.531 42.059 0.030 0.000 0.904 90 L HN 0.286 nan 8.230 nan 0.000 0.435 91 I N 0.001 120.505 120.570 -0.110 0.000 2.127 91 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 91 I C 2.730 178.787 176.117 -0.101 0.000 1.075 91 I CA 1.487 62.712 61.300 -0.127 0.000 1.334 91 I CB -1.116 36.807 38.000 -0.128 0.000 1.040 91 I HN 0.408 nan 8.210 nan 0.000 0.405 92 C N 0.368 119.586 119.300 -0.137 0.000 2.413 92 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 92 C C 3.008 177.959 174.990 -0.064 0.000 1.248 92 C CA 0.583 59.562 59.018 -0.064 0.000 1.742 92 C CB -1.083 26.610 27.740 -0.077 0.000 2.017 92 C HN 0.460 nan 8.230 nan 0.000 0.481 93 R N 0.114 120.404 120.500 -0.350 0.000 2.083 93 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 93 R C 2.020 178.192 176.300 -0.213 0.000 1.137 93 R CA 1.733 57.714 56.100 -0.198 0.000 0.951 93 R CB -0.481 29.558 30.300 -0.435 0.000 0.851 93 R HN 0.664 nan 8.270 nan 0.000 0.434 94 H N -0.891 118.154 119.070 -0.043 0.000 2.516 94 H HA 0.102 4.658 4.556 -0.000 0.000 0.284 94 H C 1.805 177.161 175.328 0.048 0.000 0.999 94 H CA 0.904 56.956 56.048 0.006 0.000 1.303 94 H CB 0.459 30.223 29.762 0.004 0.000 1.452 94 H HN 0.198 nan 8.280 nan 0.000 0.530 95 L N -0.735 120.564 121.223 0.126 0.000 2.672 95 L HA 0.327 4.666 4.340 -0.000 0.000 0.236 95 L C 0.767 177.760 176.870 0.205 0.000 1.092 95 L CA 0.269 55.182 54.840 0.122 0.000 0.887 95 L CB 0.764 42.748 42.059 -0.125 0.000 1.168 95 L HN 0.231 nan 8.230 nan 0.000 0.502 96 G N 1.197 110.102 108.800 0.175 0.000 2.758 96 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.686 96 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.686 96 G C 0.100 175.153 174.900 0.254 0.000 1.389 96 G CA 0.075 45.300 45.100 0.209 0.000 0.845 96 G HN 0.183 nan 8.290 nan 0.000 0.572 97 R N 0.004 120.649 120.500 0.241 0.000 2.148 97 R HA 0.031 4.370 4.340 -0.000 0.000 0.227 97 R C 1.800 178.257 176.300 0.262 0.000 1.103 97 R CA 2.303 58.556 56.100 0.254 0.000 0.983 97 R CB -0.252 30.188 30.300 0.233 0.000 0.874 97 R HN 0.544 nan 8.270 nan 0.000 0.451 98 D N -0.840 119.698 120.400 0.231 0.000 2.363 98 D HA -0.096 4.544 4.640 -0.000 0.000 0.220 98 D C -0.118 176.305 176.300 0.205 0.000 0.994 98 D CA 0.186 54.297 54.000 0.185 0.000 0.890 98 D CB -0.333 40.547 40.800 0.134 0.000 0.906 98 D HN 0.250 nan 8.370 nan 0.000 0.530 99 W N 1.972 123.335 121.300 0.106 0.000 2.391 99 W HA 0.042 4.702 4.660 -0.000 0.000 0.339 99 W C 0.197 176.777 176.519 0.102 0.000 1.252 99 W CA 0.567 57.972 57.345 0.101 0.000 1.304 99 W CB 0.502 30.035 29.460 0.123 0.000 1.179 99 W HN -0.337 nan 8.180 nan 0.000 0.567 100 S N 5.063 120.194 115.700 -0.948 0.000 2.570 100 S HA 0.625 5.095 4.470 -0.000 0.000 0.286 100 S C -1.601 172.226 174.600 -1.288 0.000 1.099 100 S CA -0.743 56.879 58.200 -0.963 0.000 0.913 100 S CB 0.595 63.547 63.200 -0.413 0.000 1.085 100 S HN 0.618 nan 8.310 nan 0.000 0.480 107 Q N 1.935 121.812 119.800 0.129 0.000 2.306 107 Q HA 0.685 5.025 4.340 -0.000 0.000 0.265 107 Q C -2.059 174.071 176.000 0.217 0.000 1.022 107 Q CA -1.851 54.076 55.803 0.207 0.000 0.853 107 Q CB 1.891 30.788 28.738 0.264 0.000 1.327 107 Q HN 0.679 nan 8.270 nan 0.000 0.449 108 P HA 0.043 nan 4.420 nan 0.000 0.269 108 P C 0.385 177.799 177.300 0.189 0.000 1.215 108 P CA -0.124 63.089 63.100 0.188 0.000 0.780 108 P CB 0.922 32.737 31.700 0.192 0.000 0.898 109 K N 1.160 121.634 120.400 0.124 0.000 2.160 109 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 109 K C 1.191 177.818 176.600 0.045 0.000 1.047 109 K CA 1.626 57.955 56.287 0.070 0.000 0.930 109 K CB -0.347 32.163 32.500 0.017 0.000 0.720 109 K HN 0.247 nan 8.250 nan 0.000 0.450 110 E N 0.513 120.766 120.200 0.088 0.000 2.153 110 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 110 E C 1.739 178.413 176.600 0.125 0.000 0.988 110 E CA 1.247 57.710 56.400 0.104 0.000 0.811 110 E CB -0.404 29.379 29.700 0.138 0.000 0.746 110 E HN 0.480 nan 8.360 nan 0.000 0.466 111 Y N 1.491 121.799 120.300 0.013 0.000 2.097 111 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 111 Y C 2.371 178.292 175.900 0.034 0.000 1.152 111 Y CA 2.125 60.214 58.100 -0.019 0.000 1.136 111 Y CB -0.488 38.005 38.460 0.054 0.000 0.975 111 Y HN -0.007 nan 8.280 nan 0.000 0.498 112 Q N 0.689 120.394 119.800 -0.158 0.000 2.084 112 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 112 Q C 2.527 178.400 176.000 -0.212 0.000 0.978 112 Q CA 2.080 57.736 55.803 -0.245 0.000 0.844 112 Q CB -0.446 28.265 28.738 -0.046 0.000 0.898 112 Q HN 0.528 nan 8.270 nan 0.000 0.426 113 R N -0.588 119.804 120.500 -0.180 0.000 2.115 113 R HA -0.059 4.280 4.340 -0.000 0.000 0.230 113 R C 2.090 178.357 176.300 -0.055 0.000 1.111 113 R CA 1.187 57.130 56.100 -0.261 0.000 0.976 113 R CB -0.205 29.720 30.300 -0.625 0.000 0.870 113 R HN 0.351 nan 8.270 nan 0.000 0.445 114 I N 0.480 121.110 120.570 0.100 0.000 2.113 114 I HA -0.303 3.867 4.170 -0.000 0.000 0.238 114 I C 2.244 178.485 176.117 0.206 0.000 1.070 114 I CA 0.758 62.210 61.300 0.253 0.000 1.332 114 I CB -0.328 37.793 38.000 0.203 0.000 1.044 114 I HN 0.216 nan 8.210 nan 0.000 0.402 115 L N 0.759 121.967 121.223 -0.024 0.000 2.043 115 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 115 L C 2.428 179.297 176.870 -0.002 0.000 1.075 115 L CA 1.940 56.748 54.840 -0.053 0.000 0.752 115 L CB -0.835 40.965 42.059 -0.432 0.000 0.891 115 L HN 0.274 nan 8.230 nan 0.000 0.432 116 Q N -1.897 117.849 119.800 -0.089 0.000 2.291 116 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 116 Q C 2.294 178.237 176.000 -0.095 0.000 0.970 116 Q CA 1.414 57.159 55.803 -0.096 0.000 0.876 116 Q CB -0.292 28.372 28.738 -0.123 0.000 0.935 116 Q HN 0.609 nan 8.270 nan 0.000 0.455 117 C N -0.380 118.852 119.300 -0.113 0.000 2.419 117 C HA -0.107 4.353 4.460 -0.000 0.000 0.283 117 C C 1.517 176.237 174.990 -0.449 0.000 1.373 117 C CA 0.572 59.408 59.018 -0.302 0.000 1.781 117 C CB -0.894 26.645 27.740 -0.335 0.000 1.886 117 C HN 0.414 nan 8.230 nan 0.000 0.520 118 F N -0.184 119.716 119.950 -0.082 0.000 2.653 118 F HA 0.350 4.877 4.527 -0.000 0.000 0.304 118 F C 0.892 176.611 175.800 -0.135 0.000 1.092 118 F CA -0.218 57.648 58.000 -0.224 0.000 1.279 118 F CB -0.320 38.311 39.000 -0.615 0.000 1.044 118 F HN -0.007 nan 8.300 nan 0.000 0.564 119 L N 1.217 122.481 121.223 0.070 0.000 2.467 119 L HA 0.030 4.370 4.340 -0.000 0.000 0.270 119 L C 0.533 177.472 176.870 0.115 0.000 1.205 119 L CA 0.041 54.978 54.840 0.162 0.000 0.828 119 L CB 0.355 42.500 42.059 0.143 0.000 1.101 119 L HN 0.104 nan 8.230 nan 0.000 0.479 120 D N 3.946 124.475 120.400 0.215 0.000 2.801 120 D HA 0.138 4.777 4.640 -0.000 0.000 0.232 120 D C -0.093 176.020 176.300 -0.312 0.000 1.128 120 D CA 0.275 54.223 54.000 -0.087 0.000 1.003 120 D CB 0.092 40.759 40.800 -0.221 0.000 1.110 120 D HN 0.381 nan 8.370 nan 0.000 0.477 121 R N 0.622 120.929 120.500 -0.322 0.000 2.628 121 R HA 0.158 4.498 4.340 -0.000 0.000 0.288 121 R C 1.427 177.389 176.300 -0.564 0.000 0.980 121 R CA -0.769 55.032 56.100 -0.498 0.000 0.891 121 R CB 2.019 32.220 30.300 -0.165 0.000 1.188 121 R HN 0.002 nan 8.270 nan 0.000 0.450 122 K N 0.882 120.865 120.400 -0.696 0.000 2.280 122 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 122 K C 0.372 176.827 176.600 -0.242 0.000 1.047 122 K CA 1.863 57.920 56.287 -0.384 0.000 0.942 122 K CB 0.128 32.469 32.500 -0.265 0.000 0.739 122 K HN 0.582 nan 8.250 nan 0.000 0.457 123 D N 0.639 120.908 120.400 -0.219 0.000 2.349 123 D HA -0.024 4.615 4.640 -0.000 0.000 0.224 123 D C -0.180 176.014 176.300 -0.176 0.000 1.029 123 D CA -0.296 53.602 54.000 -0.169 0.000 0.879 123 D CB -0.438 40.286 40.800 -0.127 0.000 0.906 123 D HN 0.146 nan 8.370 nan 0.000 0.528 124 C N 1.184 120.365 119.300 -0.198 0.000 2.295 124 C HA 0.287 4.747 4.460 -0.000 0.000 0.331 124 C C 2.221 177.038 174.990 -0.289 0.000 1.280 124 C CA -1.015 57.872 59.018 -0.219 0.000 1.746 124 C CB 0.460 28.095 27.740 -0.175 0.000 2.328 124 C HN 0.611 nan 8.230 nan 0.000 0.521 125 C N 0.707 119.765 119.300 -0.404 0.000 2.419 125 C HA -0.065 4.395 4.460 -0.000 0.000 0.283 125 C C 1.086 175.703 174.990 -0.622 0.000 1.373 125 C CA 0.662 59.350 59.018 -0.550 0.000 1.781 125 C CB -1.585 25.738 27.740 -0.694 0.000 1.886 125 C HN 0.844 nan 8.230 nan 0.000 0.520 126 Y N 2.593 122.690 120.300 -0.339 0.000 2.720 126 Y HA 0.346 4.896 4.550 -0.000 0.000 0.268 126 Y C 1.299 177.043 175.900 -0.260 0.000 1.142 126 Y CA -0.568 57.315 58.100 -0.361 0.000 1.193 126 Y CB -0.794 37.239 38.460 -0.713 0.000 1.176 126 Y HN 0.376 nan 8.280 nan 0.000 0.542 127 S N -0.917 114.720 115.700 -0.105 0.000 2.589 127 S HA 0.048 4.518 4.470 -0.000 0.000 0.265 127 S C 1.444 176.021 174.600 -0.039 0.000 1.342 127 S CA -0.559 57.600 58.200 -0.069 0.000 1.005 127 S CB 1.036 64.185 63.200 -0.085 0.000 0.909 127 S HN 0.299 nan 8.310 nan 0.000 0.555 128 I N 1.387 121.904 120.570 -0.087 0.000 2.248 128 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 128 I C 2.033 178.083 176.117 -0.113 0.000 1.107 128 I CA 1.919 63.128 61.300 -0.151 0.000 1.373 128 I CB -0.743 37.045 38.000 -0.353 0.000 1.055 128 I HN 0.819 nan 8.210 nan 0.000 0.418 129 H N -0.091 118.854 119.070 -0.209 0.000 2.290 129 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 129 H C 2.234 177.512 175.328 -0.084 0.000 1.087 129 H CA 1.836 57.805 56.048 -0.131 0.000 1.291 129 H CB -0.394 29.265 29.762 -0.172 0.000 1.369 129 H HN 0.347 nan 8.280 nan 0.000 0.492 130 Q N -0.078 119.738 119.800 0.027 0.000 2.119 130 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 130 Q C 2.436 178.433 176.000 -0.005 0.000 0.972 130 Q CA 1.157 56.934 55.803 -0.043 0.000 0.847 130 Q CB -0.184 28.486 28.738 -0.113 0.000 0.903 130 Q HN 0.551 nan 8.270 nan 0.000 0.433 131 M N -0.208 119.412 119.600 0.033 0.000 2.077 131 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 131 M C 2.335 178.719 176.300 0.140 0.000 1.070 131 M CA 1.597 56.949 55.300 0.085 0.000 1.125 131 M CB -0.472 32.177 32.600 0.082 0.000 1.339 131 M HN 0.150 nan 8.290 nan 0.000 0.409 132 A N -0.283 122.623 122.820 0.143 0.000 1.908 132 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 132 A C 1.994 179.633 177.584 0.092 0.000 1.181 132 A CA 1.939 54.082 52.037 0.176 0.000 0.627 132 A CB -0.764 18.348 19.000 0.186 0.000 0.818 132 A HN 0.454 nan 8.150 nan 0.000 0.445 133 Q N -1.504 118.320 119.800 0.040 0.000 2.084 133 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 133 Q C 2.000 177.992 176.000 -0.013 0.000 0.978 133 Q CA 2.073 57.875 55.803 -0.002 0.000 0.844 133 Q CB -0.354 28.367 28.738 -0.028 0.000 0.898 133 Q HN 0.565 nan 8.270 nan 0.000 0.426 134 M N -0.849 118.747 119.600 -0.007 0.000 2.213 134 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 134 M C 1.753 178.027 176.300 -0.042 0.000 1.062 134 M CA 1.831 57.120 55.300 -0.019 0.000 1.105 134 M CB -0.778 31.822 32.600 -0.001 0.000 1.385 134 M HN 0.272 nan 8.290 nan 0.000 0.417 135 G N -1.052 107.744 108.800 -0.007 0.000 2.450 135 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 135 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 135 G C 1.458 176.288 174.900 -0.116 0.000 1.130 135 G CA 1.107 46.133 45.100 -0.123 0.000 0.760 135 G HN 0.407 nan 8.290 nan 0.000 0.557 136 V N 1.546 121.436 119.914 -0.041 0.000 2.324 136 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 136 V C 3.066 179.120 176.094 -0.066 0.000 1.060 136 V CA 2.025 64.297 62.300 -0.047 0.000 1.042 136 V CB -1.049 30.753 31.823 -0.034 0.000 0.650 136 V HN 0.448 nan 8.190 nan 0.000 0.450 137 G N -0.608 108.152 108.800 -0.067 0.000 2.559 137 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 137 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 137 G C 1.196 176.042 174.900 -0.089 0.000 1.126 137 G CA 0.324 45.385 45.100 -0.064 0.000 0.778 137 G HN 0.532 nan 8.290 nan 0.000 0.543 138 E N -0.013 120.105 120.200 -0.137 0.000 2.476 138 E HA 0.187 4.537 4.350 -0.000 0.000 0.196 138 E C 1.571 178.078 176.600 -0.154 0.000 1.029 138 E CA 0.377 56.672 56.400 -0.175 0.000 0.896 138 E CB 0.196 29.719 29.700 -0.295 0.000 1.012 138 E HN 0.362 nan 8.360 nan 0.000 0.475 139 G N 2.113 110.847 108.800 -0.111 0.000 2.149 139 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.235 139 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.235 139 G C -0.039 174.823 174.900 -0.063 0.000 1.018 139 G CA -0.066 44.989 45.100 -0.075 0.000 0.728 139 G HN -0.018 nan 8.290 nan 0.000 0.508 140 K N 1.054 121.407 120.400 -0.078 0.000 2.394 140 K HA 0.525 4.844 4.320 -0.000 0.000 0.260 140 K C 0.380 176.996 176.600 0.025 0.000 0.967 140 K CA -0.507 55.782 56.287 0.002 0.000 0.855 140 K CB 1.637 34.158 32.500 0.034 0.000 1.101 140 K HN 0.157 nan 8.250 nan 0.000 0.433 141 S N 2.305 118.008 115.700 0.005 0.000 2.558 141 S HA 0.070 4.540 4.470 -0.000 0.000 0.287 141 S C 0.929 175.480 174.600 -0.081 0.000 1.321 141 S CA -0.322 57.853 58.200 -0.042 0.000 1.048 141 S CB 0.198 63.360 63.200 -0.063 0.000 0.844 141 S HN 0.375 nan 8.310 nan 0.000 0.512 142 I N 2.497 122.989 120.570 -0.129 0.000 2.742 142 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 142 I C 1.444 177.250 176.117 -0.519 0.000 1.186 142 I CA 1.085 62.237 61.300 -0.246 0.000 1.417 142 I CB -0.163 37.731 38.000 -0.176 0.000 1.377 142 I HN 0.984 nan 8.210 nan 0.000 0.556 143 G N 4.087 112.266 108.800 -1.035 0.000 2.195 143 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.224 143 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.224 143 G C 0.139 174.585 174.900 -0.757 0.000 0.990 143 G CA -0.543 43.595 45.100 -1.603 0.000 0.639 143 G HN 0.592 nan 8.290 nan 0.000 0.514 144 E N -0.543 119.473 120.200 -0.307 0.000 2.313 144 E HA 0.366 4.715 4.350 -0.000 0.000 0.276 144 E C -0.316 176.339 176.600 0.091 0.000 1.031 144 E CA -0.837 55.567 56.400 0.006 0.000 0.857 144 E CB 0.911 30.688 29.700 0.128 0.000 1.040 144 E HN 0.329 nan 8.360 nan 0.000 0.408 145 W N 5.036 126.352 121.300 0.026 0.000 2.272 145 W HA 0.272 4.932 4.660 -0.000 0.000 0.318 145 W C -0.952 175.565 176.519 -0.004 0.000 1.255 145 W CA -0.298 57.019 57.345 -0.046 0.000 1.200 145 W CB 0.322 29.813 29.460 0.051 0.000 1.170 145 W HN 0.374 nan 8.180 nan 0.000 0.549 146 F N 3.763 123.394 119.950 -0.532 0.000 2.643 146 F HA 0.884 5.411 4.527 -0.000 0.000 0.314 146 F C 0.262 175.414 175.800 -1.081 0.000 1.096 146 F CA -1.859 55.846 58.000 -0.493 0.000 0.953 146 F CB 0.136 39.013 39.000 -0.204 0.000 1.345 146 F HN 0.494 nan 8.300 nan 0.000 0.468 147 G N -0.055 108.600 108.800 -0.242 0.000 2.563 147 G HA2 0.484 4.444 3.960 -0.000 0.000 0.283 147 G HA3 0.484 4.444 3.960 -0.000 0.000 0.283 147 G C -2.271 172.596 174.900 -0.055 0.000 1.309 147 G CA -1.642 43.350 45.100 -0.180 0.000 1.022 147 G HN 0.474 nan 8.290 nan 0.000 0.501 148 P HA -0.137 nan 4.420 nan 0.000 0.215 148 P C 1.597 178.902 177.300 0.008 0.000 1.153 148 P CA 1.226 64.345 63.100 0.031 0.000 0.853 148 P CB 0.151 31.892 31.700 0.069 0.000 0.788 149 N N -1.059 117.641 118.700 -0.001 0.000 2.069 149 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 149 N C 1.504 176.975 175.510 -0.065 0.000 1.031 149 N CA 2.151 55.180 53.050 -0.034 0.000 0.852 149 N CB -1.022 37.443 38.487 -0.036 0.000 1.018 149 N HN -0.017 nan 8.380 nan 0.000 0.423 150 T N -0.354 114.151 114.554 -0.083 0.000 2.746 150 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 150 T C 1.933 176.536 174.700 -0.163 0.000 1.039 150 T CA 1.249 63.215 62.100 -0.223 0.000 1.142 150 T CB -0.695 67.899 68.868 -0.457 0.000 0.866 150 T HN 0.131 nan 8.240 nan 0.000 0.444 151 V N 1.435 121.381 119.914 0.054 0.000 2.407 151 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 151 V C 2.669 178.773 176.094 0.017 0.000 1.055 151 V CA 1.839 64.214 62.300 0.126 0.000 1.049 151 V CB -1.054 30.838 31.823 0.114 0.000 0.662 151 V HN 0.524 nan 8.190 nan 0.000 0.455 152 A N -0.800 122.010 122.820 -0.018 0.000 1.883 152 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 152 A C 2.098 179.650 177.584 -0.053 0.000 1.186 152 A CA 1.966 53.980 52.037 -0.039 0.000 0.624 152 A CB -0.585 18.385 19.000 -0.050 0.000 0.822 152 A HN 0.601 nan 8.150 nan 0.000 0.444 153 Q N -0.331 119.423 119.800 -0.076 0.000 2.124 153 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 153 Q C 2.351 178.314 176.000 -0.062 0.000 0.977 153 Q CA 1.493 57.245 55.803 -0.086 0.000 0.850 153 Q CB -0.933 27.734 28.738 -0.117 0.000 0.901 153 Q HN 0.493 nan 8.270 nan 0.000 0.429 154 V N 1.385 121.262 119.914 -0.061 0.000 2.295 154 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 154 V C 2.466 178.579 176.094 0.032 0.000 1.049 154 V CA 1.513 63.806 62.300 -0.013 0.000 1.024 154 V CB -0.687 31.153 31.823 0.028 0.000 0.648 154 V HN 0.263 nan 8.190 nan 0.000 0.447 155 L N -0.202 121.032 121.223 0.019 0.000 2.042 155 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 155 L C 2.584 179.473 176.870 0.031 0.000 1.076 155 L CA 2.088 56.937 54.840 0.016 0.000 0.749 155 L CB -0.695 41.343 42.059 -0.034 0.000 0.893 155 L HN 0.339 nan 8.230 nan 0.000 0.432 156 K N 0.730 121.132 120.400 0.003 0.000 2.032 156 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 156 K C 2.154 178.771 176.600 0.029 0.000 1.048 156 K CA 1.600 57.885 56.287 -0.003 0.000 0.927 156 K CB 0.037 32.513 32.500 -0.040 0.000 0.712 156 K HN 0.202 nan 8.250 nan 0.000 0.441 157 K N 0.452 120.878 120.400 0.044 0.000 2.057 157 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 157 K C 2.190 178.916 176.600 0.209 0.000 1.050 157 K CA 1.255 57.598 56.287 0.093 0.000 0.935 157 K CB -0.113 32.437 32.500 0.084 0.000 0.715 157 K HN 0.190 nan 8.250 nan 0.000 0.439 158 L N 0.627 121.979 121.223 0.215 0.000 2.131 158 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 158 L C 2.528 179.606 176.870 0.346 0.000 1.092 158 L CA 0.812 55.834 54.840 0.303 0.000 0.759 158 L CB -0.577 41.657 42.059 0.290 0.000 0.903 158 L HN 0.196 nan 8.230 nan 0.000 0.435 159 A N 0.244 123.236 122.820 0.287 0.000 2.024 159 A HA -0.171 4.148 4.320 -0.000 0.000 0.220 159 A C 2.190 179.826 177.584 0.086 0.000 1.164 159 A CA 1.299 53.471 52.037 0.225 0.000 0.643 159 A CB -0.656 18.413 19.000 0.114 0.000 0.806 159 A HN 0.420 nan 8.150 nan 0.000 0.451 160 L N -2.394 118.834 121.223 0.009 0.000 2.265 160 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 160 L C 1.555 178.208 176.870 -0.361 0.000 1.117 160 L CA 0.863 55.572 54.840 -0.217 0.000 0.782 160 L CB -0.375 41.456 42.059 -0.379 0.000 0.914 160 L HN 0.403 nan 8.230 nan 0.000 0.441 161 F N -1.369 118.552 119.950 -0.049 0.000 2.695 161 F HA 0.113 4.639 4.527 -0.000 0.000 0.303 161 F C 0.709 176.442 175.800 -0.112 0.000 1.091 161 F CA -0.358 57.591 58.000 -0.085 0.000 1.300 161 F CB 0.141 39.073 39.000 -0.112 0.000 1.071 161 F HN -0.085 nan 8.300 nan 0.000 0.578 162 D N 0.501 120.921 120.400 0.034 0.000 2.485 162 D HA 0.094 4.734 4.640 -0.000 0.000 0.229 162 D C 0.966 177.300 176.300 0.058 0.000 1.101 162 D CA 0.131 54.141 54.000 0.016 0.000 0.906 162 D CB 0.844 41.663 40.800 0.032 0.000 1.019 162 D HN 0.028 nan 8.370 nan 0.000 0.516 163 E N 2.612 122.854 120.200 0.070 0.000 2.299 163 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 163 E C 1.206 177.901 176.600 0.158 0.000 0.998 163 E CA 0.373 56.817 56.400 0.074 0.000 0.851 163 E CB -0.040 29.691 29.700 0.050 0.000 0.795 163 E HN 0.611 nan 8.360 nan 0.000 0.492 164 W N 1.284 122.586 121.300 0.003 0.000 2.354 164 W HA -0.142 4.518 4.660 -0.000 0.000 0.315 164 W C 1.302 177.875 176.519 0.091 0.000 1.206 164 W CA 2.183 59.547 57.345 0.032 0.000 1.290 164 W CB -0.754 28.710 29.460 0.006 0.000 1.152 164 W HN 0.064 nan 8.180 nan 0.000 0.489 165 N N -0.647 118.018 118.700 -0.059 0.000 2.290 165 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 165 N C 0.489 175.944 175.510 -0.092 0.000 1.016 165 N CA 1.414 54.333 53.050 -0.217 0.000 0.871 165 N CB -0.324 38.082 38.487 -0.136 0.000 0.987 165 N HN -0.165 nan 8.380 nan 0.000 0.431 166 S N 0.571 116.259 115.700 -0.020 0.000 3.447 166 S HA -0.165 4.304 4.470 -0.000 0.000 0.371 166 S C -0.180 174.392 174.600 -0.047 0.000 0.951 166 S CA 0.190 58.373 58.200 -0.029 0.000 1.269 166 S CB -1.535 61.645 63.200 -0.033 0.000 0.919 166 S HN 0.279 nan 8.310 nan 0.000 0.516 167 L N 0.909 122.119 121.223 -0.022 0.000 2.380 167 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 167 L C 0.885 177.720 176.870 -0.057 0.000 1.138 167 L CA -0.349 54.478 54.840 -0.023 0.000 0.832 167 L CB 0.750 42.819 42.059 0.016 0.000 1.124 167 L HN 0.537 nan 8.230 nan 0.000 0.454 168 A N 4.120 126.876 122.820 -0.106 0.000 2.366 168 A HA 0.552 4.872 4.320 -0.000 0.000 0.272 168 A C -0.408 177.135 177.584 -0.069 0.000 1.135 168 A CA -0.335 51.621 52.037 -0.135 0.000 0.804 168 A CB 0.599 19.439 19.000 -0.266 0.000 1.064 168 A HN 0.442 nan 8.150 nan 0.000 0.499 169 V N 3.209 123.097 119.914 -0.043 0.000 2.483 169 V HA 0.305 4.425 4.120 -0.000 0.000 0.297 169 V C -1.031 175.076 176.094 0.023 0.000 1.027 169 V CA -0.404 61.892 62.300 -0.006 0.000 0.855 169 V CB 1.107 32.922 31.823 -0.013 0.000 0.995 169 V HN 0.809 nan 8.190 nan 0.000 0.424 170 Y N 4.727 124.971 120.300 -0.092 0.000 2.352 170 Y HA 0.733 5.283 4.550 -0.000 0.000 0.339 170 Y C -0.546 175.319 175.900 -0.058 0.000 0.992 170 Y CA -0.669 57.380 58.100 -0.084 0.000 1.100 170 Y CB 1.885 40.280 38.460 -0.109 0.000 1.192 170 Y HN 0.413 nan 8.280 nan 0.000 0.458 171 V N 6.173 125.771 119.914 -0.526 0.000 2.407 171 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 171 V C -0.355 175.381 176.094 -0.597 0.000 1.018 171 V CA -0.887 61.189 62.300 -0.374 0.000 0.842 171 V CB 1.321 33.009 31.823 -0.225 0.000 0.996 171 V HN 0.892 nan 8.190 nan 0.000 0.426 172 S N 6.113 121.625 115.700 -0.313 0.000 2.585 172 S HA 0.702 5.172 4.470 -0.000 0.000 0.273 172 S C -0.270 174.254 174.600 -0.127 0.000 1.339 172 S CA -0.618 57.483 58.200 -0.165 0.000 1.028 172 S CB 0.945 64.213 63.200 0.114 0.000 0.906 172 S HN 0.826 nan 8.310 nan 0.000 0.528 173 M N -0.159 119.394 119.600 -0.078 0.000 2.662 173 M HA 0.569 5.048 4.480 -0.000 0.000 0.310 173 M C -1.059 175.238 176.300 -0.005 0.000 1.204 173 M CA -0.638 54.634 55.300 -0.047 0.000 0.891 173 M CB 1.257 33.823 32.600 -0.057 0.000 1.732 173 M HN 0.587 nan 8.290 nan 0.000 0.467 174 D N 1.366 121.764 120.400 -0.004 0.000 2.708 174 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 174 D C -0.515 175.806 176.300 0.035 0.000 1.146 174 D CA 1.233 55.240 54.000 0.010 0.000 0.662 174 D CB -1.524 39.279 40.800 0.005 0.000 1.059 174 D HN 0.994 nan 8.370 nan 0.000 0.428 175 N N -1.967 116.758 118.700 0.042 0.000 2.681 175 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 175 N C -0.499 175.111 175.510 0.165 0.000 1.133 175 N CA 1.657 54.761 53.050 0.089 0.000 0.732 175 N CB -1.621 36.912 38.487 0.076 0.000 1.107 175 N HN 0.389 nan 8.380 nan 0.000 0.559 176 T N 0.323 114.965 114.554 0.147 0.000 2.841 176 T HA 0.517 4.867 4.350 -0.000 0.000 0.285 176 T C 0.135 174.987 174.700 0.254 0.000 0.991 176 T CA -0.501 61.708 62.100 0.183 0.000 0.966 176 T CB 2.739 71.669 68.868 0.104 0.000 0.962 176 T HN -0.102 nan 8.240 nan 0.000 0.438 177 V N 3.929 124.034 119.914 0.319 0.000 2.398 177 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 177 V C -0.117 176.126 176.094 0.248 0.000 1.026 177 V CA -0.711 61.808 62.300 0.366 0.000 0.868 177 V CB 1.642 33.741 31.823 0.461 0.000 0.982 177 V HN 0.719 nan 8.190 nan 0.000 0.443 178 V N 6.720 126.750 119.914 0.193 0.000 2.311 178 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 178 V C 1.166 177.309 176.094 0.081 0.000 1.022 178 V CA -0.191 62.195 62.300 0.144 0.000 0.830 178 V CB 0.958 32.888 31.823 0.178 0.000 1.012 178 V HN 0.768 nan 8.190 nan 0.000 0.452 179 I N 3.258 123.932 120.570 0.173 0.000 2.118 179 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 179 I C 2.538 178.760 176.117 0.175 0.000 1.070 179 I CA 2.320 63.789 61.300 0.283 0.000 1.327 179 I CB -0.036 38.126 38.000 0.270 0.000 1.034 179 I HN 0.857 nan 8.210 nan 0.000 0.405 180 E N 0.801 121.080 120.200 0.133 0.000 2.150 180 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 180 E C 1.463 178.098 176.600 0.060 0.000 0.985 180 E CA 1.542 58.003 56.400 0.101 0.000 0.814 180 E CB -0.292 29.466 29.700 0.096 0.000 0.752 180 E HN 0.418 nan 8.360 nan 0.000 0.466 181 D N 1.083 121.529 120.400 0.076 0.000 2.117 181 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 181 D C 2.047 178.320 176.300 -0.045 0.000 0.987 181 D CA 1.006 55.052 54.000 0.077 0.000 0.829 181 D CB -0.165 40.777 40.800 0.237 0.000 0.961 181 D HN 0.307 nan 8.370 nan 0.000 0.460 182 I N 0.862 121.308 120.570 -0.207 0.000 2.226 182 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 182 I C 2.248 178.142 176.117 -0.371 0.000 1.100 182 I CA 1.071 62.114 61.300 -0.428 0.000 1.374 182 I CB -0.049 37.486 38.000 -0.776 0.000 1.057 182 I HN -0.056 nan 8.210 nan 0.000 0.413 183 K N 0.758 121.059 120.400 -0.164 0.000 2.148 183 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 183 K C 2.037 178.565 176.600 -0.121 0.000 1.050 183 K CA 1.007 57.263 56.287 -0.053 0.000 0.942 183 K CB -0.149 32.447 32.500 0.159 0.000 0.724 183 K HN 0.353 nan 8.250 nan 0.000 0.446 184 K N 0.694 121.040 120.400 -0.091 0.000 2.097 184 K HA -0.053 4.266 4.320 -0.000 0.000 0.205 184 K C 2.139 178.652 176.600 -0.145 0.000 1.050 184 K CA 0.992 57.227 56.287 -0.086 0.000 0.938 184 K CB -0.074 32.399 32.500 -0.045 0.000 0.718 184 K HN 0.121 nan 8.250 nan 0.000 0.442 185 M N 0.024 119.512 119.600 -0.187 0.000 2.229 185 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 185 M C 1.634 177.721 176.300 -0.355 0.000 1.063 185 M CA 1.414 56.584 55.300 -0.217 0.000 1.114 185 M CB 0.132 32.626 32.600 -0.176 0.000 1.387 185 M HN 0.190 nan 8.290 nan 0.000 0.420 186 C N -0.794 118.165 119.300 -0.568 0.000 2.700 186 C HA 0.238 4.698 4.460 -0.000 0.000 0.297 186 C C 0.935 175.503 174.990 -0.704 0.000 1.293 186 C CA -0.472 57.981 59.018 -0.942 0.000 1.756 186 C CB -0.558 25.954 27.740 -2.047 0.000 2.210 186 C HN 0.325 nan 8.230 nan 0.000 0.553 187 R N 1.308 121.575 120.500 -0.388 0.000 2.316 187 R HA 0.379 4.718 4.340 -0.000 0.000 0.314 187 R C -0.548 175.688 176.300 -0.108 0.000 1.069 187 R CA 0.253 56.286 56.100 -0.112 0.000 0.959 187 R CB 0.669 30.976 30.300 0.012 0.000 0.987 187 R HN 0.198 nan 8.270 nan 0.000 0.446 188 V N 5.873 125.745 119.914 -0.069 0.000 2.555 188 V HA 0.332 4.452 4.120 -0.000 0.000 0.302 188 V C -0.107 175.971 176.094 -0.025 0.000 1.038 188 V CA -0.976 61.285 62.300 -0.063 0.000 0.887 188 V CB 1.477 33.254 31.823 -0.076 0.000 0.991 188 V HN 0.656 nan 8.190 nan 0.000 0.434 189 L N 8.118 129.325 121.223 -0.027 0.000 2.578 189 L HA 0.185 4.525 4.340 -0.000 0.000 0.279 189 L C -1.149 175.718 176.870 -0.005 0.000 1.227 189 L CA -0.996 53.836 54.840 -0.014 0.000 0.900 189 L CB -0.296 41.752 42.059 -0.019 0.000 1.144 189 L HN 0.656 nan 8.230 nan 0.000 0.496 220 W N 4.107 125.386 121.300 -0.034 0.000 2.830 220 W HA 0.478 5.138 4.660 -0.000 0.000 0.335 220 W C -1.009 175.471 176.519 -0.064 0.000 1.043 220 W CA -0.593 56.719 57.345 -0.055 0.000 1.239 220 W CB 1.745 31.169 29.460 -0.059 0.000 1.378 220 W HN 0.837 nan 8.180 nan 0.000 0.456 221 K N 7.120 127.262 120.400 -0.430 0.000 2.378 221 K HA 0.212 4.532 4.320 -0.000 0.000 0.288 221 K C -2.120 174.252 176.600 -0.380 0.000 1.057 221 K CA -1.155 54.926 56.287 -0.344 0.000 0.971 221 K CB 0.704 32.980 32.500 -0.374 0.000 0.975 221 K HN 0.008 nan 8.250 nan 0.000 0.475 222 P HA -0.130 nan 4.420 nan 0.000 0.264 222 P C -1.264 176.029 177.300 -0.012 0.000 1.183 222 P CA -0.013 63.116 63.100 0.048 0.000 0.763 222 P CB 0.441 32.234 31.700 0.156 0.000 0.807 223 L N 5.236 126.441 121.223 -0.029 0.000 2.305 223 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 223 L C -1.223 175.695 176.870 0.080 0.000 1.013 223 L CA -0.814 54.001 54.840 -0.041 0.000 0.819 223 L CB 1.201 43.213 42.059 -0.077 0.000 1.227 223 L HN 0.111 nan 8.230 nan 0.000 0.417 224 L N 6.369 127.658 121.223 0.110 0.000 2.261 224 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 224 L C -1.250 175.659 176.870 0.065 0.000 1.059 224 L CA 0.134 55.053 54.840 0.131 0.000 0.816 224 L CB 0.835 42.946 42.059 0.087 0.000 1.191 224 L HN 0.710 nan 8.230 nan 0.000 0.431 225 L N 6.760 128.019 121.223 0.060 0.000 2.298 225 L HA 0.575 4.915 4.340 -0.000 0.000 0.284 225 L C -0.990 175.933 176.870 0.087 0.000 1.013 225 L CA -0.364 54.512 54.840 0.059 0.000 0.824 225 L CB 0.989 42.984 42.059 -0.108 0.000 1.221 225 L HN 0.634 nan 8.230 nan 0.000 0.418 226 I N 5.341 125.959 120.570 0.080 0.000 2.433 226 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 226 I C -0.633 175.491 176.117 0.012 0.000 1.001 226 I CA -0.795 60.516 61.300 0.019 0.000 1.119 226 I CB 2.079 40.069 38.000 -0.016 0.000 1.289 226 I HN 0.200 nan 8.210 nan 0.000 0.438 227 V N 7.393 127.288 119.914 -0.031 0.000 2.289 227 V HA 0.298 4.417 4.120 -0.000 0.000 0.272 227 V C -2.411 173.624 176.094 -0.098 0.000 1.026 227 V CA -1.743 60.505 62.300 -0.086 0.000 0.807 227 V CB 0.873 32.551 31.823 -0.241 0.000 1.044 227 V HN 0.543 nan 8.190 nan 0.000 0.443 228 P HA 0.424 nan 4.420 nan 0.000 0.276 228 P C -0.728 176.534 177.300 -0.065 0.000 1.230 228 P CA 0.092 63.159 63.100 -0.055 0.000 0.776 228 P CB 0.817 32.492 31.700 -0.041 0.000 0.888 229 L N 2.420 123.598 121.223 -0.075 0.000 2.424 229 L HA 0.619 4.958 4.340 -0.000 0.000 0.258 229 L C -0.024 176.794 176.870 -0.086 0.000 0.995 229 L CA -1.007 53.774 54.840 -0.099 0.000 0.821 229 L CB 2.717 44.678 42.059 -0.163 0.000 1.383 229 L HN 0.145 nan 8.230 nan 0.000 0.410 230 R N 1.869 122.317 120.500 -0.087 0.000 2.320 230 R HA 0.471 4.811 4.340 -0.000 0.000 0.319 230 R C -0.651 175.590 176.300 -0.099 0.000 0.969 230 R CA -0.183 55.883 56.100 -0.055 0.000 0.857 230 R CB 0.586 30.878 30.300 -0.014 0.000 1.160 230 R HN 0.661 nan 8.270 nan 0.000 0.491 231 L N 3.241 124.407 121.223 -0.095 0.000 2.688 231 L HA 0.505 4.844 4.340 -0.000 0.000 0.234 231 L C 0.598 177.542 176.870 0.122 0.000 1.192 231 L CA 0.190 54.956 54.840 -0.124 0.000 0.984 231 L CB 0.151 42.134 42.059 -0.127 0.000 1.232 231 L HN 0.892 nan 8.230 nan 0.000 0.465 232 G N -1.010 107.850 108.800 0.099 0.000 2.337 232 G HA2 0.155 4.115 3.960 -0.000 0.000 0.298 232 G HA3 0.155 4.115 3.960 -0.000 0.000 0.298 232 G C -0.107 174.841 174.900 0.081 0.000 1.335 232 G CA -0.793 44.385 45.100 0.128 0.000 0.875 232 G HN -0.095 nan 8.290 nan 0.000 0.579 233 I N -0.202 120.412 120.570 0.073 0.000 2.272 233 I HA 0.048 4.218 4.170 -0.000 0.000 0.235 233 I C 2.199 178.348 176.117 0.053 0.000 1.071 233 I CA 1.212 62.545 61.300 0.056 0.000 1.374 233 I CB -0.043 37.987 38.000 0.049 0.000 1.121 233 I HN 0.538 nan 8.210 nan 0.000 0.420 234 N N -0.746 117.985 118.700 0.052 0.000 2.322 234 N HA 0.047 4.787 4.740 -0.000 0.000 0.181 234 N C -0.096 175.447 175.510 0.055 0.000 1.088 234 N CA -0.093 52.986 53.050 0.049 0.000 0.885 234 N CB 0.522 39.033 38.487 0.040 0.000 1.013 234 N HN 0.381 nan 8.380 nan 0.000 0.472 235 Q N 0.256 120.094 119.800 0.063 0.000 2.462 235 Q HA 0.333 4.673 4.340 -0.000 0.000 0.285 235 Q C -1.172 174.881 176.000 0.090 0.000 1.035 235 Q CA -0.720 55.125 55.803 0.070 0.000 0.799 235 Q CB 1.500 30.274 28.738 0.059 0.000 1.452 235 Q HN -0.010 nan 8.270 nan 0.000 0.404 236 I N 2.418 123.050 120.570 0.104 0.000 2.668 236 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 236 I C 0.539 176.743 176.117 0.145 0.000 1.168 236 I CA -0.038 61.349 61.300 0.144 0.000 1.424 236 I CB 0.109 38.210 38.000 0.168 0.000 1.377 236 I HN 0.559 nan 8.210 nan 0.000 0.560 237 N N 9.338 128.158 118.700 0.200 0.000 2.475 237 N HA 0.094 4.833 4.740 -0.000 0.000 0.267 237 N C -1.726 173.814 175.510 0.049 0.000 1.169 237 N CA -1.630 51.482 53.050 0.104 0.000 0.947 237 N CB 1.431 39.963 38.487 0.075 0.000 1.061 237 N HN 0.248 nan 8.380 nan 0.000 0.466 238 P HA -0.174 nan 4.420 nan 0.000 0.218 238 P C 1.378 178.637 177.300 -0.069 0.000 1.146 238 P CA 0.931 64.025 63.100 -0.010 0.000 0.813 238 P CB 0.125 31.814 31.700 -0.018 0.000 0.778 239 V N -4.614 115.173 119.914 -0.211 0.000 2.867 239 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 239 V C 1.397 177.312 176.094 -0.298 0.000 1.099 239 V CA 1.605 63.711 62.300 -0.325 0.000 1.122 239 V CB -1.862 29.659 31.823 -0.504 0.000 0.708 239 V HN 0.069 nan 8.190 nan 0.000 0.490 240 Y N -0.765 119.556 120.300 0.036 0.000 2.458 240 Y HA 0.421 4.971 4.550 -0.000 0.000 0.256 240 Y C 2.261 178.225 175.900 0.107 0.000 1.159 240 Y CA -0.016 58.115 58.100 0.051 0.000 1.261 240 Y CB -0.318 38.164 38.460 0.037 0.000 1.119 240 Y HN 0.060 nan 8.280 nan 0.000 0.524 241 V N 0.173 120.200 119.914 0.188 0.000 2.261 241 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 241 V C 1.804 177.951 176.094 0.088 0.000 1.047 241 V CA 2.296 64.685 62.300 0.149 0.000 1.015 241 V CB -0.339 31.520 31.823 0.061 0.000 0.642 241 V HN 0.280 nan 8.190 nan 0.000 0.446 242 D N 0.363 120.790 120.400 0.044 0.000 2.104 242 D HA -0.158 4.481 4.640 -0.000 0.000 0.194 242 D C 2.201 178.521 176.300 0.033 0.000 0.994 242 D CA 1.815 55.818 54.000 0.004 0.000 0.830 242 D CB -0.493 40.307 40.800 -0.001 0.000 0.959 242 D HN 0.434 nan 8.370 nan 0.000 0.452 243 A N 0.428 123.303 122.820 0.091 0.000 1.902 243 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 243 A C 2.105 179.819 177.584 0.218 0.000 1.181 243 A CA 0.911 53.013 52.037 0.109 0.000 0.623 243 A CB -0.914 18.147 19.000 0.102 0.000 0.818 243 A HN 0.189 nan 8.150 nan 0.000 0.443 244 F N 1.085 121.081 119.950 0.076 0.000 2.091 244 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 244 F C 2.085 177.946 175.800 0.101 0.000 1.103 244 F CA 1.918 59.976 58.000 0.096 0.000 1.228 244 F CB -0.676 38.386 39.000 0.103 0.000 0.984 244 F HN 0.227 nan 8.300 nan 0.000 0.477 245 K N -0.215 120.222 120.400 0.062 0.000 2.063 245 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 245 K C 1.847 178.425 176.600 -0.037 0.000 1.048 245 K CA 1.504 57.596 56.287 -0.326 0.000 0.928 245 K CB -0.260 31.724 32.500 -0.861 0.000 0.713 245 K HN 0.198 nan 8.250 nan 0.000 0.442 246 E N 0.595 120.801 120.200 0.010 0.000 2.160 246 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 246 E C 2.174 178.838 176.600 0.105 0.000 0.991 246 E CA 0.987 57.399 56.400 0.020 0.000 0.810 246 E CB -0.512 29.188 29.700 -0.001 0.000 0.742 246 E HN 0.352 nan 8.360 nan 0.000 0.466 247 C N 0.221 119.643 119.300 0.203 0.000 2.413 247 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 247 C C 2.424 177.529 174.990 0.191 0.000 1.248 247 C CA 0.458 59.647 59.018 0.284 0.000 1.742 247 C CB -1.418 26.470 27.740 0.247 0.000 2.017 247 C HN 0.300 nan 8.230 nan 0.000 0.481 248 F N 1.304 121.404 119.950 0.249 0.000 2.604 248 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 248 F C 2.264 178.174 175.800 0.183 0.000 1.131 248 F CA 1.068 59.228 58.000 0.267 0.000 1.457 248 F CB -0.454 38.767 39.000 0.369 0.000 1.095 248 F HN 0.276 nan 8.300 nan 0.000 0.574 249 K N -0.263 120.182 120.400 0.076 0.000 2.361 249 K HA 0.130 4.450 4.320 -0.000 0.000 0.196 249 K C 0.628 177.164 176.600 -0.106 0.000 1.039 249 K CA 0.287 56.289 56.287 -0.475 0.000 1.001 249 K CB 0.051 32.011 32.500 -0.900 0.000 0.795 249 K HN 0.265 nan 8.250 nan 0.000 0.495 250 M N 2.030 121.702 119.600 0.121 0.000 2.228 250 M HA 0.054 4.533 4.480 -0.000 0.000 0.351 250 M C -1.750 174.729 176.300 0.297 0.000 1.233 250 M CA -1.527 53.900 55.300 0.213 0.000 1.129 250 M CB 0.303 33.096 32.600 0.322 0.000 1.604 250 M HN -0.228 nan 8.290 nan 0.000 0.457 251 P HA -0.150 nan 4.420 nan 0.000 0.221 251 P C 0.543 178.033 177.300 0.318 0.000 1.145 251 P CA 1.265 64.531 63.100 0.276 0.000 0.795 251 P CB 0.140 31.968 31.700 0.213 0.000 0.775 252 Q N -1.151 118.870 119.800 0.369 0.000 2.444 252 Q HA 0.077 4.417 4.340 -0.000 0.000 0.206 252 Q C 0.795 177.103 176.000 0.513 0.000 0.948 252 Q CA 0.176 56.224 55.803 0.409 0.000 0.946 252 Q CB -0.480 28.473 28.738 0.358 0.000 1.027 252 Q HN 0.055 nan 8.270 nan 0.000 0.513 253 S N 0.260 116.261 115.700 0.501 0.000 2.516 253 S HA 0.111 4.581 4.470 -0.000 0.000 0.282 253 S C 0.456 175.188 174.600 0.220 0.000 1.286 253 S CA -0.197 58.205 58.200 0.336 0.000 1.066 253 S CB 0.232 63.614 63.200 0.303 0.000 0.884 253 S HN 0.399 nan 8.310 nan 0.000 0.491 254 L N 5.281 126.548 121.223 0.073 0.000 2.700 254 L HA 0.345 4.685 4.340 -0.000 0.000 0.234 254 L C 1.472 178.479 176.870 0.229 0.000 1.156 254 L CA 0.165 55.110 54.840 0.175 0.000 0.946 254 L CB -1.006 41.136 42.059 0.139 0.000 1.216 254 L HN 1.050 nan 8.230 nan 0.000 0.493 255 G N 0.915 109.758 108.800 0.071 0.000 2.498 255 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.245 255 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.245 255 G C -0.461 174.484 174.900 0.074 0.000 1.204 255 G CA -0.212 44.977 45.100 0.148 0.000 0.933 255 G HN 0.592 nan 8.290 nan 0.000 0.574 256 A N -1.347 121.711 122.820 0.397 0.000 2.574 256 A HA 0.768 5.087 4.320 -0.000 0.000 0.297 256 A C -0.518 177.426 177.584 0.601 0.000 1.062 256 A CA -0.290 51.992 52.037 0.408 0.000 0.686 256 A CB 1.194 20.489 19.000 0.492 0.000 1.285 256 A HN 1.427 nan 8.150 nan 0.000 0.403 257 L N 1.304 122.784 121.223 0.428 0.000 2.334 257 L HA 0.789 5.129 4.340 -0.000 0.000 0.277 257 L C 0.831 177.977 176.870 0.460 0.000 1.075 257 L CA -0.026 55.065 54.840 0.418 0.000 0.804 257 L CB 1.513 43.706 42.059 0.223 0.000 1.174 257 L HN 1.037 nan 8.230 nan 0.000 0.438 258 G N 0.285 109.414 108.800 0.549 0.000 2.488 258 G HA2 0.647 4.607 3.960 -0.000 0.000 0.301 258 G HA3 0.647 4.607 3.960 -0.000 0.000 0.301 258 G C -0.865 174.347 174.900 0.520 0.000 1.339 258 G CA -0.081 45.344 45.100 0.542 0.000 0.803 258 G HN 0.967 nan 8.290 nan 0.000 0.482 259 G N -0.781 108.274 108.800 0.425 0.000 2.484 259 G HA2 0.475 4.435 3.960 -0.000 0.000 0.685 259 G HA3 0.475 4.435 3.960 -0.000 0.000 0.685 259 G C -0.270 174.737 174.900 0.178 0.000 1.294 259 G CA 0.048 45.314 45.100 0.278 0.000 0.879 259 G HN 1.328 nan 8.290 nan 0.000 0.646 260 K N 0.272 120.692 120.400 0.032 0.000 2.180 260 K HA 0.510 4.830 4.320 -0.000 0.000 0.251 260 K C -2.428 173.906 176.600 -0.444 0.000 1.014 260 K CA -1.174 55.051 56.287 -0.103 0.000 0.913 260 K CB 0.709 33.155 32.500 -0.089 0.000 1.008 260 K HN 0.192 nan 8.250 nan 0.000 0.490 261 P HA -0.048 nan 4.420 nan 0.000 0.261 261 P C -0.928 175.633 177.300 -1.232 0.000 1.173 261 P CA 0.744 62.825 63.100 -1.698 0.000 0.760 261 P CB -0.040 31.154 31.700 -0.843 0.000 0.783 262 N N 0.845 118.518 118.700 -1.712 0.000 2.828 262 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 262 N C -0.333 175.059 175.510 -0.197 0.000 1.044 262 N CA 0.675 53.387 53.050 -0.563 0.000 0.851 262 N CB -1.378 36.946 38.487 -0.272 0.000 1.136 262 N HN 0.529 nan 8.380 nan 0.000 0.572 263 N N -0.415 118.110 118.700 -0.291 0.000 2.628 263 N HA 0.296 5.036 4.740 -0.000 0.000 0.299 263 N C -0.793 174.414 175.510 -0.505 0.000 1.834 263 N CA 0.060 52.880 53.050 -0.384 0.000 0.871 263 N CB 0.925 39.218 38.487 -0.322 0.000 1.377 263 N HN 0.263 nan 8.380 nan 0.000 0.493 264 A N 0.783 123.539 122.820 -0.106 0.000 2.401 264 A HA 0.563 4.883 4.320 -0.000 0.000 0.259 264 A C -0.910 176.449 177.584 -0.376 0.000 1.103 264 A CA 0.283 52.288 52.037 -0.055 0.000 0.789 264 A CB 0.207 19.374 19.000 0.278 0.000 1.035 264 A HN 0.260 nan 8.150 nan 0.000 0.491 265 Y N -0.230 120.113 120.300 0.072 0.000 2.570 265 Y HA 0.460 5.009 4.550 -0.000 0.000 0.345 265 Y C -0.588 175.228 175.900 -0.140 0.000 1.014 265 Y CA -0.940 57.058 58.100 -0.171 0.000 1.063 265 Y CB 1.418 39.410 38.460 -0.780 0.000 1.272 265 Y HN 0.625 nan 8.280 nan 0.000 0.477 266 Y N 2.830 123.120 120.300 -0.016 0.000 2.434 266 Y HA 0.501 5.051 4.550 -0.000 0.000 0.341 266 Y C -1.589 174.333 175.900 0.036 0.000 0.965 266 Y CA -2.257 55.878 58.100 0.058 0.000 1.205 266 Y CB -0.267 38.271 38.460 0.129 0.000 1.121 266 Y HN 0.432 nan 8.280 nan 0.000 0.507 267 F N 7.414 127.503 119.950 0.231 0.000 2.438 267 F HA 0.236 4.763 4.527 -0.000 0.000 0.356 267 F C 1.220 177.025 175.800 0.009 0.000 1.099 267 F CA -0.295 57.809 58.000 0.173 0.000 1.185 267 F CB 0.779 39.982 39.000 0.337 0.000 1.115 267 F HN 0.566 nan 8.300 nan 0.000 0.526 268 I N -0.473 120.129 120.570 0.053 0.000 4.227 268 I HA 0.684 4.853 4.170 -0.000 0.000 0.334 268 I C 0.698 176.906 176.117 0.152 0.000 1.341 268 I CA 0.032 61.340 61.300 0.014 0.000 1.123 268 I CB 0.353 38.255 38.000 -0.163 0.000 1.097 268 I HN 0.595 nan 8.210 nan 0.000 0.399 269 G N 1.785 110.475 108.800 -0.184 0.000 2.348 269 G HA2 0.457 4.417 3.960 -0.000 0.000 0.296 269 G HA3 0.457 4.417 3.960 -0.000 0.000 0.296 269 G C -1.835 172.847 174.900 -0.364 0.000 1.258 269 G CA -0.198 44.730 45.100 -0.287 0.000 0.868 269 G HN 0.374 nan 8.290 nan 0.000 0.488 270 F N -1.470 118.319 119.950 -0.268 0.000 2.719 270 F HA 0.849 5.375 4.527 -0.000 0.000 0.309 270 F C -2.058 173.729 175.800 -0.022 0.000 1.138 270 F CA -1.323 56.559 58.000 -0.197 0.000 0.943 270 F CB 1.890 40.719 39.000 -0.284 0.000 1.304 270 F HN 0.655 nan 8.300 nan 0.000 0.445 271 L N 3.558 124.791 121.223 0.017 0.000 2.491 271 L HA 0.631 4.971 4.340 -0.000 0.000 0.267 271 L C 0.311 177.269 176.870 0.147 0.000 0.971 271 L CA 0.347 55.167 54.840 -0.033 0.000 0.857 271 L CB 1.141 43.169 42.059 -0.052 0.000 1.226 271 L HN 1.485 nan 8.230 nan 0.000 0.408 272 G N 4.399 113.333 108.800 0.223 0.000 2.583 272 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.292 272 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.292 272 G C 0.200 175.237 174.900 0.229 0.000 1.203 272 G CA 0.479 45.703 45.100 0.206 0.000 0.987 272 G HN 0.689 nan 8.290 nan 0.000 0.554 273 D N 2.455 122.925 120.400 0.117 0.000 2.325 273 D HA 0.232 4.871 4.640 -0.000 0.000 0.225 273 D C 0.676 177.003 176.300 0.045 0.000 1.096 273 D CA 0.530 54.566 54.000 0.060 0.000 0.844 273 D CB 0.273 41.096 40.800 0.038 0.000 0.925 273 D HN 0.556 nan 8.370 nan 0.000 0.513 274 E N 0.541 120.789 120.200 0.080 0.000 2.171 274 E HA 0.367 4.717 4.350 -0.000 0.000 0.271 274 E C -0.144 176.496 176.600 0.067 0.000 0.916 274 E CA -0.589 55.850 56.400 0.064 0.000 0.774 274 E CB 2.302 32.040 29.700 0.063 0.000 1.128 274 E HN 0.002 nan 8.360 nan 0.000 0.403 275 L N 3.895 125.144 121.223 0.043 0.000 2.371 275 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 275 L C -0.008 176.992 176.870 0.218 0.000 1.124 275 L CA -0.364 54.504 54.840 0.048 0.000 0.816 275 L CB 0.422 42.471 42.059 -0.018 0.000 1.129 275 L HN 0.410 nan 8.230 nan 0.000 0.448 276 I N 3.375 124.006 120.570 0.102 0.000 2.353 276 I HA 0.358 4.528 4.170 -0.000 0.000 0.293 276 I C -0.427 175.753 176.117 0.105 0.000 0.992 276 I CA -0.308 61.000 61.300 0.014 0.000 1.268 276 I CB 0.954 38.900 38.000 -0.090 0.000 1.387 276 I HN 0.378 nan 8.210 nan 0.000 0.478 277 F N 4.771 124.652 119.950 -0.115 0.000 2.599 277 F HA 0.742 5.268 4.527 -0.000 0.000 0.311 277 F C -1.500 174.195 175.800 -0.175 0.000 1.076 277 F CA -1.210 56.647 58.000 -0.237 0.000 0.937 277 F CB 0.914 39.570 39.000 -0.574 0.000 1.282 277 F HN 0.083 nan 8.300 nan 0.000 0.460 278 L N 2.001 123.264 121.223 0.067 0.000 2.334 278 L HA 0.425 4.765 4.340 -0.000 0.000 0.277 278 L C -0.886 176.223 176.870 0.398 0.000 1.075 278 L CA -0.480 54.438 54.840 0.130 0.000 0.804 278 L CB 1.199 43.394 42.059 0.228 0.000 1.174 278 L HN 0.653 nan 8.230 nan 0.000 0.438 279 D N 3.709 124.372 120.400 0.438 0.000 2.481 279 D HA 0.279 4.919 4.640 -0.000 0.000 0.246 279 D C -2.004 174.573 176.300 0.462 0.000 1.109 279 D CA -1.867 52.477 54.000 0.573 0.000 0.845 279 D CB 2.235 43.346 40.800 0.519 0.000 1.160 279 D HN 0.168 nan 8.370 nan 0.000 0.534 280 P HA 0.056 nan 4.420 nan 0.000 0.249 280 P C -0.155 176.747 177.300 -0.663 0.000 1.229 280 P CA 0.109 63.003 63.100 -0.342 0.000 0.788 280 P CB -0.085 31.324 31.700 -0.486 0.000 1.072 281 H N -0.240 118.702 119.070 -0.214 0.000 2.820 281 H HA 0.264 4.820 4.556 -0.000 0.000 0.291 281 H C -0.150 175.159 175.328 -0.031 0.000 1.412 281 H CA 0.370 56.253 56.048 -0.276 0.000 1.176 281 H CB -0.666 29.079 29.762 -0.028 0.000 1.467 281 H HN -0.086 nan 8.280 nan 0.000 0.517 282 T N 0.587 115.131 114.554 -0.017 0.000 2.840 282 T HA 0.203 4.552 4.350 -0.000 0.000 0.287 282 T C 0.182 174.907 174.700 0.040 0.000 0.991 282 T CA -0.832 61.312 62.100 0.074 0.000 0.964 282 T CB 1.438 70.372 68.868 0.110 0.000 0.954 282 T HN 0.185 nan 8.240 nan 0.000 0.438 283 T N 5.094 119.726 114.554 0.130 0.000 2.749 283 T HA 0.357 4.706 4.350 -0.000 0.000 0.295 283 T C 0.033 174.747 174.700 0.024 0.000 0.936 283 T CA -0.431 61.736 62.100 0.111 0.000 1.060 283 T CB 0.477 69.403 68.868 0.097 0.000 0.904 283 T HN 0.491 nan 8.240 nan 0.000 0.500 284 Q N 1.427 121.219 119.800 -0.013 0.000 2.399 284 Q HA 0.431 4.771 4.340 -0.000 0.000 0.276 284 Q C -0.371 175.637 176.000 0.012 0.000 1.098 284 Q CA -1.002 54.778 55.803 -0.037 0.000 0.827 284 Q CB 1.643 30.298 28.738 -0.139 0.000 1.386 284 Q HN 0.475 nan 8.270 nan 0.000 0.443 285 T N 1.687 116.254 114.554 0.021 0.000 2.916 285 T HA 0.063 4.412 4.350 -0.000 0.000 0.303 285 T C -0.188 174.599 174.700 0.145 0.000 1.025 285 T CA -0.169 61.978 62.100 0.077 0.000 1.142 285 T CB -0.009 68.890 68.868 0.052 0.000 0.947 285 T HN 0.326 nan 8.240 nan 0.000 0.544 286 F N 4.798 124.800 119.950 0.087 0.000 2.604 286 F HA 0.179 4.706 4.527 -0.000 0.000 0.393 286 F C -0.347 175.530 175.800 0.127 0.000 1.043 286 F CA -0.426 57.669 58.000 0.158 0.000 1.227 286 F CB -0.044 39.088 39.000 0.219 0.000 1.016 286 F HN 0.215 nan 8.300 nan 0.000 0.556 287 V N 6.860 126.612 119.914 -0.270 0.000 2.417 287 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 287 V C -0.276 175.451 176.094 -0.611 0.000 1.024 287 V CA -0.762 61.341 62.300 -0.328 0.000 0.861 287 V CB 1.483 33.330 31.823 0.039 0.000 0.985 287 V HN 0.718 nan 8.190 nan 0.000 0.436 288 D N 1.952 121.971 120.400 -0.635 0.000 2.340 288 D HA 0.481 5.121 4.640 -0.000 0.000 0.243 288 D C 0.126 176.339 176.300 -0.145 0.000 0.988 288 D CA -0.155 53.583 54.000 -0.436 0.000 0.959 288 D CB 2.244 42.789 40.800 -0.425 0.000 1.226 288 D HN 0.677 nan 8.370 nan 0.000 0.509 289 T N -0.276 114.239 114.554 -0.065 0.000 2.926 289 T HA 0.197 4.546 4.350 -0.000 0.000 0.307 289 T C 0.472 175.158 174.700 -0.024 0.000 1.059 289 T CA -0.567 61.514 62.100 -0.032 0.000 1.122 289 T CB 0.709 69.562 68.868 -0.026 0.000 0.972 289 T HN 0.194 nan 8.240 nan 0.000 0.545 290 E N 1.628 121.823 120.200 -0.008 0.000 2.385 290 E HA 0.133 4.482 4.350 -0.000 0.000 0.254 290 E C 1.177 177.777 176.600 -0.001 0.000 1.228 290 E CA -0.563 55.837 56.400 -0.001 0.000 0.956 290 E CB 0.503 30.211 29.700 0.013 0.000 1.116 290 E HN 0.914 nan 8.360 nan 0.000 0.507 291 E N 1.230 121.432 120.200 0.003 0.000 2.085 291 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 291 E C 1.203 177.803 176.600 -0.000 0.000 0.994 291 E CA 1.663 58.063 56.400 0.001 0.000 0.801 291 E CB -0.209 29.493 29.700 0.004 0.000 0.743 291 E HN 0.468 nan 8.360 nan 0.000 0.453 292 N N -0.296 118.407 118.700 0.005 0.000 2.575 292 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 292 N C 1.184 176.694 175.510 -0.001 0.000 1.200 292 N CA 1.113 54.166 53.050 0.005 0.000 0.897 292 N CB -0.149 38.347 38.487 0.015 0.000 0.990 292 N HN 0.306 nan 8.380 nan 0.000 0.449 293 G N -0.954 107.841 108.800 -0.009 0.000 2.205 293 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 293 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 293 G C 0.249 175.135 174.900 -0.023 0.000 0.980 293 G CA 0.909 45.996 45.100 -0.022 0.000 0.632 293 G HN 0.891 nan 8.290 nan 0.000 0.533 294 T N -2.427 112.126 114.554 -0.002 0.000 2.927 294 T HA 0.713 5.062 4.350 -0.000 0.000 0.281 294 T C -0.009 174.699 174.700 0.012 0.000 0.998 294 T CA -0.148 61.957 62.100 0.009 0.000 1.019 294 T CB 2.604 71.500 68.868 0.047 0.000 1.061 294 T HN 1.249 nan 8.240 nan 0.000 0.518 295 V N 2.204 122.127 119.914 0.015 0.000 2.555 295 V HA 0.436 4.556 4.120 -0.000 0.000 0.302 295 V C -0.162 175.998 176.094 0.110 0.000 1.038 295 V CA -1.133 61.188 62.300 0.035 0.000 0.887 295 V CB 1.487 33.303 31.823 -0.012 0.000 0.991 295 V HN 1.060 nan 8.190 nan 0.000 0.434 296 N N 4.435 123.222 118.700 0.145 0.000 2.434 296 N HA -0.008 4.732 4.740 -0.000 0.000 0.268 296 N C 0.578 176.290 175.510 0.337 0.000 1.256 296 N CA 0.454 53.631 53.050 0.211 0.000 0.914 296 N CB 1.039 39.625 38.487 0.164 0.000 1.088 296 N HN 0.847 nan 8.380 nan 0.000 0.478 297 D N 2.523 123.168 120.400 0.408 0.000 2.340 297 D HA -0.135 4.505 4.640 -0.000 0.000 0.220 297 D C 1.316 177.980 176.300 0.608 0.000 1.039 297 D CA 0.322 54.660 54.000 0.562 0.000 0.866 297 D CB -0.210 40.948 40.800 0.596 0.000 0.913 297 D HN 0.767 nan 8.370 nan 0.000 0.523 298 Q N 1.369 121.442 119.800 0.456 0.000 2.112 298 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 298 Q C 1.386 177.548 176.000 0.270 0.000 0.987 298 Q CA 2.454 58.484 55.803 0.378 0.000 0.858 298 Q CB -0.559 28.338 28.738 0.265 0.000 0.905 298 Q HN 0.322 nan 8.270 nan 0.000 0.420 299 T N -2.891 111.725 114.554 0.103 0.000 3.169 299 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 299 T C 0.438 174.932 174.700 -0.342 0.000 1.111 299 T CA -0.183 61.843 62.100 -0.124 0.000 1.010 299 T CB -0.155 68.524 68.868 -0.315 0.000 0.984 299 T HN 0.278 nan 8.240 nan 0.000 0.537 300 F N 1.253 121.211 119.950 0.014 0.000 2.668 300 F HA 0.407 4.933 4.527 -0.000 0.000 0.301 300 F C 0.700 176.214 175.800 -0.475 0.000 1.106 300 F CA -0.889 56.954 58.000 -0.261 0.000 1.289 300 F CB 0.190 38.972 39.000 -0.364 0.000 1.006 300 F HN 0.287 nan 8.300 nan 0.000 0.535 301 H N -0.689 118.443 119.070 0.104 0.000 2.840 301 H HA 0.209 4.765 4.556 -0.000 0.000 0.340 301 H C -0.915 174.354 175.328 -0.098 0.000 1.004 301 H CA -0.917 55.040 56.048 -0.150 0.000 1.288 301 H CB 1.892 31.172 29.762 -0.802 0.000 1.607 301 H HN -0.025 nan 8.280 nan 0.000 0.522 302 C N 5.118 124.207 119.300 -0.352 0.000 2.464 302 C HA 0.149 4.609 4.460 -0.000 0.000 0.370 302 C C 1.196 175.930 174.990 -0.427 0.000 1.267 302 C CA -0.315 58.148 59.018 -0.924 0.000 1.781 302 C CB -1.472 25.310 27.740 -1.596 0.000 2.431 302 C HN 0.641 nan 8.230 nan 0.000 0.556 303 L N 4.555 125.603 121.223 -0.292 0.000 2.640 303 L HA 0.251 4.591 4.340 -0.000 0.000 0.230 303 L C 1.388 178.158 176.870 -0.166 0.000 1.123 303 L CA 0.852 55.612 54.840 -0.134 0.000 0.900 303 L CB -0.704 41.344 42.059 -0.018 0.000 1.146 303 L HN 0.735 nan 8.230 nan 0.000 0.484 304 Q N -0.524 119.123 119.800 -0.255 0.000 2.421 304 Q HA 0.147 4.487 4.340 -0.000 0.000 0.255 304 Q C 0.444 176.323 176.000 -0.202 0.000 1.013 304 Q CA -0.044 55.633 55.803 -0.209 0.000 0.895 304 Q CB 0.446 29.041 28.738 -0.239 0.000 1.271 304 Q HN 0.146 nan 8.270 nan 0.000 0.460 305 S N 3.001 118.606 115.700 -0.158 0.000 2.546 305 S HA 0.074 4.544 4.470 -0.000 0.000 0.290 305 S C -2.095 172.381 174.600 -0.207 0.000 1.290 305 S CA -1.017 57.088 58.200 -0.157 0.000 1.069 305 S CB -0.196 62.931 63.200 -0.121 0.000 0.846 305 S HN 0.371 nan 8.310 nan 0.000 0.495 306 P HA 0.051 nan 4.420 nan 0.000 0.265 306 P C -0.352 176.748 177.300 -0.333 0.000 1.187 306 P CA 0.098 63.028 63.100 -0.284 0.000 0.766 306 P CB 0.348 31.908 31.700 -0.234 0.000 0.820 307 Q N 2.454 121.935 119.800 -0.531 0.000 2.222 307 Q HA 0.454 4.793 4.340 -0.000 0.000 0.252 307 Q C 0.318 175.898 176.000 -0.700 0.000 0.926 307 Q CA -0.642 54.749 55.803 -0.687 0.000 0.899 307 Q CB 1.711 29.794 28.738 -1.091 0.000 1.250 307 Q HN 0.465 nan 8.270 nan 0.000 0.441 308 R N 1.592 121.915 120.500 -0.295 0.000 2.725 308 R HA 0.728 5.068 4.340 -0.000 0.000 0.277 308 R C -1.120 175.327 176.300 0.245 0.000 0.987 308 R CA -0.816 55.287 56.100 0.005 0.000 0.901 308 R CB 1.546 31.835 30.300 -0.019 0.000 1.207 308 R HN 0.712 nan 8.270 nan 0.000 0.463 309 M N 0.752 120.557 119.600 0.341 0.000 2.446 309 M HA 0.406 4.886 4.480 -0.000 0.000 0.294 309 M C -1.136 175.238 176.300 0.124 0.000 1.158 309 M CA -0.915 54.519 55.300 0.222 0.000 0.899 309 M CB 2.269 34.992 32.600 0.206 0.000 1.687 309 M HN 0.567 nan 8.290 nan 0.000 0.455 310 N N 2.470 121.217 118.700 0.077 0.000 2.412 310 N HA 0.094 4.834 4.740 -0.000 0.000 0.258 310 N C 0.689 176.213 175.510 0.023 0.000 1.236 310 N CA 0.219 53.296 53.050 0.045 0.000 0.882 310 N CB 0.799 39.311 38.487 0.041 0.000 1.066 310 N HN 0.905 nan 8.380 nan 0.000 0.465 311 I N 3.385 123.948 120.570 -0.011 0.000 2.248 311 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 311 I C 1.859 177.986 176.117 0.017 0.000 1.107 311 I CA 1.078 62.349 61.300 -0.047 0.000 1.373 311 I CB -0.067 37.890 38.000 -0.072 0.000 1.055 311 I HN 0.567 nan 8.210 nan 0.000 0.418 312 L N 0.507 121.751 121.223 0.034 0.000 2.465 312 L HA -0.075 4.265 4.340 -0.000 0.000 0.224 312 L C 1.538 178.439 176.870 0.052 0.000 1.145 312 L CA 0.509 55.380 54.840 0.051 0.000 0.834 312 L CB -0.561 41.525 42.059 0.044 0.000 0.944 312 L HN 0.308 nan 8.230 nan 0.000 0.451 313 N N 0.050 118.778 118.700 0.047 0.000 2.398 313 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 313 N C 0.256 175.806 175.510 0.066 0.000 1.122 313 N CA 0.132 53.215 53.050 0.054 0.000 0.866 313 N CB 0.295 38.814 38.487 0.055 0.000 0.970 313 N HN 0.113 nan 8.380 nan 0.000 0.462 314 L N 1.503 122.761 121.223 0.059 0.000 2.326 314 L HA 0.184 4.523 4.340 -0.000 0.000 0.278 314 L C 0.489 177.416 176.870 0.095 0.000 1.092 314 L CA -0.407 54.476 54.840 0.072 0.000 0.810 314 L CB 0.582 42.632 42.059 -0.014 0.000 1.153 314 L HN 0.041 nan 8.230 nan 0.000 0.439 315 D N 6.252 126.722 120.400 0.116 0.000 2.506 315 D HA -0.019 4.621 4.640 -0.000 0.000 0.234 315 D C -1.746 174.618 176.300 0.107 0.000 1.143 315 D CA -0.731 53.334 54.000 0.110 0.000 0.871 315 D CB 1.514 42.390 40.800 0.126 0.000 1.190 315 D HN 0.459 nan 8.370 nan 0.000 0.459 316 P HA -0.023 nan 4.420 nan 0.000 0.233 316 P C -0.087 177.240 177.300 0.045 0.000 1.167 316 P CA 0.189 63.329 63.100 0.068 0.000 0.770 316 P CB 0.270 32.010 31.700 0.066 0.000 0.837 317 S N 0.944 116.691 115.700 0.078 0.000 2.400 317 S HA 0.349 4.819 4.470 -0.000 0.000 0.295 317 S C 0.492 175.152 174.600 0.099 0.000 1.113 317 S CA -0.496 57.751 58.200 0.078 0.000 1.064 317 S CB 0.422 63.690 63.200 0.114 0.000 0.990 317 S HN 0.026 nan 8.310 nan 0.000 0.502 318 V N 0.346 120.282 119.914 0.037 0.000 3.155 318 V HA 1.064 5.183 4.120 -0.000 0.000 0.313 318 V C -0.515 175.590 176.094 0.019 0.000 1.162 318 V CA -1.353 60.980 62.300 0.056 0.000 1.048 318 V CB 1.674 33.481 31.823 -0.026 0.000 1.092 318 V HN 0.745 nan 8.190 nan 0.000 0.447 319 A N 2.157 125.007 122.820 0.050 0.000 2.375 319 A HA 0.791 5.111 4.320 -0.000 0.000 0.295 319 A C -0.786 176.790 177.584 -0.013 0.000 1.066 319 A CA -0.679 51.356 52.037 -0.003 0.000 0.722 319 A CB 0.934 19.942 19.000 0.012 0.000 1.206 319 A HN 1.007 nan 8.150 nan 0.000 0.435 320 L N 1.883 123.043 121.223 -0.104 0.000 2.417 320 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 320 L C 0.954 177.665 176.870 -0.265 0.000 1.158 320 L CA -0.156 54.558 54.840 -0.210 0.000 0.819 320 L CB 0.996 42.916 42.059 -0.232 0.000 1.112 320 L HN 0.773 nan 8.230 nan 0.000 0.458 321 G N 1.618 110.160 108.800 -0.429 0.000 2.495 321 G HA2 0.732 4.692 3.960 -0.000 0.000 0.318 321 G HA3 0.732 4.692 3.960 -0.000 0.000 0.318 321 G C -1.428 173.063 174.900 -0.682 0.000 1.257 321 G CA -0.273 44.622 45.100 -0.342 0.000 0.962 321 G HN 0.296 nan 8.290 nan 0.000 0.483 322 F N 0.239 120.193 119.950 0.007 0.000 2.588 322 F HA 0.598 5.125 4.527 -0.000 0.000 0.310 322 F C -0.868 174.961 175.800 0.049 0.000 1.082 322 F CA -1.022 56.968 58.000 -0.015 0.000 0.929 322 F CB 2.722 41.539 39.000 -0.305 0.000 1.254 322 F HN 0.452 nan 8.300 nan 0.000 0.455 323 F N 2.657 122.697 119.950 0.150 0.000 2.477 323 F HA 0.664 5.191 4.527 -0.000 0.000 0.335 323 F C -1.152 174.712 175.800 0.107 0.000 1.130 323 F CA -1.233 56.824 58.000 0.095 0.000 0.948 323 F CB 0.969 40.023 39.000 0.089 0.000 1.154 323 F HN 0.459 nan 8.300 nan 0.000 0.439 324 C N 7.568 126.520 119.300 -0.581 0.000 2.335 324 C HA 0.309 4.769 4.460 -0.000 0.000 0.318 324 C C 1.469 176.076 174.990 -0.639 0.000 1.150 324 C CA -0.992 57.756 59.018 -0.450 0.000 1.466 324 C CB 0.407 28.115 27.740 -0.054 0.000 2.024 324 C HN 1.092 nan 8.230 nan 0.000 0.429 325 K N 1.740 121.637 120.400 -0.838 0.000 2.057 325 K HA -0.055 4.264 4.320 -0.000 0.000 0.207 325 K C 0.586 177.129 176.600 -0.095 0.000 1.049 325 K CA 1.498 57.498 56.287 -0.479 0.000 0.931 325 K CB 0.337 32.746 32.500 -0.152 0.000 0.714 325 K HN 0.773 nan 8.250 nan 0.000 0.440 326 E N -1.221 118.823 120.200 -0.261 0.000 2.410 326 E HA 0.042 4.392 4.350 -0.000 0.000 0.269 326 E C -0.213 175.715 176.600 -1.119 0.000 0.937 326 E CA -0.474 55.635 56.400 -0.486 0.000 0.793 326 E CB 1.647 31.202 29.700 -0.241 0.000 1.314 326 E HN 0.092 nan 8.360 nan 0.000 0.447 327 E N 1.466 120.782 120.200 -1.474 0.000 2.097 327 E HA -0.277 4.072 4.350 -0.000 0.000 0.196 327 E C 1.731 177.934 176.600 -0.661 0.000 1.000 327 E CA 2.119 57.604 56.400 -1.524 0.000 0.804 327 E CB 0.067 29.264 29.700 -0.839 0.000 0.740 327 E HN 0.452 nan 8.360 nan 0.000 0.454 328 K N 0.198 120.354 120.400 -0.406 0.000 2.103 328 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 328 K C 1.478 177.972 176.600 -0.177 0.000 1.048 328 K CA 1.823 57.976 56.287 -0.223 0.000 0.930 328 K CB -0.116 32.296 32.500 -0.147 0.000 0.716 328 K HN 0.096 nan 8.250 nan 0.000 0.444 329 D N 0.508 120.788 120.400 -0.199 0.000 2.117 329 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 329 D C 1.779 178.072 176.300 -0.011 0.000 0.982 329 D CA 0.991 54.933 54.000 -0.097 0.000 0.828 329 D CB -0.256 40.468 40.800 -0.127 0.000 0.967 329 D HN 0.248 nan 8.370 nan 0.000 0.464 330 F N 2.233 122.042 119.950 -0.235 0.000 2.186 330 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 330 F C 1.681 177.490 175.800 0.015 0.000 1.090 330 F CA 1.120 59.069 58.000 -0.086 0.000 1.307 330 F CB -0.032 38.888 39.000 -0.133 0.000 1.019 330 F HN -0.252 nan 8.300 nan 0.000 0.489 331 D N 0.026 120.293 120.400 -0.222 0.000 2.097 331 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 331 D C 2.167 178.343 176.300 -0.206 0.000 0.989 331 D CA 1.250 55.093 54.000 -0.262 0.000 0.827 331 D CB -0.809 39.894 40.800 -0.161 0.000 0.966 331 D HN 0.387 nan 8.370 nan 0.000 0.456 332 N N -0.296 118.332 118.700 -0.121 0.000 2.069 332 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 332 N C 1.951 177.414 175.510 -0.077 0.000 1.031 332 N CA 1.101 54.104 53.050 -0.079 0.000 0.852 332 N CB -0.216 38.256 38.487 -0.026 0.000 1.018 332 N HN 0.255 nan 8.380 nan 0.000 0.423 333 W N 1.792 122.951 121.300 -0.234 0.000 2.358 333 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 333 W C 2.564 178.891 176.519 -0.319 0.000 1.208 333 W CA 1.117 58.309 57.345 -0.256 0.000 1.274 333 W CB -0.681 28.636 29.460 -0.239 0.000 1.138 333 W HN 0.100 nan 8.180 nan 0.000 0.515 334 C N -0.058 119.014 119.300 -0.381 0.000 2.413 334 C HA -0.191 4.269 4.460 -0.000 0.000 0.276 334 C C 2.928 177.646 174.990 -0.454 0.000 1.248 334 C CA 1.705 60.402 59.018 -0.535 0.000 1.742 334 C CB -1.448 26.006 27.740 -0.477 0.000 2.017 334 C HN 0.385 nan 8.230 nan 0.000 0.481 335 S N 0.898 116.403 115.700 -0.326 0.000 2.368 335 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 335 S C 1.715 176.153 174.600 -0.269 0.000 1.030 335 S CA 1.236 59.287 58.200 -0.248 0.000 0.999 335 S CB -0.335 62.761 63.200 -0.172 0.000 0.844 335 S HN 0.566 nan 8.310 nan 0.000 0.459 336 L N 0.867 121.907 121.223 -0.306 0.000 2.083 336 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 336 L C 2.290 178.929 176.870 -0.386 0.000 1.083 336 L CA 0.804 55.469 54.840 -0.291 0.000 0.752 336 L CB -0.672 41.239 42.059 -0.248 0.000 0.899 336 L HN 0.206 nan 8.230 nan 0.000 0.433 337 V N -0.425 119.125 119.914 -0.606 0.000 2.307 337 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 337 V C 2.433 178.256 176.094 -0.451 0.000 1.045 337 V CA 1.592 63.505 62.300 -0.644 0.000 1.024 337 V CB -0.470 30.759 31.823 -0.990 0.000 0.651 337 V HN 0.467 nan 8.190 nan 0.000 0.449 338 Q N -0.202 119.369 119.800 -0.381 0.000 2.135 338 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 338 Q C 2.323 178.194 176.000 -0.216 0.000 0.981 338 Q CA 2.034 57.677 55.803 -0.266 0.000 0.856 338 Q CB -0.212 28.395 28.738 -0.218 0.000 0.902 338 Q HN 0.592 nan 8.270 nan 0.000 0.425 339 K N 0.034 120.307 120.400 -0.211 0.000 2.076 339 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 339 K C 1.431 177.942 176.600 -0.149 0.000 1.051 339 K CA 1.052 57.245 56.287 -0.156 0.000 0.949 339 K CB 0.405 32.825 32.500 -0.133 0.000 0.726 339 K HN 0.028 nan 8.250 nan 0.000 0.443 340 E N -0.100 119.993 120.200 -0.179 0.000 2.413 340 E HA 0.045 4.395 4.350 -0.000 0.000 0.203 340 E C 1.802 178.306 176.600 -0.160 0.000 0.957 340 E CA 0.245 56.559 56.400 -0.144 0.000 0.950 340 E CB 0.602 30.227 29.700 -0.125 0.000 0.957 340 E HN 0.280 nan 8.360 nan 0.000 0.497 341 I N 0.392 120.813 120.570 -0.248 0.000 2.899 341 I HA 0.014 4.184 4.170 -0.000 0.000 0.257 341 I C 2.284 178.229 176.117 -0.287 0.000 1.115 341 I CA 0.475 61.585 61.300 -0.317 0.000 1.451 341 I CB -0.845 36.795 38.000 -0.600 0.000 1.251 341 I HN 0.016 nan 8.210 nan 0.000 0.456 342 L N 1.445 122.493 121.223 -0.292 0.000 2.362 342 L HA -0.145 4.194 4.340 -0.000 0.000 0.219 342 L C 2.354 179.136 176.870 -0.146 0.000 1.134 342 L CA 0.889 55.596 54.840 -0.223 0.000 0.807 342 L CB -0.532 41.399 42.059 -0.214 0.000 0.927 342 L HN 0.366 nan 8.230 nan 0.000 0.447 343 K N -0.374 119.946 120.400 -0.133 0.000 2.365 343 K HA -0.021 4.299 4.320 -0.000 0.000 0.199 343 K C 0.472 177.028 176.600 -0.074 0.000 1.045 343 K CA 0.461 56.691 56.287 -0.094 0.000 0.962 343 K CB 0.008 32.456 32.500 -0.087 0.000 0.759 343 K HN 0.160 nan 8.250 nan 0.000 0.469 344 E N 1.559 121.714 120.200 -0.076 0.000 2.366 344 E HA -0.023 4.327 4.350 -0.000 0.000 0.266 344 E C 0.056 176.629 176.600 -0.045 0.000 1.051 344 E CA -0.094 56.274 56.400 -0.053 0.000 0.884 344 E CB 1.054 30.732 29.700 -0.037 0.000 1.006 344 E HN 0.153 nan 8.360 nan 0.000 0.417 345 N N 1.667 120.343 118.700 -0.040 0.000 2.171 345 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 345 N C 0.124 175.623 175.510 -0.017 0.000 1.021 345 N CA 0.850 53.881 53.050 -0.032 0.000 0.854 345 N CB 0.153 38.619 38.487 -0.035 0.000 0.994 345 N HN 0.336 nan 8.380 nan 0.000 0.426 346 L N 2.027 123.238 121.223 -0.020 0.000 2.288 346 L HA 0.359 4.699 4.340 -0.000 0.000 0.283 346 L C -0.096 176.857 176.870 0.137 0.000 1.072 346 L CA -0.430 54.426 54.840 0.028 0.000 0.862 346 L CB 0.929 42.937 42.059 -0.085 0.000 1.245 346 L HN 0.048 nan 8.230 nan 0.000 0.432 347 R N 2.118 122.693 120.500 0.125 0.000 2.390 347 R HA 0.189 4.529 4.340 -0.000 0.000 0.291 347 R C 1.022 177.397 176.300 0.125 0.000 1.070 347 R CA -0.270 55.870 56.100 0.066 0.000 1.014 347 R CB 1.553 31.828 30.300 -0.043 0.000 1.007 347 R HN 0.636 nan 8.270 nan 0.000 0.466 348 M N 2.774 122.392 119.600 0.029 0.000 2.156 348 M HA 0.005 4.484 4.480 -0.000 0.000 0.264 348 M C -0.445 175.878 176.300 0.038 0.000 1.067 348 M CA 1.780 57.030 55.300 -0.084 0.000 1.131 348 M CB 0.377 32.988 32.600 0.018 0.000 1.368 348 M HN 0.564 nan 8.290 nan 0.000 0.416 349 F N -2.124 117.797 119.950 -0.048 0.000 2.741 349 F HA 0.618 5.144 4.527 -0.000 0.000 0.313 349 F C -1.419 174.378 175.800 -0.004 0.000 1.153 349 F CA -1.393 56.596 58.000 -0.019 0.000 0.931 349 F CB 0.683 39.697 39.000 0.022 0.000 1.335 349 F HN -0.262 nan 8.300 nan 0.000 0.460 350 E N 1.400 121.732 120.200 0.220 0.000 2.207 350 E HA 0.583 4.933 4.350 -0.000 0.000 0.270 350 E C -1.737 174.979 176.600 0.195 0.000 0.927 350 E CA -0.862 55.594 56.400 0.094 0.000 0.799 350 E CB 2.869 32.615 29.700 0.077 0.000 1.172 350 E HN 0.700 nan 8.360 nan 0.000 0.404 351 L N 2.506 123.771 121.223 0.070 0.000 2.372 351 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 351 L C -0.993 175.905 176.870 0.046 0.000 0.989 351 L CA -0.824 54.072 54.840 0.094 0.000 0.841 351 L CB 1.443 43.496 42.059 -0.010 0.000 1.225 351 L HN 0.357 nan 8.230 nan 0.000 0.414 352 V N 2.068 122.030 119.914 0.081 0.000 2.815 352 V HA 0.598 4.717 4.120 -0.000 0.000 0.314 352 V C 0.628 176.765 176.094 0.071 0.000 1.064 352 V CA -0.523 61.810 62.300 0.055 0.000 0.952 352 V CB 1.840 33.692 31.823 0.047 0.000 1.020 352 V HN 0.827 nan 8.190 nan 0.000 0.439 353 Q N 2.411 122.243 119.800 0.054 0.000 2.020 353 Q HA 0.139 4.479 4.340 -0.000 0.000 0.198 353 Q C 0.574 176.626 176.000 0.086 0.000 0.974 353 Q CA 1.785 57.628 55.803 0.067 0.000 0.829 353 Q CB 0.106 28.871 28.738 0.044 0.000 0.894 353 Q HN 0.811 nan 8.270 nan 0.000 0.433 354 K N -0.070 120.377 120.400 0.078 0.000 2.267 354 K HA 0.205 4.525 4.320 -0.000 0.000 0.246 354 K C -1.137 175.532 176.600 0.115 0.000 0.954 354 K CA -1.030 55.317 56.287 0.100 0.000 0.824 354 K CB 1.204 33.754 32.500 0.083 0.000 1.167 354 K HN 0.166 nan 8.250 nan 0.000 0.431 355 H N 3.822 122.926 119.070 0.058 0.000 3.157 355 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 355 H C -1.261 174.095 175.328 0.046 0.000 0.961 355 H CA -0.615 55.468 56.048 0.058 0.000 1.428 355 H CB 0.753 30.546 29.762 0.051 0.000 1.459 355 H HN 0.339 nan 8.280 nan 0.000 0.566 356 P HA -0.187 nan 4.420 nan 0.000 0.223 356 P C 0.028 177.366 177.300 0.063 0.000 1.144 356 P CA 1.314 64.408 63.100 -0.009 0.000 0.783 356 P CB -0.055 31.604 31.700 -0.067 0.000 0.771 357 S N 0.000 115.805 115.700 0.175 0.000 2.498 357 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 357 S CA 0.000 58.307 58.200 0.179 0.000 1.107 357 S CB 0.000 63.271 63.200 0.118 0.000 0.593 357 S HN 0.000 nan 8.310 nan 0.000 0.517