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 1nws_1_C DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.892 175.900 -0.013 0.000 1.272 22 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 22 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 23 K N 2.871 123.344 120.400 0.121 0.000 2.326 23 K HA 0.511 4.831 4.320 0.000 0.000 0.275 23 K C -0.749 175.835 176.600 -0.027 0.000 1.018 23 K CA -0.638 55.640 56.287 -0.016 0.000 0.962 23 K CB 1.002 33.321 32.500 -0.302 0.000 0.953 23 K HN 0.376 nan 8.250 nan 0.000 0.475 24 L N 4.025 125.252 121.223 0.006 0.000 2.457 24 L HA 0.215 4.556 4.340 0.000 0.000 0.252 24 L C -1.289 175.580 176.870 -0.002 0.000 1.132 24 L CA -0.586 54.259 54.840 0.007 0.000 0.938 24 L CB 1.199 43.283 42.059 0.042 0.000 1.246 24 L HN 0.287 nan 8.230 nan 0.000 0.476 25 V N 3.292 123.156 119.914 -0.083 0.000 2.439 25 V HA 0.225 4.345 4.120 0.000 0.000 0.271 25 V C 0.207 176.320 176.094 0.032 0.000 1.040 25 V CA -0.122 62.135 62.300 -0.071 0.000 1.002 25 V CB 0.454 32.174 31.823 -0.171 0.000 1.000 25 V HN 0.782 nan 8.190 nan 0.000 0.477 26 c N 5.438 124.039 118.600 0.001 0.000 2.417 26 c HA 0.603 5.173 4.570 0.000 0.000 0.324 26 c C -0.222 173.821 174.090 -0.079 0.000 1.240 26 c CA -1.169 55.171 56.329 0.018 0.000 1.632 26 c CB 0.577 43.081 42.510 -0.010 0.000 2.241 26 c HN 0.748 nan 8.230 nan 0.000 0.499 27 Y N 1.207 121.469 120.300 -0.064 0.000 2.323 27 Y HA 0.476 5.027 4.550 0.000 0.000 0.331 27 Y C -0.104 175.557 175.900 -0.399 0.000 1.092 27 Y CA 0.004 57.950 58.100 -0.258 0.000 1.150 27 Y CB 0.818 38.974 38.460 -0.507 0.000 1.200 27 Y HN 0.710 nan 8.280 nan 0.000 0.472 28 Y N 2.684 122.757 120.300 -0.379 0.000 2.376 28 Y HA 0.478 5.029 4.550 0.000 0.000 0.340 28 Y C -0.550 174.875 175.900 -0.792 0.000 0.965 28 Y CA -1.204 56.588 58.100 -0.513 0.000 1.078 28 Y CB 1.364 39.611 38.460 -0.355 0.000 1.193 28 Y HN 0.621 nan 8.280 nan 0.000 0.452 29 T N 1.476 114.895 114.554 -1.892 0.000 2.771 29 T HA 0.266 4.616 4.350 0.000 0.000 0.281 29 T C 0.952 174.389 174.700 -2.106 0.000 0.982 29 T CA -0.097 60.758 62.100 -2.076 0.000 0.978 29 T CB 1.241 68.494 68.868 -2.692 0.000 0.930 29 T HN 0.754 nan 8.240 nan 0.000 0.447 30 S N 2.273 117.137 115.700 -1.394 0.000 2.419 30 S HA -0.149 4.321 4.470 0.000 0.000 0.233 30 S C 1.595 175.840 174.600 -0.592 0.000 1.016 30 S CA 0.804 58.531 58.200 -0.788 0.000 0.974 30 S CB -1.023 61.988 63.200 -0.316 0.000 0.786 30 S HN 1.016 nan 8.310 nan 0.000 0.492 31 W N 2.870 123.889 121.300 -0.469 0.000 2.825 31 W HA 0.261 4.921 4.660 0.000 0.000 0.243 31 W C 1.789 178.079 176.519 -0.383 0.000 1.293 31 W CA 0.299 57.445 57.345 -0.331 0.000 1.403 31 W CB -0.901 28.521 29.460 -0.062 0.000 1.134 31 W HN 0.345 nan 8.180 nan 0.000 0.666 32 S N 0.955 116.172 115.700 -0.804 0.000 2.555 32 S HA -0.239 4.231 4.470 0.000 0.000 0.230 32 S C 1.763 176.114 174.600 -0.415 0.000 0.978 32 S CA 0.958 58.826 58.200 -0.553 0.000 0.934 32 S CB -0.778 61.992 63.200 -0.717 0.000 0.766 32 S HN 0.725 nan 8.310 nan 0.000 0.533 33 Q N -0.052 119.354 119.800 -0.656 0.000 2.167 33 Q HA -0.111 4.230 4.340 0.000 0.000 0.202 33 Q C 1.082 176.917 176.000 -0.275 0.000 0.970 33 Q CA 1.170 56.501 55.803 -0.786 0.000 0.855 33 Q CB -0.765 27.187 28.738 -1.311 0.000 0.911 33 Q HN 0.652 nan 8.270 nan 0.000 0.438 34 Y N 1.288 121.624 120.300 0.061 0.000 2.546 34 Y HA 0.190 4.741 4.550 0.000 0.000 0.287 34 Y C 0.584 176.592 175.900 0.181 0.000 1.158 34 Y CA -0.370 57.829 58.100 0.166 0.000 1.307 34 Y CB -0.103 38.473 38.460 0.193 0.000 1.036 34 Y HN -0.018 nan 8.280 nan 0.000 0.532 35 R N 2.150 122.814 120.500 0.274 0.000 2.585 35 R HA -0.031 4.309 4.340 0.000 0.000 0.275 35 R C 0.349 176.849 176.300 0.332 0.000 1.018 35 R CA 0.008 56.289 56.100 0.301 0.000 1.072 35 R CB 0.319 30.799 30.300 0.301 0.000 0.953 35 R HN 0.398 nan 8.270 nan 0.000 0.419 36 E N 0.603 120.992 120.200 0.316 0.000 2.458 36 E HA -0.017 4.333 4.350 0.000 0.000 0.264 36 E C 1.124 177.961 176.600 0.395 0.000 1.097 36 E CA 0.801 57.368 56.400 0.279 0.000 0.973 36 E CB 0.427 30.213 29.700 0.143 0.000 0.963 36 E HN 0.717 nan 8.360 nan 0.000 0.451 37 G N 3.074 112.059 108.800 0.308 0.000 2.660 37 G HA2 -0.412 3.548 3.960 0.000 0.000 0.338 37 G HA3 -0.412 3.548 3.960 0.000 0.000 0.338 37 G C 0.551 175.650 174.900 0.332 0.000 1.336 37 G CA 0.664 45.960 45.100 0.327 0.000 0.990 37 G HN 0.757 nan 8.290 nan 0.000 0.537 38 D N 1.263 121.847 120.400 0.307 0.000 2.354 38 D HA -0.028 4.612 4.640 0.000 0.000 0.216 38 D C 2.380 178.674 176.300 -0.010 0.000 0.970 38 D CA 1.558 55.611 54.000 0.088 0.000 0.905 38 D CB -0.903 39.876 40.800 -0.035 0.000 0.903 38 D HN 0.601 nan 8.370 nan 0.000 0.508 39 G N 0.539 109.422 108.800 0.138 0.000 2.422 39 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 39 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 39 G C 0.876 175.988 174.900 0.353 0.000 1.146 39 G CA 0.391 45.600 45.100 0.181 0.000 0.769 39 G HN 0.321 nan 8.290 nan 0.000 0.547 40 S N -0.629 115.276 115.700 0.341 0.000 2.626 40 S HA 0.149 4.619 4.470 0.000 0.000 0.303 40 S C -0.139 174.622 174.600 0.268 0.000 1.256 40 S CA -0.174 58.194 58.200 0.281 0.000 1.069 40 S CB -0.212 63.198 63.200 0.349 0.000 0.807 40 S HN 0.444 nan 8.310 nan 0.000 0.500 41 C N 7.126 126.403 119.300 -0.039 0.000 2.431 41 C HA 0.794 5.254 4.460 0.000 0.000 0.321 41 C C -1.177 173.690 174.990 -0.205 0.000 1.202 41 C CA -0.840 58.014 59.018 -0.274 0.000 1.398 41 C CB -0.368 26.894 27.740 -0.796 0.000 2.047 41 C HN 0.852 nan 8.230 nan 0.000 0.465 42 F N 5.241 125.130 119.950 -0.101 0.000 2.561 42 F HA 0.491 5.018 4.527 0.000 0.000 0.321 42 F C -1.489 174.126 175.800 -0.308 0.000 1.065 42 F CA -1.903 56.033 58.000 -0.106 0.000 0.934 42 F CB 1.606 40.575 39.000 -0.051 0.000 1.215 42 F HN 0.361 nan 8.300 nan 0.000 0.471 43 P HA -0.225 nan 4.420 nan 0.000 0.217 43 P C 1.049 178.234 177.300 -0.192 0.000 1.151 43 P CA 1.812 64.622 63.100 -0.484 0.000 0.849 43 P CB 0.044 31.529 31.700 -0.359 0.000 0.787 44 D N -0.756 119.608 120.400 -0.061 0.000 2.350 44 D HA -0.077 4.563 4.640 0.000 0.000 0.216 44 D C 1.297 177.606 176.300 0.014 0.000 0.968 44 D CA 0.894 54.876 54.000 -0.030 0.000 0.894 44 D CB -0.569 40.219 40.800 -0.020 0.000 0.909 44 D HN 0.147 nan 8.370 nan 0.000 0.520 45 A N 0.261 123.107 122.820 0.044 0.000 2.307 45 A HA 0.287 4.608 4.320 0.000 0.000 0.218 45 A C 1.023 178.737 177.584 0.218 0.000 1.228 45 A CA -0.376 51.743 52.037 0.137 0.000 0.857 45 A CB -0.168 18.936 19.000 0.174 0.000 0.897 45 A HN 0.193 nan 8.150 nan 0.000 0.495 46 L N 0.458 121.731 121.223 0.082 0.000 2.334 46 L HA 0.268 4.608 4.340 0.000 0.000 0.277 46 L C -0.252 176.583 176.870 -0.059 0.000 1.075 46 L CA -0.859 53.997 54.840 0.027 0.000 0.804 46 L CB 1.014 42.990 42.059 -0.138 0.000 1.174 46 L HN 0.131 nan 8.230 nan 0.000 0.438 47 D N 2.258 122.537 120.400 -0.201 0.000 2.338 47 D HA 0.028 4.668 4.640 0.000 0.000 0.255 47 D C 1.284 177.467 176.300 -0.195 0.000 1.237 47 D CA -0.296 53.623 54.000 -0.135 0.000 0.883 47 D CB 0.927 41.636 40.800 -0.153 0.000 1.087 47 D HN 0.502 nan 8.370 nan 0.000 0.485 48 R N 2.749 123.116 120.500 -0.222 0.000 2.193 48 R HA -0.115 4.225 4.340 0.000 0.000 0.229 48 R C 0.940 176.935 176.300 -0.508 0.000 1.110 48 R CA 1.188 57.044 56.100 -0.406 0.000 0.988 48 R CB -0.369 29.591 30.300 -0.565 0.000 0.871 48 R HN 0.299 nan 8.270 nan 0.000 0.458 49 F N -0.028 119.879 119.950 -0.072 0.000 2.749 49 F HA 0.201 4.728 4.527 0.000 0.000 0.300 49 F C 1.639 177.400 175.800 -0.064 0.000 1.103 49 F CA -0.532 57.435 58.000 -0.056 0.000 1.342 49 F CB 0.067 39.047 39.000 -0.032 0.000 1.098 49 F HN -0.048 nan 8.300 nan 0.000 0.586 50 L N -0.302 120.928 121.223 0.011 0.000 1.994 50 L HA -0.080 4.260 4.340 0.000 0.000 0.208 50 L C 0.822 177.669 176.870 -0.037 0.000 1.071 50 L CA 1.377 56.187 54.840 -0.050 0.000 0.745 50 L CB -0.301 41.615 42.059 -0.238 0.000 0.892 50 L HN 0.085 nan 8.230 nan 0.000 0.431 51 c N -2.044 116.517 118.600 -0.066 0.000 2.505 51 c HA 0.512 5.082 4.570 0.000 0.000 0.358 51 c C 1.898 175.986 174.090 -0.004 0.000 1.226 51 c CA -0.009 56.306 56.329 -0.023 0.000 1.900 51 c CB 1.296 43.783 42.510 -0.038 0.000 2.306 51 c HN 0.571 nan 8.230 nan 0.000 0.512 52 T N -2.321 112.268 114.554 0.057 0.000 3.044 52 T HA 0.122 4.472 4.350 0.000 0.000 0.255 52 T C 0.114 174.774 174.700 -0.066 0.000 1.073 52 T CA 0.940 63.068 62.100 0.047 0.000 1.125 52 T CB -0.209 68.764 68.868 0.175 0.000 0.908 52 T HN 0.787 nan 8.240 nan 0.000 0.480 53 H N -0.387 118.649 119.070 -0.056 0.000 2.771 53 H HA 0.688 5.245 4.556 0.000 0.000 0.361 53 H C -1.152 174.144 175.328 -0.054 0.000 1.108 53 H CA -1.005 55.022 56.048 -0.036 0.000 1.201 53 H CB 1.572 31.316 29.762 -0.031 0.000 1.681 53 H HN 0.182 nan 8.280 nan 0.000 0.534 54 I N 3.902 124.510 120.570 0.063 0.000 2.466 54 I HA 0.346 4.516 4.170 0.000 0.000 0.289 54 I C -0.561 175.571 176.117 0.024 0.000 1.026 54 I CA -0.510 60.792 61.300 0.004 0.000 1.078 54 I CB 1.674 39.659 38.000 -0.024 0.000 1.249 54 I HN 0.382 nan 8.210 nan 0.000 0.429 55 I N 5.958 126.465 120.570 -0.106 0.000 2.354 55 I HA 0.249 4.419 4.170 0.000 0.000 0.292 55 I C -0.832 175.280 176.117 -0.009 0.000 0.989 55 I CA -0.807 60.416 61.300 -0.127 0.000 1.188 55 I CB 1.494 39.178 38.000 -0.527 0.000 1.342 55 I HN 0.467 nan 8.210 nan 0.000 0.457 56 Y N 5.419 125.723 120.300 0.007 0.000 2.336 56 Y HA 0.310 4.861 4.550 0.000 0.000 0.335 56 Y C -0.044 175.837 175.900 -0.031 0.000 1.046 56 Y CA 0.237 58.383 58.100 0.077 0.000 1.198 56 Y CB 1.026 39.609 38.460 0.205 0.000 1.182 56 Y HN 0.496 nan 8.280 nan 0.000 0.502 57 S N 6.385 121.778 115.700 -0.511 0.000 2.532 57 S HA 0.632 5.102 4.470 0.000 0.000 0.299 57 S C -1.441 172.808 174.600 -0.585 0.000 1.105 57 S CA -0.504 57.260 58.200 -0.727 0.000 1.018 57 S CB 0.650 63.000 63.200 -1.417 0.000 1.021 57 S HN 0.521 nan 8.310 nan 0.000 0.483 58 F N 1.007 120.981 119.950 0.040 0.000 2.620 58 F HA 0.774 5.301 4.527 0.000 0.000 0.320 58 F C 0.309 176.257 175.800 0.247 0.000 1.069 58 F CA -0.971 57.101 58.000 0.120 0.000 0.953 58 F CB 1.372 40.366 39.000 -0.012 0.000 1.322 58 F HN 0.603 nan 8.300 nan 0.000 0.479 59 A N 1.566 124.692 122.820 0.510 0.000 2.312 59 A HA 0.613 4.933 4.320 0.000 0.000 0.328 59 A C -0.571 177.303 177.584 0.483 0.000 1.158 59 A CA -0.465 51.852 52.037 0.466 0.000 0.821 59 A CB 0.854 20.025 19.000 0.284 0.000 1.170 59 A HN 0.738 nan 8.150 nan 0.000 0.490 60 N N 0.065 119.083 118.700 0.530 0.000 2.538 60 N HA 0.626 5.366 4.740 0.000 0.000 0.292 60 N C -0.995 174.667 175.510 0.253 0.000 1.262 60 N CA -0.495 52.875 53.050 0.534 0.000 0.976 60 N CB 0.643 39.397 38.487 0.445 0.000 1.161 60 N HN 0.496 nan 8.380 nan 0.000 0.598 61 I N 0.527 121.198 120.570 0.168 0.000 2.497 61 I HA 0.238 4.408 4.170 0.000 0.000 0.284 61 I C -0.918 175.160 176.117 -0.064 0.000 1.060 61 I CA -0.469 60.832 61.300 0.003 0.000 1.071 61 I CB 1.702 39.593 38.000 -0.182 0.000 1.216 61 I HN 0.262 nan 8.210 nan 0.000 0.442 62 S N 4.972 120.667 115.700 -0.009 0.000 2.502 62 S HA 0.398 4.869 4.470 0.000 0.000 0.304 62 S C 0.244 174.871 174.600 0.047 0.000 1.097 62 S CA -0.543 57.641 58.200 -0.025 0.000 1.045 62 S CB 1.301 64.482 63.200 -0.032 0.000 1.019 62 S HN 0.736 nan 8.310 nan 0.000 0.481 63 N N 2.693 121.407 118.700 0.023 0.000 2.735 63 N HA -0.153 4.587 4.740 0.000 0.000 0.248 63 N C -0.934 174.705 175.510 0.215 0.000 1.083 63 N CA 1.095 54.197 53.050 0.086 0.000 0.703 63 N CB -1.056 37.467 38.487 0.060 0.000 1.005 63 N HN 0.831 nan 8.380 nan 0.000 0.550 64 D N -1.835 118.622 120.400 0.095 0.000 2.837 64 D HA -0.208 4.432 4.640 0.000 0.000 0.230 64 D C -0.294 176.062 176.300 0.093 0.000 1.152 64 D CA 1.306 55.342 54.000 0.060 0.000 0.736 64 D CB -1.552 39.272 40.800 0.041 0.000 1.084 64 D HN 0.663 nan 8.370 nan 0.000 0.429 65 H N -0.818 118.306 119.070 0.089 0.000 2.600 65 H HA 0.530 5.086 4.556 0.000 0.000 0.357 65 H C 0.051 175.440 175.328 0.102 0.000 1.106 65 H CA -0.959 55.166 56.048 0.127 0.000 1.193 65 H CB 1.306 31.117 29.762 0.082 0.000 1.594 65 H HN 0.028 nan 8.280 nan 0.000 0.526 66 I N 2.327 123.009 120.570 0.187 0.000 2.683 66 I HA 0.106 4.276 4.170 0.000 0.000 0.286 66 I C -0.251 175.658 176.117 -0.346 0.000 1.175 66 I CA 0.820 62.091 61.300 -0.048 0.000 1.429 66 I CB -0.165 37.703 38.000 -0.219 0.000 1.371 66 I HN 0.694 nan 8.210 nan 0.000 0.569 67 D N 3.944 124.198 120.400 -0.243 0.000 2.583 67 D HA 0.420 5.060 4.640 0.000 0.000 0.248 67 D C -0.820 175.568 176.300 0.147 0.000 1.209 67 D CA -0.130 53.829 54.000 -0.069 0.000 0.848 67 D CB 1.580 42.428 40.800 0.080 0.000 1.431 67 D HN 0.666 nan 8.370 nan 0.000 0.436 68 T N -1.158 113.600 114.554 0.339 0.000 2.734 68 T HA 0.052 4.402 4.350 0.000 0.000 0.314 68 T C 0.374 175.297 174.700 0.370 0.000 1.057 68 T CA -0.266 62.066 62.100 0.387 0.000 1.047 68 T CB 0.866 69.878 68.868 0.240 0.000 0.991 68 T HN 0.565 nan 8.240 nan 0.000 0.540 69 W N 0.313 121.751 121.300 0.230 0.000 3.875 69 W HA 0.347 5.007 4.660 0.000 0.000 0.221 69 W C 0.230 176.884 176.519 0.224 0.000 0.947 69 W CA 0.046 57.526 57.345 0.226 0.000 2.039 69 W CB -0.023 29.615 29.460 0.296 0.000 0.954 69 W HN 0.677 nan 8.180 nan 0.000 0.792 70 E N 2.060 122.629 120.200 0.614 0.000 2.283 70 E HA 0.042 4.392 4.350 0.000 0.000 0.278 70 E C 1.430 178.151 176.600 0.202 0.000 1.027 70 E CA -0.248 56.428 56.400 0.461 0.000 0.843 70 E CB 0.178 30.102 29.700 0.372 0.000 1.062 70 E HN 0.211 nan 8.360 nan 0.000 0.401 71 W N 5.129 126.561 121.300 0.220 0.000 2.313 71 W HA -0.239 4.421 4.660 0.000 0.000 0.293 71 W C 0.371 176.964 176.519 0.124 0.000 1.216 71 W CA 1.493 58.924 57.345 0.144 0.000 1.223 71 W CB -0.662 28.877 29.460 0.131 0.000 1.138 71 W HN 0.536 nan 8.180 nan 0.000 0.535 72 N N 0.534 118.628 118.700 -1.011 0.000 2.275 72 N HA -0.041 4.700 4.740 0.000 0.000 0.236 72 N C 0.508 175.722 175.510 -0.494 0.000 1.154 72 N CA 0.144 52.639 53.050 -0.926 0.000 0.866 72 N CB -0.621 36.891 38.487 -1.625 0.000 1.093 72 N HN -0.095 nan 8.380 nan 0.000 0.515 73 D N 1.196 121.369 120.400 -0.379 0.000 2.106 73 D HA -0.134 4.506 4.640 0.000 0.000 0.191 73 D C 1.920 177.605 176.300 -1.024 0.000 0.997 73 D CA 1.149 54.815 54.000 -0.556 0.000 0.834 73 D CB -0.041 40.455 40.800 -0.507 0.000 0.956 73 D HN 0.069 nan 8.370 nan 0.000 0.448 74 V N 1.124 120.545 119.914 -0.823 0.000 2.278 74 V HA -0.309 3.811 4.120 0.000 0.000 0.251 74 V C 2.543 178.466 176.094 -0.285 0.000 1.062 74 V CA 2.285 64.248 62.300 -0.563 0.000 1.038 74 V CB -1.051 30.654 31.823 -0.198 0.000 0.646 74 V HN 0.255 nan 8.190 nan 0.000 0.447 75 T N 0.579 114.995 114.554 -0.230 0.000 2.684 75 T HA -0.156 4.194 4.350 0.000 0.000 0.267 75 T C 1.849 176.494 174.700 -0.092 0.000 1.036 75 T CA 1.735 63.759 62.100 -0.127 0.000 1.148 75 T CB -0.354 68.442 68.868 -0.120 0.000 0.863 75 T HN 0.345 nan 8.240 nan 0.000 0.436 76 L N -0.501 120.659 121.223 -0.106 0.000 2.141 76 L HA -0.070 4.270 4.340 0.000 0.000 0.209 76 L C 2.555 179.434 176.870 0.014 0.000 1.094 76 L CA 1.118 55.974 54.840 0.026 0.000 0.763 76 L CB -0.730 41.434 42.059 0.175 0.000 0.908 76 L HN 0.228 nan 8.230 nan 0.000 0.437 77 Y N 0.948 121.102 120.300 -0.243 0.000 2.097 77 Y HA -0.165 4.385 4.550 0.000 0.000 0.282 77 Y C 2.670 178.391 175.900 -0.299 0.000 1.152 77 Y CA 1.086 58.976 58.100 -0.350 0.000 1.136 77 Y CB -1.448 36.821 38.460 -0.319 0.000 0.975 77 Y HN 0.110 nan 8.280 nan 0.000 0.498 78 G N -0.874 107.911 108.800 -0.026 0.000 2.422 78 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 78 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 78 G C 1.871 176.717 174.900 -0.090 0.000 1.146 78 G CA 0.860 45.911 45.100 -0.081 0.000 0.769 78 G HN 0.349 nan 8.290 nan 0.000 0.547 79 M N -0.395 119.168 119.600 -0.062 0.000 2.108 79 M HA -0.020 4.460 4.480 0.000 0.000 0.261 79 M C 2.353 178.598 176.300 -0.093 0.000 1.066 79 M CA 1.253 56.516 55.300 -0.061 0.000 1.107 79 M CB -0.075 32.512 32.600 -0.021 0.000 1.356 79 M HN 0.309 nan 8.290 nan 0.000 0.406 80 L N 0.600 121.763 121.223 -0.100 0.000 2.044 80 L HA -0.132 4.209 4.340 0.000 0.000 0.205 80 L C 1.755 178.529 176.870 -0.161 0.000 1.075 80 L CA 1.855 56.620 54.840 -0.125 0.000 0.747 80 L CB -0.947 41.080 42.059 -0.054 0.000 0.903 80 L HN 0.278 nan 8.230 nan 0.000 0.435 81 N N -0.814 117.758 118.700 -0.213 0.000 2.453 81 N HA -0.122 4.618 4.740 0.000 0.000 0.183 81 N C 1.562 176.964 175.510 -0.179 0.000 1.041 81 N CA 1.430 54.335 53.050 -0.240 0.000 0.900 81 N CB -0.273 38.011 38.487 -0.339 0.000 0.961 81 N HN 0.450 nan 8.380 nan 0.000 0.443 82 T N 1.672 116.138 114.554 -0.147 0.000 2.833 82 T HA 0.020 4.370 4.350 0.000 0.000 0.269 82 T C 2.051 176.671 174.700 -0.132 0.000 1.054 82 T CA 0.394 62.421 62.100 -0.121 0.000 1.135 82 T CB -0.069 68.741 68.868 -0.096 0.000 0.869 82 T HN 0.196 nan 8.240 nan 0.000 0.466 83 L N 0.502 121.634 121.223 -0.151 0.000 2.261 83 L HA -0.103 4.237 4.340 0.000 0.000 0.216 83 L C 2.447 179.188 176.870 -0.214 0.000 1.114 83 L CA 1.206 55.934 54.840 -0.186 0.000 0.777 83 L CB -0.439 41.503 42.059 -0.195 0.000 0.910 83 L HN 0.217 nan 8.230 nan 0.000 0.440 84 K N -0.442 119.849 120.400 -0.181 0.000 2.366 84 K HA -0.051 4.269 4.320 0.000 0.000 0.198 84 K C 1.619 178.135 176.600 -0.139 0.000 1.044 84 K CA 0.279 56.465 56.287 -0.169 0.000 0.973 84 K CB -0.030 32.379 32.500 -0.151 0.000 0.767 84 K HN 0.346 nan 8.250 nan 0.000 0.475 85 N N 1.534 120.160 118.700 -0.124 0.000 2.025 85 N HA -0.160 4.580 4.740 0.000 0.000 0.194 85 N C 1.535 177.002 175.510 -0.072 0.000 1.044 85 N CA 1.417 54.415 53.050 -0.088 0.000 0.851 85 N CB -0.209 38.234 38.487 -0.074 0.000 1.036 85 N HN 0.204 nan 8.380 nan 0.000 0.422 86 R N 0.048 120.498 120.500 -0.083 0.000 2.276 86 R HA 0.088 4.428 4.340 0.000 0.000 0.203 86 R C 0.168 176.447 176.300 -0.035 0.000 1.017 86 R CA 0.302 56.386 56.100 -0.028 0.000 1.010 86 R CB -0.065 30.239 30.300 0.007 0.000 0.900 86 R HN 0.104 nan 8.270 nan 0.000 0.469 87 N N 0.355 118.953 118.700 -0.169 0.000 2.664 87 N HA 0.166 4.907 4.740 0.000 0.000 0.257 87 N C -2.409 173.028 175.510 -0.123 0.000 1.108 87 N CA -2.155 50.790 53.050 -0.174 0.000 0.822 87 N CB 1.744 39.922 38.487 -0.515 0.000 1.199 87 N HN -0.238 nan 8.380 nan 0.000 0.529 88 P HA 0.031 nan 4.420 nan 0.000 0.220 88 P C 0.520 177.780 177.300 -0.065 0.000 1.148 88 P CA 0.999 64.064 63.100 -0.058 0.000 0.803 88 P CB 0.492 32.173 31.700 -0.030 0.000 0.782 89 N N -0.870 117.799 118.700 -0.052 0.000 2.331 89 N HA -0.036 4.704 4.740 0.000 0.000 0.180 89 N C 0.442 175.883 175.510 -0.114 0.000 1.019 89 N CA 0.167 53.180 53.050 -0.060 0.000 0.881 89 N CB -0.859 37.616 38.487 -0.020 0.000 0.972 89 N HN 0.087 nan 8.380 nan 0.000 0.435 90 L N 1.285 122.427 121.223 -0.134 0.000 2.584 90 L HA 0.046 4.386 4.340 0.000 0.000 0.272 90 L C 0.126 176.884 176.870 -0.187 0.000 1.195 90 L CA 0.344 55.080 54.840 -0.174 0.000 0.920 90 L CB 0.098 42.039 42.059 -0.196 0.000 1.173 90 L HN -0.110 nan 8.230 nan 0.000 0.489 91 K N 2.762 123.000 120.400 -0.270 0.000 2.123 91 K HA 0.648 4.968 4.320 0.000 0.000 0.259 91 K C -0.761 175.778 176.600 -0.102 0.000 0.960 91 K CA -0.367 55.778 56.287 -0.237 0.000 0.872 91 K CB 1.553 33.775 32.500 -0.463 0.000 1.079 91 K HN 0.727 nan 8.250 nan 0.000 0.440 92 T N 2.982 117.542 114.554 0.009 0.000 2.886 92 T HA 0.632 4.982 4.350 0.000 0.000 0.292 92 T C -1.310 173.547 174.700 0.263 0.000 1.012 92 T CA -0.651 61.524 62.100 0.125 0.000 0.982 92 T CB 0.780 69.693 68.868 0.076 0.000 1.018 92 T HN 0.225 nan 8.240 nan 0.000 0.451 93 L N 2.591 123.969 121.223 0.259 0.000 2.371 93 L HA 0.703 5.043 4.340 0.000 0.000 0.262 93 L C -1.086 175.730 176.870 -0.090 0.000 1.006 93 L CA -0.887 54.036 54.840 0.139 0.000 0.818 93 L CB 1.744 43.883 42.059 0.133 0.000 1.354 93 L HN 0.440 nan 8.230 nan 0.000 0.415 94 L N 0.976 121.947 121.223 -0.420 0.000 2.296 94 L HA 0.656 4.996 4.340 0.000 0.000 0.286 94 L C -0.114 176.708 176.870 -0.081 0.000 1.023 94 L CA 0.218 54.718 54.840 -0.567 0.000 0.812 94 L CB 1.600 42.991 42.059 -1.113 0.000 1.223 94 L HN 0.586 nan 8.230 nan 0.000 0.421 95 S N 4.202 119.969 115.700 0.112 0.000 2.438 95 S HA 0.578 5.048 4.470 0.000 0.000 0.293 95 S C -0.808 174.039 174.600 0.411 0.000 1.141 95 S CA -0.511 57.874 58.200 0.308 0.000 1.080 95 S CB 0.899 64.384 63.200 0.476 0.000 0.978 95 S HN 0.636 nan 8.310 nan 0.000 0.479 96 V N 6.070 126.183 119.914 0.332 0.000 2.483 96 V HA 0.881 5.002 4.120 0.000 0.000 0.295 96 V C 0.751 176.928 176.094 0.139 0.000 1.035 96 V CA 1.149 63.602 62.300 0.255 0.000 0.896 96 V CB 0.658 32.608 31.823 0.211 0.000 0.986 96 V HN 1.279 nan 8.190 nan 0.000 0.447 97 G N 4.163 112.895 108.800 -0.113 0.000 2.214 97 G HA2 0.491 4.452 3.960 0.000 0.000 0.200 97 G HA3 0.491 4.452 3.960 0.000 0.000 0.200 97 G C 0.710 175.183 174.900 -0.712 0.000 1.126 97 G CA 0.224 45.063 45.100 -0.434 0.000 1.284 97 G HN 2.602 nan 8.290 nan 0.000 0.493 98 G N -2.060 105.957 108.800 -1.306 0.000 2.661 98 G HA2 0.135 4.095 3.960 0.000 0.000 0.685 98 G HA3 0.135 4.095 3.960 0.000 0.000 0.685 98 G C 0.343 174.658 174.900 -0.975 0.000 1.298 98 G CA 0.569 44.437 45.100 -2.054 0.000 0.855 98 G HN 1.484 nan 8.290 nan 0.000 0.560 99 W N -0.198 120.823 121.300 -0.465 0.000 2.443 99 W HA 0.110 4.771 4.660 0.000 0.000 0.296 99 W C 2.291 178.747 176.519 -0.106 0.000 1.202 99 W CA 1.022 58.233 57.345 -0.223 0.000 1.312 99 W CB -0.182 29.171 29.460 -0.179 0.000 1.120 99 W HN 0.463 nan 8.180 nan 0.000 0.536 100 N N 0.142 118.901 118.700 0.098 0.000 2.515 100 N HA -0.057 4.683 4.740 0.000 0.000 0.191 100 N C 1.072 176.750 175.510 0.280 0.000 1.182 100 N CA 0.522 53.675 53.050 0.171 0.000 0.879 100 N CB -0.664 37.947 38.487 0.207 0.000 0.984 100 N HN 0.126 nan 8.380 nan 0.000 0.453 101 F N 1.158 121.137 119.950 0.047 0.000 2.039 101 F HA 0.113 4.640 4.527 0.000 0.000 0.294 101 F C 1.181 177.006 175.800 0.041 0.000 1.130 101 F CA 1.525 59.579 58.000 0.089 0.000 1.189 101 F CB -0.010 38.956 39.000 -0.057 0.000 0.983 101 F HN 0.122 nan 8.300 nan 0.000 0.471 102 G N -0.130 108.852 108.800 0.303 0.000 2.798 102 G HA2 -0.119 3.841 3.960 0.000 0.000 0.658 102 G HA3 -0.119 3.841 3.960 0.000 0.000 0.658 102 G C 0.566 175.642 174.900 0.294 0.000 1.148 102 G CA 0.114 45.324 45.100 0.184 0.000 1.200 102 G HN 0.739 nan 8.290 nan 0.000 0.519 103 S N 0.503 116.369 115.700 0.277 0.000 2.444 103 S HA -0.275 4.195 4.470 0.000 0.000 0.244 103 S C 2.174 176.932 174.600 0.263 0.000 1.025 103 S CA 2.009 60.406 58.200 0.328 0.000 0.995 103 S CB -0.129 63.315 63.200 0.407 0.000 0.781 103 S HN 0.678 nan 8.310 nan 0.000 0.496 104 Q N 1.840 121.747 119.800 0.179 0.000 2.030 104 Q HA -0.031 4.309 4.340 0.000 0.000 0.204 104 Q C 2.501 178.545 176.000 0.072 0.000 0.986 104 Q CA 1.649 57.520 55.803 0.113 0.000 0.843 104 Q CB -0.573 28.201 28.738 0.060 0.000 0.904 104 Q HN 0.703 nan 8.270 nan 0.000 0.420 105 R N -0.491 120.037 120.500 0.047 0.000 2.070 105 R HA -0.078 4.263 4.340 0.000 0.000 0.233 105 R C 2.289 178.603 176.300 0.024 0.000 1.137 105 R CA 1.045 57.135 56.100 -0.017 0.000 0.945 105 R CB -0.558 29.627 30.300 -0.193 0.000 0.845 105 R HN 0.138 nan 8.270 nan 0.000 0.430 106 F N 1.659 121.596 119.950 -0.023 0.000 2.154 106 F HA -0.266 4.262 4.527 0.000 0.000 0.301 106 F C 2.727 178.030 175.800 -0.828 0.000 1.087 106 F CA 1.459 59.069 58.000 -0.650 0.000 1.274 106 F CB -0.614 37.514 39.000 -1.454 0.000 1.009 106 F HN -0.031 nan 8.300 nan 0.000 0.485 107 S N -0.368 115.242 115.700 -0.150 0.000 2.343 107 S HA -0.213 4.258 4.470 0.000 0.000 0.219 107 S C 2.192 176.793 174.600 0.001 0.000 1.033 107 S CA 1.582 59.847 58.200 0.108 0.000 1.014 107 S CB -0.235 63.128 63.200 0.272 0.000 0.915 107 S HN 0.386 nan 8.310 nan 0.000 0.435 108 K N 0.592 120.978 120.400 -0.023 0.000 2.020 108 K HA -0.113 4.207 4.320 0.000 0.000 0.212 108 K C 2.090 178.640 176.600 -0.083 0.000 1.050 108 K CA 1.988 58.243 56.287 -0.053 0.000 0.929 108 K CB -0.549 31.923 32.500 -0.047 0.000 0.714 108 K HN 0.443 nan 8.250 nan 0.000 0.443 109 I N 0.967 121.469 120.570 -0.114 0.000 2.151 109 I HA -0.338 3.832 4.170 0.000 0.000 0.243 109 I C 2.538 178.613 176.117 -0.070 0.000 1.080 109 I CA 1.547 62.767 61.300 -0.134 0.000 1.339 109 I CB -0.486 37.339 38.000 -0.291 0.000 1.039 109 I HN 0.219 nan 8.210 nan 0.000 0.409 110 A N -0.653 122.141 122.820 -0.044 0.000 1.968 110 A HA -0.166 4.154 4.320 0.000 0.000 0.217 110 A C 2.463 180.037 177.584 -0.017 0.000 1.169 110 A CA 1.835 53.922 52.037 0.084 0.000 0.638 110 A CB -0.557 18.608 19.000 0.275 0.000 0.812 110 A HN 0.393 nan 8.150 nan 0.000 0.446 111 S N 0.195 115.767 115.700 -0.213 0.000 2.355 111 S HA -0.095 4.375 4.470 0.000 0.000 0.222 111 S C 1.078 175.557 174.600 -0.202 0.000 1.031 111 S CA 0.390 58.252 58.200 -0.563 0.000 0.993 111 S CB -0.501 62.401 63.200 -0.496 0.000 0.859 111 S HN 0.625 nan 8.310 nan 0.000 0.453 112 N N 1.162 119.805 118.700 -0.095 0.000 2.475 112 N HA 0.052 4.792 4.740 0.000 0.000 0.267 112 N C 0.669 176.182 175.510 0.005 0.000 1.169 112 N CA 0.468 53.501 53.050 -0.029 0.000 0.947 112 N CB 1.272 39.745 38.487 -0.024 0.000 1.061 112 N HN 0.222 nan 8.380 nan 0.000 0.466 113 T N 3.366 117.935 114.554 0.024 0.000 2.788 113 T HA -0.149 4.202 4.350 0.000 0.000 0.268 113 T C 1.438 176.156 174.700 0.030 0.000 1.044 113 T CA 1.407 63.529 62.100 0.036 0.000 1.139 113 T CB 0.115 69.006 68.868 0.038 0.000 0.867 113 T HN 0.541 nan 8.240 nan 0.000 0.454 114 Q N 0.951 120.765 119.800 0.023 0.000 2.020 114 Q HA 0.081 4.421 4.340 0.000 0.000 0.198 114 Q C 2.766 178.781 176.000 0.024 0.000 0.974 114 Q CA 1.209 57.026 55.803 0.022 0.000 0.829 114 Q CB -0.623 28.127 28.738 0.020 0.000 0.894 114 Q HN 0.352 nan 8.270 nan 0.000 0.433 115 S N 0.563 116.275 115.700 0.020 0.000 2.365 115 S HA -0.240 4.230 4.470 0.000 0.000 0.225 115 S C 1.850 176.486 174.600 0.060 0.000 1.039 115 S CA 1.574 59.786 58.200 0.020 0.000 1.033 115 S CB -0.283 62.910 63.200 -0.011 0.000 0.887 115 S HN 0.318 nan 8.310 nan 0.000 0.447 116 R N 1.016 121.557 120.500 0.069 0.000 2.083 116 R HA -0.153 4.188 4.340 0.000 0.000 0.237 116 R C 2.473 178.837 176.300 0.108 0.000 1.137 116 R CA 1.676 57.853 56.100 0.129 0.000 0.951 116 R CB -0.178 30.183 30.300 0.103 0.000 0.851 116 R HN 0.146 nan 8.270 nan 0.000 0.434 117 R N 0.244 120.773 120.500 0.048 0.000 2.070 117 R HA -0.075 4.265 4.340 0.000 0.000 0.233 117 R C 1.963 178.253 176.300 -0.016 0.000 1.137 117 R CA 2.577 58.684 56.100 0.011 0.000 0.945 117 R CB -1.059 29.246 30.300 0.008 0.000 0.845 117 R HN 0.250 nan 8.270 nan 0.000 0.430 118 T N 1.130 115.674 114.554 -0.016 0.000 2.607 118 T HA -0.187 4.163 4.350 0.000 0.000 0.267 118 T C 1.464 176.071 174.700 -0.155 0.000 1.049 118 T CA 1.739 63.778 62.100 -0.101 0.000 1.162 118 T CB -0.628 68.183 68.868 -0.095 0.000 0.863 118 T HN 0.321 nan 8.240 nan 0.000 0.424 119 F N 1.830 121.663 119.950 -0.194 0.000 2.069 119 F HA -0.096 4.431 4.527 0.000 0.000 0.298 119 F C 2.068 177.813 175.800 -0.091 0.000 1.113 119 F CA 0.914 58.816 58.000 -0.164 0.000 1.214 119 F CB -0.766 38.166 39.000 -0.113 0.000 0.978 119 F HN 0.115 nan 8.300 nan 0.000 0.474 120 I N 0.382 120.732 120.570 -0.367 0.000 2.163 120 I HA -0.347 3.823 4.170 0.000 0.000 0.243 120 I C 2.579 178.558 176.117 -0.231 0.000 1.085 120 I CA 1.927 62.984 61.300 -0.405 0.000 1.347 120 I CB -0.627 37.261 38.000 -0.187 0.000 1.044 120 I HN 0.178 nan 8.210 nan 0.000 0.408 121 K N 0.837 121.151 120.400 -0.143 0.000 2.211 121 K HA -0.166 4.154 4.320 0.000 0.000 0.203 121 K C 2.162 178.727 176.600 -0.060 0.000 1.050 121 K CA 1.631 57.874 56.287 -0.073 0.000 0.945 121 K CB 0.002 32.472 32.500 -0.049 0.000 0.732 121 K HN 0.371 nan 8.250 nan 0.000 0.451 122 S N -0.708 114.920 115.700 -0.120 0.000 2.527 122 S HA -0.022 4.448 4.470 0.000 0.000 0.222 122 S C 1.777 176.394 174.600 0.028 0.000 0.985 122 S CA 0.502 58.688 58.200 -0.024 0.000 0.921 122 S CB 0.053 63.207 63.200 -0.076 0.000 0.772 122 S HN 0.071 nan 8.310 nan 0.000 0.529 123 V N 2.939 122.807 119.914 -0.078 0.000 2.255 123 V HA -0.003 4.117 4.120 0.000 0.000 0.243 123 V C -0.313 175.818 176.094 0.063 0.000 1.038 123 V CA 1.577 63.868 62.300 -0.014 0.000 1.008 123 V CB -1.788 29.991 31.823 -0.074 0.000 0.645 123 V HN 0.349 nan 8.190 nan 0.000 0.449 124 P HA -0.123 nan 4.420 nan 0.000 0.216 124 P C -1.424 175.880 177.300 0.008 0.000 1.157 124 P CA 2.059 65.118 63.100 -0.069 0.000 0.880 124 P CB -1.237 30.432 31.700 -0.051 0.000 0.791 125 P HA -0.188 nan 4.420 nan 0.000 0.211 125 P C 1.518 178.890 177.300 0.120 0.000 1.179 125 P CA 1.102 64.248 63.100 0.077 0.000 0.910 125 P CB -0.580 31.185 31.700 0.108 0.000 0.785 126 F N -0.105 119.891 119.950 0.076 0.000 2.115 126 F HA -0.238 4.290 4.527 0.000 0.000 0.300 126 F C 2.001 177.924 175.800 0.205 0.000 1.092 126 F CA 1.541 59.648 58.000 0.178 0.000 1.245 126 F CB -0.782 38.345 39.000 0.211 0.000 0.995 126 F HN -0.224 nan 8.300 nan 0.000 0.481 127 L N -0.558 120.849 121.223 0.307 0.000 2.027 127 L HA -0.196 4.144 4.340 0.000 0.000 0.206 127 L C 2.707 179.627 176.870 0.083 0.000 1.074 127 L CA 1.011 55.988 54.840 0.228 0.000 0.745 127 L CB -0.646 41.463 42.059 0.084 0.000 0.898 127 L HN 0.003 nan 8.230 nan 0.000 0.433 128 R N -0.371 120.124 120.500 -0.009 0.000 2.096 128 R HA -0.094 4.246 4.340 0.000 0.000 0.235 128 R C 2.207 178.432 176.300 -0.125 0.000 1.127 128 R CA 1.545 57.605 56.100 -0.067 0.000 0.968 128 R CB -1.337 28.922 30.300 -0.068 0.000 0.861 128 R HN 0.320 nan 8.270 nan 0.000 0.440 129 T N 0.208 114.655 114.554 -0.178 0.000 2.759 129 T HA -0.131 4.219 4.350 0.000 0.000 0.269 129 T C 0.979 175.366 174.700 -0.521 0.000 1.042 129 T CA 1.544 63.425 62.100 -0.366 0.000 1.140 129 T CB -0.185 68.383 68.868 -0.500 0.000 0.864 129 T HN 0.497 nan 8.240 nan 0.000 0.455 130 H N -0.898 118.050 119.070 -0.202 0.000 2.549 130 H HA 0.435 4.992 4.556 0.000 0.000 0.279 130 H C 1.427 176.521 175.328 -0.389 0.000 1.018 130 H CA 0.159 56.066 56.048 -0.236 0.000 1.175 130 H CB 0.431 30.073 29.762 -0.200 0.000 1.485 130 H HN 0.388 nan 8.280 nan 0.000 0.543 131 G N 0.334 108.993 108.800 -0.235 0.000 2.149 131 G HA2 -0.272 3.688 3.960 0.000 0.000 0.235 131 G HA3 -0.272 3.688 3.960 0.000 0.000 0.235 131 G C -0.364 174.292 174.900 -0.406 0.000 1.018 131 G CA -0.370 44.547 45.100 -0.305 0.000 0.728 131 G HN 0.184 nan 8.290 nan 0.000 0.508 132 F N 0.304 120.183 119.950 -0.118 0.000 2.399 132 F HA 0.478 5.005 4.527 0.000 0.000 0.328 132 F C 1.294 177.036 175.800 -0.096 0.000 1.084 132 F CA -0.848 57.086 58.000 -0.110 0.000 1.053 132 F CB 1.097 40.032 39.000 -0.109 0.000 1.209 132 F HN -0.010 nan 8.300 nan 0.000 0.502 133 D N 0.826 121.313 120.400 0.145 0.000 2.354 133 D HA 0.233 4.873 4.640 0.000 0.000 0.209 133 D C 0.785 177.107 176.300 0.038 0.000 1.015 133 D CA 0.572 54.602 54.000 0.050 0.000 0.867 133 D CB 0.763 41.584 40.800 0.035 0.000 0.933 133 D HN 0.646 nan 8.370 nan 0.000 0.520 134 G N 0.340 109.185 108.800 0.074 0.000 2.441 134 G HA2 0.398 4.358 3.960 0.000 0.000 0.294 134 G HA3 0.398 4.358 3.960 0.000 0.000 0.294 134 G C -2.230 172.702 174.900 0.053 0.000 1.393 134 G CA -0.765 44.355 45.100 0.034 0.000 0.796 134 G HN 0.051 nan 8.290 nan 0.000 0.494 135 L N 0.019 121.334 121.223 0.153 0.000 2.334 135 L HA 0.881 5.222 4.340 0.000 0.000 0.273 135 L C -1.190 175.749 176.870 0.115 0.000 1.013 135 L CA -0.628 54.303 54.840 0.152 0.000 0.816 135 L CB 2.207 44.451 42.059 0.308 0.000 1.278 135 L HN 0.607 nan 8.230 nan 0.000 0.431 136 D N 3.231 123.695 120.400 0.107 0.000 2.549 136 D HA 0.358 4.998 4.640 0.000 0.000 0.251 136 D C -1.286 175.124 176.300 0.184 0.000 1.153 136 D CA -0.189 53.877 54.000 0.110 0.000 0.861 136 D CB 1.029 41.924 40.800 0.159 0.000 1.207 136 D HN 0.549 nan 8.370 nan 0.000 0.543 137 L N 3.123 124.431 121.223 0.141 0.000 2.315 137 L HA 0.542 4.882 4.340 0.000 0.000 0.283 137 L C 0.367 177.339 176.870 0.170 0.000 1.089 137 L CA -0.535 54.415 54.840 0.184 0.000 0.833 137 L CB 1.212 43.351 42.059 0.133 0.000 1.170 137 L HN 0.601 nan 8.230 nan 0.000 0.442 138 A N 4.586 127.494 122.820 0.147 0.000 3.201 138 A HA 0.144 4.465 4.320 0.000 0.000 0.312 138 A C -0.724 176.728 177.584 -0.219 0.000 1.011 138 A CA -0.477 51.560 52.037 -0.001 0.000 0.987 138 A CB -0.066 19.012 19.000 0.131 0.000 1.060 138 A HN 0.724 nan 8.150 nan 0.000 0.505 139 W N 2.671 123.672 121.300 -0.498 0.000 2.481 139 W HA 0.500 5.161 4.660 0.000 0.000 0.320 139 W C -1.344 174.764 176.519 -0.685 0.000 1.209 139 W CA -0.818 56.043 57.345 -0.807 0.000 1.400 139 W CB 0.151 28.967 29.460 -1.072 0.000 1.361 139 W HN 0.351 nan 8.180 nan 0.000 0.456 140 L N 9.092 130.070 121.223 -0.407 0.000 2.356 140 L HA 0.344 4.684 4.340 0.000 0.000 0.264 140 L C -1.118 175.507 176.870 -0.408 0.000 1.029 140 L CA -0.661 53.544 54.840 -1.059 0.000 0.897 140 L CB -0.140 40.831 42.059 -1.812 0.000 1.256 140 L HN 0.202 nan 8.230 nan 0.000 0.444 141 Y N 1.062 121.345 120.300 -0.027 0.000 2.609 141 Y HA 0.586 5.136 4.550 0.000 0.000 0.342 141 Y C -2.393 173.247 175.900 -0.432 0.000 1.058 141 Y CA -2.618 55.334 58.100 -0.248 0.000 1.055 141 Y CB 1.485 39.783 38.460 -0.271 0.000 1.292 141 Y HN 0.267 nan 8.280 nan 0.000 0.476 142 P HA 0.225 nan 4.420 nan 0.000 0.271 142 P C -0.229 176.813 177.300 -0.430 0.000 1.244 142 P CA -0.061 62.377 63.100 -1.102 0.000 0.793 142 P CB 0.625 31.348 31.700 -1.629 0.000 0.984 143 G N -1.086 107.571 108.800 -0.237 0.000 2.601 143 G HA2 0.485 4.445 3.960 0.000 0.000 0.317 143 G HA3 0.485 4.445 3.960 0.000 0.000 0.317 143 G C 1.049 175.860 174.900 -0.149 0.000 1.246 143 G CA -0.363 44.659 45.100 -0.129 0.000 1.012 143 G HN 0.390 nan 8.290 nan 0.000 0.494 144 R N -1.384 119.052 120.500 -0.106 0.000 2.127 144 R HA -0.004 4.336 4.340 0.000 0.000 0.238 144 R C 2.578 178.845 176.300 -0.054 0.000 1.134 144 R CA 2.372 58.415 56.100 -0.094 0.000 0.975 144 R CB -1.544 28.714 30.300 -0.069 0.000 0.865 144 R HN 0.869 nan 8.270 nan 0.000 0.447 145 R N 1.431 121.926 120.500 -0.008 0.000 2.307 145 R HA 0.010 4.350 4.340 0.000 0.000 0.199 145 R C 1.375 177.737 176.300 0.104 0.000 1.000 145 R CA 1.264 57.392 56.100 0.046 0.000 1.023 145 R CB -0.554 29.798 30.300 0.086 0.000 0.908 145 R HN 0.696 nan 8.270 nan 0.000 0.473 146 D N -0.900 119.538 120.400 0.065 0.000 2.398 146 D HA 0.028 4.668 4.640 0.000 0.000 0.210 146 D C 1.207 177.508 176.300 0.001 0.000 1.094 146 D CA 0.056 54.141 54.000 0.141 0.000 0.839 146 D CB 0.395 41.234 40.800 0.066 0.000 0.963 146 D HN 0.468 nan 8.370 nan 0.000 0.506 147 K N 1.052 121.412 120.400 -0.067 0.000 2.107 147 K HA -0.277 4.043 4.320 0.000 0.000 0.211 147 K C 1.767 178.388 176.600 0.036 0.000 1.049 147 K CA 1.595 57.862 56.287 -0.034 0.000 0.927 147 K CB 0.291 32.762 32.500 -0.050 0.000 0.714 147 K HN -0.098 nan 8.250 nan 0.000 0.452 148 Q N -0.931 118.843 119.800 -0.044 0.000 2.123 148 Q HA -0.036 4.304 4.340 0.000 0.000 0.196 148 Q C 1.992 177.999 176.000 0.011 0.000 0.958 148 Q CA 1.272 57.041 55.803 -0.056 0.000 0.841 148 Q CB -0.103 28.544 28.738 -0.151 0.000 0.915 148 Q HN 0.449 nan 8.270 nan 0.000 0.455 149 H N -0.898 118.255 119.070 0.138 0.000 2.352 149 H HA -0.153 4.403 4.556 0.000 0.000 0.299 149 H C 1.754 177.234 175.328 0.253 0.000 1.097 149 H CA 1.376 57.542 56.048 0.197 0.000 1.311 149 H CB -0.489 29.437 29.762 0.274 0.000 1.377 149 H HN 0.232 nan 8.280 nan 0.000 0.504 150 F N 1.817 121.868 119.950 0.169 0.000 2.171 150 F HA -0.202 4.325 4.527 0.000 0.000 0.300 150 F C 2.286 178.114 175.800 0.047 0.000 1.090 150 F CA 1.505 59.544 58.000 0.064 0.000 1.293 150 F CB -0.378 38.506 39.000 -0.194 0.000 1.013 150 F HN 0.009 nan 8.300 nan 0.000 0.486 151 T N -0.734 113.861 114.554 0.068 0.000 2.701 151 T HA -0.169 4.181 4.350 0.000 0.000 0.263 151 T C 1.923 176.585 174.700 -0.063 0.000 1.040 151 T CA 2.107 64.188 62.100 -0.031 0.000 1.147 151 T CB -0.753 68.135 68.868 0.033 0.000 0.865 151 T HN 0.248 nan 8.240 nan 0.000 0.426 152 T N 2.784 117.341 114.554 0.005 0.000 2.624 152 T HA -0.140 4.210 4.350 0.000 0.000 0.268 152 T C 1.907 176.579 174.700 -0.046 0.000 1.041 152 T CA 1.372 63.468 62.100 -0.006 0.000 1.159 152 T CB -0.657 68.257 68.868 0.077 0.000 0.863 152 T HN 0.121 nan 8.240 nan 0.000 0.434 153 L N 1.104 122.336 121.223 0.014 0.000 1.971 153 L HA -0.091 4.249 4.340 0.000 0.000 0.215 153 L C 2.259 179.044 176.870 -0.141 0.000 1.072 153 L CA 1.703 56.548 54.840 0.008 0.000 0.758 153 L CB -0.819 41.324 42.059 0.141 0.000 0.889 153 L HN 0.319 nan 8.230 nan 0.000 0.433 154 I N -0.527 119.885 120.570 -0.262 0.000 2.208 154 I HA -0.347 3.823 4.170 0.000 0.000 0.245 154 I C 2.624 178.547 176.117 -0.323 0.000 1.097 154 I CA 1.822 62.929 61.300 -0.321 0.000 1.363 154 I CB -0.529 37.229 38.000 -0.404 0.000 1.051 154 I HN 0.407 nan 8.210 nan 0.000 0.413 155 K N 1.379 121.555 120.400 -0.375 0.000 2.002 155 K HA -0.226 4.095 4.320 0.000 0.000 0.209 155 K C 1.950 178.283 176.600 -0.445 0.000 1.048 155 K CA 1.834 57.712 56.287 -0.683 0.000 0.930 155 K CB -0.078 32.069 32.500 -0.589 0.000 0.714 155 K HN 0.333 nan 8.250 nan 0.000 0.438 156 E N 0.127 120.159 120.200 -0.279 0.000 2.106 156 E HA -0.193 4.157 4.350 0.000 0.000 0.192 156 E C 1.962 178.422 176.600 -0.234 0.000 0.984 156 E CA 1.198 57.477 56.400 -0.201 0.000 0.806 156 E CB -0.089 29.541 29.700 -0.116 0.000 0.750 156 E HN 0.268 nan 8.360 nan 0.000 0.458 157 M N 1.313 120.732 119.600 -0.301 0.000 2.159 157 M HA -0.160 4.320 4.480 0.000 0.000 0.263 157 M C 1.970 177.854 176.300 -0.693 0.000 1.063 157 M CA 1.608 56.629 55.300 -0.465 0.000 1.110 157 M CB 0.052 32.359 32.600 -0.488 0.000 1.374 157 M HN -0.216 nan 8.290 nan 0.000 0.411 158 K N 0.205 120.288 120.400 -0.529 0.000 2.057 158 K HA 0.086 4.406 4.320 0.000 0.000 0.206 158 K C 1.831 178.315 176.600 -0.194 0.000 1.050 158 K CA 1.704 57.748 56.287 -0.404 0.000 0.935 158 K CB -0.832 31.535 32.500 -0.222 0.000 0.715 158 K HN 0.371 nan 8.250 nan 0.000 0.439 159 A N 0.843 123.556 122.820 -0.178 0.000 1.873 159 A HA -0.273 4.047 4.320 0.000 0.000 0.218 159 A C 2.181 179.750 177.584 -0.024 0.000 1.193 159 A CA 2.314 54.298 52.037 -0.088 0.000 0.629 159 A CB -0.956 17.982 19.000 -0.103 0.000 0.826 159 A HN 0.521 nan 8.150 nan 0.000 0.447 160 E N -0.686 119.493 120.200 -0.035 0.000 2.049 160 E HA -0.191 4.159 4.350 0.000 0.000 0.198 160 E C 1.658 178.386 176.600 0.213 0.000 1.007 160 E CA 1.676 58.113 56.400 0.062 0.000 0.809 160 E CB -0.503 29.228 29.700 0.051 0.000 0.749 160 E HN 0.496 nan 8.360 nan 0.000 0.450 161 F N 0.512 120.433 119.950 -0.050 0.000 2.120 161 F HA -0.161 4.366 4.527 0.000 0.000 0.300 161 F C 2.328 178.117 175.800 -0.019 0.000 1.095 161 F CA 0.952 58.932 58.000 -0.032 0.000 1.249 161 F CB -0.893 38.088 39.000 -0.031 0.000 0.995 161 F HN 0.124 nan 8.300 nan 0.000 0.480 162 I N -0.367 120.315 120.570 0.186 0.000 2.179 162 I HA -0.317 3.853 4.170 0.000 0.000 0.242 162 I C 2.551 178.708 176.117 0.067 0.000 1.088 162 I CA 1.382 62.741 61.300 0.099 0.000 1.357 162 I CB -0.501 37.536 38.000 0.061 0.000 1.051 162 I HN 0.077 nan 8.210 nan 0.000 0.409 163 K N 1.138 121.574 120.400 0.060 0.000 1.969 163 K HA -0.290 4.031 4.320 0.000 0.000 0.216 163 K C 2.217 178.839 176.600 0.036 0.000 1.048 163 K CA 1.929 58.239 56.287 0.039 0.000 0.948 163 K CB -0.313 32.207 32.500 0.033 0.000 0.726 163 K HN 0.116 nan 8.250 nan 0.000 0.442 164 E N 0.245 120.472 120.200 0.045 0.000 2.253 164 E HA -0.225 4.125 4.350 0.000 0.000 0.202 164 E C 1.247 177.850 176.600 0.005 0.000 1.014 164 E CA 1.671 58.084 56.400 0.021 0.000 0.823 164 E CB -0.057 29.650 29.700 0.012 0.000 0.736 164 E HN 0.469 nan 8.360 nan 0.000 0.478 165 A N -0.340 122.489 122.820 0.015 0.000 2.303 165 A HA 0.181 4.501 4.320 0.000 0.000 0.217 165 A C 2.186 179.776 177.584 0.011 0.000 1.205 165 A CA 1.029 53.070 52.037 0.006 0.000 0.875 165 A CB -0.298 18.707 19.000 0.008 0.000 0.910 165 A HN 0.351 nan 8.150 nan 0.000 0.501 166 Q N 1.291 121.102 119.800 0.018 0.000 2.103 166 Q HA -0.247 4.093 4.340 0.000 0.000 0.213 166 Q C 0.401 176.407 176.000 0.009 0.000 1.008 166 Q CA 2.353 58.166 55.803 0.015 0.000 0.879 166 Q CB -2.928 25.819 28.738 0.016 0.000 0.946 166 Q HN 0.693 nan 8.270 nan 0.000 0.413 167 P HA -0.048 nan 4.420 nan 0.000 0.217 167 P C 0.920 178.220 177.300 -0.000 0.000 1.148 167 P CA 2.138 65.239 63.100 0.001 0.000 0.828 167 P CB -0.169 31.530 31.700 -0.001 0.000 0.783 168 G N -1.460 107.340 108.800 -0.000 0.000 2.731 168 G HA2 -0.081 3.880 3.960 0.000 0.000 0.219 168 G HA3 -0.081 3.880 3.960 0.000 0.000 0.219 168 G C -0.041 174.855 174.900 -0.006 0.000 0.989 168 G CA -0.580 44.519 45.100 -0.002 0.000 0.871 168 G HN 0.307 nan 8.290 nan 0.000 0.591 169 K N 0.153 120.548 120.400 -0.008 0.000 2.127 169 K HA 0.486 4.806 4.320 0.000 0.000 0.240 169 K C 0.187 176.780 176.600 -0.012 0.000 1.024 169 K CA -0.693 55.584 56.287 -0.016 0.000 0.918 169 K CB 1.156 33.640 32.500 -0.026 0.000 1.108 169 K HN 0.054 nan 8.250 nan 0.000 0.485 170 K N 2.199 122.588 120.400 -0.018 0.000 2.315 170 K HA -0.033 4.287 4.320 0.000 0.000 0.291 170 K C -0.288 176.303 176.600 -0.015 0.000 1.074 170 K CA 0.010 56.290 56.287 -0.012 0.000 0.936 170 K CB 0.497 32.986 32.500 -0.017 0.000 1.049 170 K HN 0.378 nan 8.250 nan 0.000 0.471 171 Q N 4.218 124.021 119.800 0.006 0.000 2.283 171 Q HA -0.040 4.300 4.340 0.000 0.000 0.301 171 Q C -0.551 175.449 176.000 0.000 0.000 1.063 171 Q CA 0.050 55.862 55.803 0.015 0.000 0.952 171 Q CB 0.526 29.300 28.738 0.059 0.000 1.166 171 Q HN 0.591 nan 8.270 nan 0.000 0.381 172 L N 4.586 125.755 121.223 -0.090 0.000 2.456 172 L HA 0.068 4.409 4.340 0.000 0.000 0.272 172 L C 0.121 177.030 176.870 0.065 0.000 1.189 172 L CA -0.113 54.605 54.840 -0.203 0.000 0.846 172 L CB 0.173 41.747 42.059 -0.809 0.000 1.111 172 L HN 0.587 nan 8.230 nan 0.000 0.475 173 L N 3.750 125.037 121.223 0.107 0.000 2.395 173 L HA 0.337 4.678 4.340 0.000 0.000 0.269 173 L C -0.369 176.680 176.870 0.299 0.000 1.133 173 L CA -0.403 54.562 54.840 0.209 0.000 0.812 173 L CB 1.281 43.465 42.059 0.209 0.000 1.125 173 L HN 0.395 nan 8.230 nan 0.000 0.452 174 L N 3.092 124.415 121.223 0.168 0.000 2.372 174 L HA 0.517 4.858 4.340 0.000 0.000 0.274 174 L C -0.236 176.495 176.870 -0.232 0.000 0.988 174 L CA 0.187 55.045 54.840 0.031 0.000 0.833 174 L CB 1.642 43.626 42.059 -0.125 0.000 1.236 174 L HN 0.711 nan 8.230 nan 0.000 0.410 175 S N 3.468 118.966 115.700 -0.337 0.000 2.704 175 S HA 1.044 5.514 4.470 0.000 0.000 0.296 175 S C -0.737 173.706 174.600 -0.261 0.000 1.138 175 S CA -0.282 57.549 58.200 -0.615 0.000 0.875 175 S CB 1.949 64.281 63.200 -1.447 0.000 1.151 175 S HN 1.197 nan 8.310 nan 0.000 0.500 176 A N 0.008 122.722 122.820 -0.176 0.000 2.547 176 A HA 0.852 5.173 4.320 0.000 0.000 0.297 176 A C -0.574 177.065 177.584 0.091 0.000 1.056 176 A CA -0.472 51.563 52.037 -0.003 0.000 0.688 176 A CB 1.164 20.147 19.000 -0.029 0.000 1.282 176 A HN 1.777 nan 8.150 nan 0.000 0.400 177 A N 2.296 125.209 122.820 0.155 0.000 2.269 177 A HA 0.682 5.003 4.320 0.000 0.000 0.302 177 A C -0.452 177.177 177.584 0.075 0.000 1.266 177 A CA -0.163 51.980 52.037 0.177 0.000 0.894 177 A CB -0.152 18.969 19.000 0.201 0.000 1.147 177 A HN 0.815 nan 8.150 nan 0.000 0.537 178 L N 1.889 123.158 121.223 0.076 0.000 2.334 178 L HA 0.481 4.821 4.340 0.000 0.000 0.273 178 L C 0.868 177.891 176.870 0.254 0.000 1.013 178 L CA -0.734 54.155 54.840 0.081 0.000 0.816 178 L CB 2.002 43.973 42.059 -0.146 0.000 1.278 178 L HN 0.716 nan 8.230 nan 0.000 0.431 179 S N 0.844 116.822 115.700 0.463 0.000 2.568 179 S HA 0.268 4.739 4.470 0.000 0.000 0.282 179 S C 0.788 175.461 174.600 0.121 0.000 1.338 179 S CA 0.185 58.495 58.200 0.184 0.000 1.045 179 S CB 1.224 64.264 63.200 -0.266 0.000 0.873 179 S HN 0.717 nan 8.310 nan 0.000 0.516 180 A N 3.791 126.617 122.820 0.009 0.000 2.348 180 A HA 0.446 4.766 4.320 0.000 0.000 0.224 180 A C 1.024 178.749 177.584 0.235 0.000 1.227 180 A CA 0.227 52.335 52.037 0.118 0.000 0.885 180 A CB -0.462 18.569 19.000 0.051 0.000 0.933 180 A HN 0.949 nan 8.150 nan 0.000 0.506 181 G N -0.181 108.674 108.800 0.092 0.000 2.364 181 G HA2 0.322 4.282 3.960 0.000 0.000 0.267 181 G HA3 0.322 4.282 3.960 0.000 0.000 0.267 181 G C 0.660 175.600 174.900 0.066 0.000 1.233 181 G CA -0.095 45.080 45.100 0.126 0.000 0.885 181 G HN 0.377 nan 8.290 nan 0.000 0.490 182 K N 2.105 122.552 120.400 0.078 0.000 2.044 182 K HA -0.160 4.160 4.320 0.000 0.000 0.210 182 K C 2.442 178.994 176.600 -0.080 0.000 1.049 182 K CA 1.640 57.897 56.287 -0.050 0.000 0.927 182 K CB -0.162 32.089 32.500 -0.415 0.000 0.713 182 K HN 0.356 nan 8.250 nan 0.000 0.443 183 V N 1.002 120.866 119.914 -0.084 0.000 2.252 183 V HA -0.318 3.803 4.120 0.000 0.000 0.249 183 V C 2.279 178.277 176.094 -0.160 0.000 1.056 183 V CA 2.512 64.753 62.300 -0.098 0.000 1.022 183 V CB -0.937 30.844 31.823 -0.070 0.000 0.641 183 V HN 0.498 nan 8.190 nan 0.000 0.445 184 T N 0.280 114.697 114.554 -0.227 0.000 2.746 184 T HA -0.103 4.247 4.350 0.000 0.000 0.267 184 T C 1.823 176.222 174.700 -0.502 0.000 1.039 184 T CA 1.824 63.685 62.100 -0.400 0.000 1.142 184 T CB -0.334 68.206 68.868 -0.546 0.000 0.866 184 T HN 0.363 nan 8.240 nan 0.000 0.444 185 I N 1.435 121.810 120.570 -0.325 0.000 2.208 185 I HA -0.203 3.967 4.170 0.000 0.000 0.245 185 I C 2.273 178.308 176.117 -0.137 0.000 1.097 185 I CA 1.247 62.419 61.300 -0.214 0.000 1.363 185 I CB -0.469 37.600 38.000 0.116 0.000 1.051 185 I HN 0.168 nan 8.210 nan 0.000 0.413 186 D N 0.543 120.902 120.400 -0.068 0.000 2.117 186 D HA -0.131 4.509 4.640 0.000 0.000 0.198 186 D C 2.418 178.656 176.300 -0.104 0.000 0.982 186 D CA 1.912 55.889 54.000 -0.038 0.000 0.828 186 D CB -0.141 40.654 40.800 -0.009 0.000 0.967 186 D HN 0.381 nan 8.370 nan 0.000 0.464 187 S N -0.502 115.097 115.700 -0.170 0.000 2.395 187 S HA 0.007 4.477 4.470 0.000 0.000 0.225 187 S C 2.004 176.466 174.600 -0.230 0.000 1.027 187 S CA 0.824 58.918 58.200 -0.176 0.000 0.965 187 S CB 0.070 63.163 63.200 -0.178 0.000 0.812 187 S HN 0.003 nan 8.310 nan 0.000 0.482 188 S N -0.128 115.337 115.700 -0.392 0.000 2.497 188 S HA 0.394 4.864 4.470 0.000 0.000 0.218 188 S C -0.665 173.792 174.600 -0.239 0.000 1.023 188 S CA -0.323 57.600 58.200 -0.461 0.000 0.913 188 S CB -0.016 62.732 63.200 -0.753 0.000 0.800 188 S HN 0.547 nan 8.310 nan 0.000 0.505 189 Y N 1.534 121.739 120.300 -0.158 0.000 2.409 189 Y HA 0.525 5.076 4.550 0.000 0.000 0.339 189 Y C -0.068 175.813 175.900 -0.030 0.000 1.033 189 Y CA -2.496 55.565 58.100 -0.065 0.000 1.094 189 Y CB 0.547 38.977 38.460 -0.050 0.000 1.210 189 Y HN -0.065 nan 8.280 nan 0.000 0.456 190 D N 3.818 124.330 120.400 0.186 0.000 2.736 190 D HA 0.161 4.801 4.640 0.000 0.000 0.293 190 D C 1.136 177.465 176.300 0.048 0.000 1.241 190 D CA -0.031 54.014 54.000 0.076 0.000 0.965 190 D CB 0.224 41.057 40.800 0.056 0.000 0.992 190 D HN 0.405 nan 8.370 nan 0.000 0.510 191 I N 1.494 122.089 120.570 0.041 0.000 2.121 191 I HA -0.381 3.789 4.170 0.000 0.000 0.243 191 I C 2.422 178.513 176.117 -0.043 0.000 1.047 191 I CA 1.472 62.766 61.300 -0.010 0.000 1.308 191 I CB -1.548 36.425 38.000 -0.045 0.000 1.015 191 I HN 0.287 nan 8.210 nan 0.000 0.410 192 A N 0.327 123.117 122.820 -0.051 0.000 1.873 192 A HA -0.284 4.036 4.320 0.000 0.000 0.218 192 A C 2.376 179.915 177.584 -0.075 0.000 1.193 192 A CA 2.420 54.419 52.037 -0.062 0.000 0.629 192 A CB -0.603 18.363 19.000 -0.056 0.000 0.826 192 A HN 0.288 nan 8.150 nan 0.000 0.447 193 K N 0.166 120.534 120.400 -0.054 0.000 1.985 193 K HA -0.111 4.209 4.320 0.000 0.000 0.210 193 K C 1.873 178.413 176.600 -0.100 0.000 1.047 193 K CA 1.849 58.100 56.287 -0.060 0.000 0.932 193 K CB -0.656 31.844 32.500 0.001 0.000 0.716 193 K HN 0.704 nan 8.250 nan 0.000 0.439 194 I N -1.979 118.562 120.570 -0.048 0.000 2.454 194 I HA -0.170 4.001 4.170 0.000 0.000 0.254 194 I C 1.537 177.583 176.117 -0.117 0.000 1.156 194 I CA 1.423 62.687 61.300 -0.060 0.000 1.433 194 I CB -0.365 37.577 38.000 -0.097 0.000 1.082 194 I HN -0.101 nan 8.210 nan 0.000 0.432 195 S N 0.886 116.516 115.700 -0.115 0.000 2.442 195 S HA -0.171 4.299 4.470 0.000 0.000 0.236 195 S C 1.915 176.430 174.600 -0.141 0.000 1.007 195 S CA 1.400 59.538 58.200 -0.103 0.000 0.965 195 S CB -0.285 62.869 63.200 -0.078 0.000 0.773 195 S HN 0.630 nan 8.310 nan 0.000 0.504 196 Q N 0.109 119.754 119.800 -0.258 0.000 2.020 196 Q HA -0.087 4.254 4.340 0.000 0.000 0.198 196 Q C 1.896 177.706 176.000 -0.317 0.000 0.974 196 Q CA 1.182 56.780 55.803 -0.343 0.000 0.829 196 Q CB -0.241 28.162 28.738 -0.558 0.000 0.894 196 Q HN 0.643 nan 8.270 nan 0.000 0.433 197 H N 0.079 119.101 119.070 -0.080 0.000 2.428 197 H HA 0.069 4.625 4.556 0.000 0.000 0.296 197 H C 0.758 176.018 175.328 -0.114 0.000 1.062 197 H CA 0.486 56.472 56.048 -0.102 0.000 1.350 197 H CB -0.181 29.499 29.762 -0.137 0.000 1.403 197 H HN 0.142 nan 8.280 nan 0.000 0.533 198 L N 1.753 122.954 121.223 -0.036 0.000 2.439 198 L HA -0.004 4.336 4.340 0.000 0.000 0.269 198 L C 1.276 178.123 176.870 -0.039 0.000 1.179 198 L CA -0.193 54.598 54.840 -0.081 0.000 0.828 198 L CB 0.759 42.749 42.059 -0.114 0.000 1.106 198 L HN 0.029 nan 8.230 nan 0.000 0.467 199 D N 1.327 121.700 120.400 -0.046 0.000 2.271 199 D HA 0.061 4.701 4.640 0.000 0.000 0.206 199 D C -0.212 176.203 176.300 0.192 0.000 0.967 199 D CA 1.090 55.132 54.000 0.069 0.000 0.867 199 D CB 0.423 41.294 40.800 0.118 0.000 0.960 199 D HN 0.328 nan 8.370 nan 0.000 0.509 200 F N -0.892 119.066 119.950 0.013 0.000 2.725 200 F HA 0.479 5.006 4.527 0.000 0.000 0.309 200 F C -2.081 173.726 175.800 0.012 0.000 1.132 200 F CA -1.415 56.587 58.000 0.003 0.000 0.957 200 F CB 0.676 39.664 39.000 -0.020 0.000 1.286 200 F HN -0.359 nan 8.300 nan 0.000 0.440 201 I N 2.247 123.018 120.570 0.335 0.000 2.465 201 I HA 0.446 4.617 4.170 0.000 0.000 0.291 201 I C -0.559 175.747 176.117 0.316 0.000 1.014 201 I CA -0.884 60.543 61.300 0.211 0.000 1.093 201 I CB 2.246 40.297 38.000 0.086 0.000 1.267 201 I HN 0.660 nan 8.210 nan 0.000 0.431 202 S N 6.596 122.485 115.700 0.315 0.000 2.423 202 S HA 0.435 4.905 4.470 0.000 0.000 0.317 202 S C -0.241 174.489 174.600 0.217 0.000 1.065 202 S CA -0.412 57.983 58.200 0.325 0.000 1.111 202 S CB 0.570 64.058 63.200 0.480 0.000 0.968 202 S HN 0.444 nan 8.310 nan 0.000 0.474 203 I N 4.855 125.526 120.570 0.168 0.000 2.322 203 I HA 0.230 4.400 4.170 0.000 0.000 0.292 203 I C 0.144 176.285 176.117 0.040 0.000 1.060 203 I CA -0.594 60.772 61.300 0.110 0.000 1.309 203 I CB 0.402 38.470 38.000 0.113 0.000 1.415 203 I HN 0.629 nan 8.210 nan 0.000 0.492 204 M N 7.397 126.951 119.600 -0.076 0.000 3.445 204 M HA 0.046 4.527 4.480 0.000 0.000 0.224 204 M C 0.527 176.349 176.300 -0.797 0.000 1.551 204 M CA 0.032 55.038 55.300 -0.490 0.000 1.671 204 M CB -1.043 31.307 32.600 -0.417 0.000 1.159 204 M HN 0.566 nan 8.290 nan 0.000 0.547 205 T N 0.250 114.545 114.554 -0.432 0.000 4.219 205 T HA 0.317 4.667 4.350 0.000 0.000 0.263 205 T C -0.523 174.049 174.700 -0.213 0.000 1.217 205 T CA -0.284 61.686 62.100 -0.217 0.000 1.145 205 T CB -1.045 67.925 68.868 0.171 0.000 1.298 205 T HN 0.560 nan 8.240 nan 0.000 0.999 206 Y N -2.630 117.395 120.300 -0.458 0.000 2.895 206 Y HA 0.520 5.070 4.550 0.000 0.000 0.339 206 Y C -0.430 175.304 175.900 -0.277 0.000 1.363 206 Y CA -1.820 56.133 58.100 -0.246 0.000 1.085 206 Y CB -0.098 38.398 38.460 0.060 0.000 1.500 206 Y HN 0.150 nan 8.280 nan 0.000 0.442 207 D N -0.305 120.437 120.400 0.570 0.000 2.870 207 D HA -0.187 4.454 4.640 0.000 0.000 0.228 207 D C 0.096 176.505 176.300 0.182 0.000 1.147 207 D CA 1.074 55.285 54.000 0.352 0.000 0.757 207 D CB -1.305 39.651 40.800 0.260 0.000 1.091 207 D HN 0.546 nan 8.370 nan 0.000 0.429 208 F N -0.528 119.626 119.950 0.339 0.000 2.512 208 F HA 0.088 4.615 4.527 0.000 0.000 0.296 208 F C 1.374 177.321 175.800 0.246 0.000 1.110 208 F CA 0.510 58.654 58.000 0.240 0.000 1.446 208 F CB 0.167 39.281 39.000 0.190 0.000 1.092 208 F HN 0.083 nan 8.300 nan 0.000 0.554 209 H N -1.068 118.203 119.070 0.336 0.000 2.600 209 H HA 0.615 5.171 4.556 0.000 0.000 0.357 209 H C -0.061 175.353 175.328 0.144 0.000 1.106 209 H CA -0.720 55.416 56.048 0.146 0.000 1.193 209 H CB 1.386 31.247 29.762 0.165 0.000 1.594 209 H HN 0.056 nan 8.280 nan 0.000 0.526 210 G N 0.984 109.557 108.800 -0.378 0.000 2.569 210 G HA2 0.486 4.447 3.960 0.000 0.000 0.300 210 G HA3 0.486 4.447 3.960 0.000 0.000 0.300 210 G C 0.292 175.094 174.900 -0.163 0.000 1.269 210 G CA -0.329 44.676 45.100 -0.158 0.000 0.959 210 G HN 0.797 nan 8.290 nan 0.000 0.478 211 A N 0.317 123.277 122.820 0.233 0.000 2.178 211 A HA 0.003 4.323 4.320 0.000 0.000 0.218 211 A C 1.754 179.370 177.584 0.054 0.000 1.157 211 A CA 1.538 53.741 52.037 0.277 0.000 0.689 211 A CB -0.723 18.454 19.000 0.296 0.000 0.787 211 A HN 0.928 nan 8.150 nan 0.000 0.465 212 W N -0.312 120.985 121.300 -0.004 0.000 2.678 212 W HA 0.017 4.678 4.660 0.000 0.000 0.256 212 W C 1.113 177.570 176.519 -0.104 0.000 1.280 212 W CA 0.433 57.751 57.345 -0.046 0.000 1.345 212 W CB -0.466 28.971 29.460 -0.038 0.000 1.118 212 W HN 0.239 nan 8.180 nan 0.000 0.629 213 R N 1.146 121.138 120.500 -0.846 0.000 2.339 213 R HA 0.049 4.389 4.340 0.000 0.000 0.199 213 R C 1.992 178.055 176.300 -0.395 0.000 1.018 213 R CA 0.838 56.436 56.100 -0.836 0.000 1.036 213 R CB -0.708 28.829 30.300 -1.272 0.000 0.899 213 R HN 0.387 nan 8.270 nan 0.000 0.473 214 G N 1.540 110.173 108.800 -0.278 0.000 2.175 214 G HA2 -0.339 3.621 3.960 0.000 0.000 0.265 214 G HA3 -0.339 3.621 3.960 0.000 0.000 0.265 214 G C 0.282 175.021 174.900 -0.268 0.000 0.979 214 G CA 1.135 46.118 45.100 -0.196 0.000 0.663 214 G HN 0.500 nan 8.290 nan 0.000 0.533 215 T N -2.553 111.771 114.554 -0.383 0.000 2.883 215 T HA 0.704 5.054 4.350 0.000 0.000 0.301 215 T C 0.061 174.331 174.700 -0.717 0.000 1.158 215 T CA 0.300 62.141 62.100 -0.432 0.000 1.007 215 T CB 1.780 70.467 68.868 -0.302 0.000 1.186 215 T HN 1.204 nan 8.240 nan 0.000 0.499 216 T N -0.988 112.992 114.554 -0.957 0.000 2.898 216 T HA 0.619 4.969 4.350 0.000 0.000 0.301 216 T C 0.532 174.510 174.700 -1.203 0.000 1.049 216 T CA -0.148 61.018 62.100 -1.557 0.000 1.095 216 T CB 0.482 68.037 68.868 -2.189 0.000 0.976 216 T HN 1.561 nan 8.240 nan 0.000 0.539 217 G N 0.559 108.732 108.800 -1.045 0.000 2.658 217 G HA2 0.331 4.291 3.960 0.000 0.000 0.301 217 G HA3 0.331 4.291 3.960 0.000 0.000 0.301 217 G C -1.364 173.568 174.900 0.053 0.000 1.481 217 G CA -0.881 43.733 45.100 -0.809 0.000 0.931 217 G HN 1.007 nan 8.290 nan 0.000 0.573 218 H N 1.024 120.191 119.070 0.161 0.000 2.803 218 H HA 0.091 4.647 4.556 0.000 0.000 0.330 218 H C 1.507 177.007 175.328 0.285 0.000 1.057 218 H CA 0.756 56.996 56.048 0.320 0.000 1.458 218 H CB 1.073 30.952 29.762 0.195 0.000 1.470 218 H HN 0.829 nan 8.280 nan 0.000 0.560 219 H N 1.385 120.634 119.070 0.298 0.000 2.551 219 H HA 0.129 4.685 4.556 0.000 0.000 0.266 219 H C 0.231 175.865 175.328 0.510 0.000 0.977 219 H CA 0.450 56.730 56.048 0.387 0.000 1.163 219 H CB 0.588 30.492 29.762 0.236 0.000 1.381 219 H HN 0.246 nan 8.280 nan 0.000 0.581 220 S N 1.798 117.581 115.700 0.138 0.000 2.407 220 S HA 0.259 4.729 4.470 0.000 0.000 0.166 220 S C -2.955 171.683 174.600 0.063 0.000 1.445 220 S CA -1.223 57.055 58.200 0.131 0.000 1.260 220 S CB 0.193 63.253 63.200 -0.234 0.000 1.401 220 S HN 0.266 nan 8.310 nan 0.000 0.379 221 P HA 0.195 nan 4.420 nan 0.000 0.278 221 P C 0.847 178.002 177.300 -0.241 0.000 1.238 221 P CA -0.617 62.348 63.100 -0.225 0.000 0.794 221 P CB 1.196 32.810 31.700 -0.143 0.000 0.955 222 L N 2.613 123.636 121.223 -0.333 0.000 2.023 222 L HA 0.162 4.502 4.340 0.000 0.000 0.205 222 L C 0.598 176.994 176.870 -0.791 0.000 1.073 222 L CA 1.878 56.354 54.840 -0.607 0.000 0.745 222 L CB -0.865 40.799 42.059 -0.659 0.000 0.900 222 L HN 0.252 nan 8.230 nan 0.000 0.435 223 F N -1.891 117.940 119.950 -0.200 0.000 2.613 223 F HA 0.411 4.938 4.527 0.000 0.000 0.342 223 F C 1.707 177.427 175.800 -0.133 0.000 1.066 223 F CA -0.650 57.262 58.000 -0.148 0.000 1.002 223 F CB 0.561 39.503 39.000 -0.098 0.000 1.319 223 F HN -0.253 nan 8.300 nan 0.000 0.495 224 R N 0.648 121.218 120.500 0.117 0.000 2.081 224 R HA 0.199 4.539 4.340 0.000 0.000 0.235 224 R C 0.834 177.131 176.300 -0.005 0.000 1.131 224 R CA 1.344 57.444 56.100 -0.002 0.000 0.960 224 R CB -0.532 29.755 30.300 -0.022 0.000 0.856 224 R HN 1.004 nan 8.270 nan 0.000 0.436 225 G N 0.150 108.967 108.800 0.027 0.000 2.632 225 G HA2 -0.364 3.596 3.960 0.000 0.000 0.224 225 G HA3 -0.364 3.596 3.960 0.000 0.000 0.224 225 G C -1.041 173.845 174.900 -0.024 0.000 1.341 225 G CA 0.054 45.156 45.100 0.002 0.000 0.880 225 G HN 0.556 nan 8.290 nan 0.000 0.566 226 Q N 0.285 120.070 119.800 -0.025 0.000 2.436 226 Q HA -0.000 4.340 4.340 0.000 0.000 0.326 226 Q C 1.589 177.559 176.000 -0.049 0.000 1.079 226 Q CA 1.092 56.874 55.803 -0.034 0.000 1.049 226 Q CB 0.239 28.960 28.738 -0.028 0.000 1.047 226 Q HN 0.647 nan 8.270 nan 0.000 0.386 227 E N 3.481 123.650 120.200 -0.051 0.000 2.085 227 E HA -0.270 4.081 4.350 0.000 0.000 0.194 227 E C 0.419 176.976 176.600 -0.072 0.000 0.994 227 E CA 1.771 58.132 56.400 -0.064 0.000 0.801 227 E CB 0.321 29.986 29.700 -0.057 0.000 0.743 227 E HN 0.727 nan 8.360 nan 0.000 0.453 228 D N -0.062 120.301 120.400 -0.062 0.000 2.117 228 D HA -0.097 4.543 4.640 0.000 0.000 0.198 228 D C 1.623 177.879 176.300 -0.075 0.000 0.982 228 D CA 1.359 55.320 54.000 -0.064 0.000 0.828 228 D CB -0.270 40.498 40.800 -0.053 0.000 0.967 228 D HN 0.247 nan 8.370 nan 0.000 0.464 229 A N 0.254 123.029 122.820 -0.075 0.000 2.206 229 A HA 0.063 4.383 4.320 0.000 0.000 0.211 229 A C 1.037 178.555 177.584 -0.111 0.000 1.158 229 A CA 0.392 52.375 52.037 -0.090 0.000 0.761 229 A CB -0.148 18.805 19.000 -0.078 0.000 0.801 229 A HN 0.206 nan 8.150 nan 0.000 0.473 230 S N -0.764 114.872 115.700 -0.106 0.000 2.449 230 S HA 0.559 5.029 4.470 0.000 0.000 0.310 230 S C -1.782 172.745 174.600 -0.121 0.000 1.096 230 S CA -1.195 56.934 58.200 -0.119 0.000 1.095 230 S CB 1.730 64.857 63.200 -0.122 0.000 1.007 230 S HN 0.029 nan 8.310 nan 0.000 0.474 231 P HA 0.018 nan 4.420 nan 0.000 0.213 231 P C 0.078 177.288 177.300 -0.150 0.000 1.170 231 P CA 1.097 64.132 63.100 -0.108 0.000 0.893 231 P CB -0.084 31.568 31.700 -0.080 0.000 0.784 232 D N -2.390 117.905 120.400 -0.175 0.000 2.387 232 D HA 0.473 5.114 4.640 0.000 0.000 0.255 232 D C 1.003 177.059 176.300 -0.408 0.000 1.081 232 D CA -0.415 53.405 54.000 -0.299 0.000 0.994 232 D CB 0.749 41.419 40.800 -0.216 0.000 1.127 232 D HN -0.172 nan 8.370 nan 0.000 0.513 233 R N 0.569 120.628 120.500 -0.734 0.000 2.397 233 R HA 0.203 4.543 4.340 0.000 0.000 0.241 233 R C 0.958 176.838 176.300 -0.700 0.000 0.914 233 R CA 0.402 56.102 56.100 -0.667 0.000 1.071 233 R CB -0.826 29.071 30.300 -0.672 0.000 1.116 233 R HN 0.494 nan 8.270 nan 0.000 0.524 234 F N -0.479 119.153 119.950 -0.531 0.000 2.720 234 F HA 0.333 4.860 4.527 0.000 0.000 0.301 234 F C 0.925 176.484 175.800 -0.401 0.000 1.103 234 F CA -0.690 56.847 58.000 -0.771 0.000 1.291 234 F CB 0.369 38.938 39.000 -0.718 0.000 1.086 234 F HN -0.049 nan 8.300 nan 0.000 0.592 235 S N 2.144 117.729 115.700 -0.191 0.000 3.983 235 S HA 0.257 4.727 4.470 0.000 0.000 0.194 235 S C -0.273 173.792 174.600 -0.891 0.000 1.464 235 S CA -0.357 57.637 58.200 -0.345 0.000 1.021 235 S CB -1.409 61.794 63.200 0.004 0.000 1.424 235 S HN 0.565 nan 8.310 nan 0.000 0.473 236 N N -2.246 115.706 118.700 -1.247 0.000 2.710 236 N HA 0.282 5.022 4.740 0.000 0.000 0.257 236 N C 0.394 175.479 175.510 -0.709 0.000 1.327 236 N CA -0.851 51.606 53.050 -0.989 0.000 0.861 236 N CB 0.164 38.420 38.487 -0.384 0.000 1.532 236 N HN -0.172 nan 8.380 nan 0.000 0.499 237 T N -0.512 113.851 114.554 -0.319 0.000 2.622 237 T HA -0.233 4.117 4.350 0.000 0.000 0.266 237 T C 0.998 175.605 174.700 -0.154 0.000 1.047 237 T CA 2.137 64.193 62.100 -0.073 0.000 1.159 237 T CB -0.725 68.048 68.868 -0.158 0.000 0.863 237 T HN 0.808 nan 8.240 nan 0.000 0.422 238 D N -0.130 120.040 120.400 -0.382 0.000 2.133 238 D HA -0.211 4.429 4.640 0.000 0.000 0.192 238 D C 1.865 178.196 176.300 0.052 0.000 1.001 238 D CA 1.490 55.341 54.000 -0.249 0.000 0.844 238 D CB -0.401 40.247 40.800 -0.254 0.000 0.944 238 D HN 0.501 nan 8.370 nan 0.000 0.447 239 Y N 0.655 120.945 120.300 -0.017 0.000 2.097 239 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 239 Y C 2.260 178.232 175.900 0.120 0.000 1.152 239 Y CA 2.340 60.477 58.100 0.062 0.000 1.136 239 Y CB -0.885 37.594 38.460 0.033 0.000 0.975 239 Y HN 0.067 nan 8.280 nan 0.000 0.498 240 A N -0.354 122.527 122.820 0.101 0.000 1.865 240 A HA -0.206 4.114 4.320 0.000 0.000 0.217 240 A C 2.375 180.007 177.584 0.079 0.000 1.191 240 A CA 2.427 54.551 52.037 0.144 0.000 0.623 240 A CB -1.474 17.719 19.000 0.322 0.000 0.826 240 A HN 0.366 nan 8.150 nan 0.000 0.444 241 V N -0.026 119.949 119.914 0.102 0.000 2.231 241 V HA -0.261 3.859 4.120 0.000 0.000 0.248 241 V C 2.863 178.992 176.094 0.057 0.000 1.054 241 V CA 2.297 64.666 62.300 0.115 0.000 1.015 241 V CB -1.640 30.317 31.823 0.222 0.000 0.638 241 V HN 0.637 nan 8.190 nan 0.000 0.444 242 G N -1.891 106.935 108.800 0.043 0.000 2.440 242 G HA2 -0.345 3.615 3.960 0.000 0.000 0.218 242 G HA3 -0.345 3.615 3.960 0.000 0.000 0.218 242 G C 1.563 176.433 174.900 -0.049 0.000 1.154 242 G CA 1.199 46.300 45.100 0.003 0.000 0.767 242 G HN 0.537 nan 8.290 nan 0.000 0.552 243 Y N 0.523 120.617 120.300 -0.343 0.000 2.181 243 Y HA 0.016 4.566 4.550 0.000 0.000 0.288 243 Y C 2.758 178.565 175.900 -0.154 0.000 1.146 243 Y CA 1.708 59.593 58.100 -0.358 0.000 1.164 243 Y CB -0.234 37.871 38.460 -0.591 0.000 0.982 243 Y HN 0.208 nan 8.280 nan 0.000 0.515 244 M N -1.073 118.454 119.600 -0.121 0.000 2.254 244 M HA -0.146 4.334 4.480 0.000 0.000 0.265 244 M C 1.864 178.090 176.300 -0.124 0.000 1.066 244 M CA 1.286 56.499 55.300 -0.145 0.000 1.123 244 M CB -0.109 32.481 32.600 -0.017 0.000 1.388 244 M HN 0.293 nan 8.290 nan 0.000 0.425 245 L N -1.006 120.171 121.223 -0.077 0.000 2.056 245 L HA -0.201 4.139 4.340 0.000 0.000 0.207 245 L C 2.629 179.448 176.870 -0.084 0.000 1.078 245 L CA 1.145 55.951 54.840 -0.057 0.000 0.749 245 L CB -0.869 41.174 42.059 -0.027 0.000 0.901 245 L HN 0.319 nan 8.230 nan 0.000 0.433 246 R N 1.077 121.513 120.500 -0.108 0.000 2.103 246 R HA -0.174 4.166 4.340 0.000 0.000 0.242 246 R C 2.029 178.235 176.300 -0.157 0.000 1.142 246 R CA 1.472 57.506 56.100 -0.110 0.000 0.960 246 R CB -0.286 29.958 30.300 -0.093 0.000 0.858 246 R HN 0.369 nan 8.270 nan 0.000 0.439 247 L N -0.325 120.743 121.223 -0.259 0.000 2.675 247 L HA 0.073 4.413 4.340 0.000 0.000 0.238 247 L C 1.283 178.072 176.870 -0.135 0.000 1.155 247 L CA 0.790 55.490 54.840 -0.233 0.000 0.881 247 L CB 0.037 41.894 42.059 -0.336 0.000 1.008 247 L HN 0.677 nan 8.230 nan 0.000 0.443 248 G N -0.469 108.268 108.800 -0.105 0.000 2.201 248 G HA2 -0.222 3.738 3.960 0.000 0.000 0.212 248 G HA3 -0.222 3.738 3.960 0.000 0.000 0.212 248 G C 0.418 175.281 174.900 -0.062 0.000 0.994 248 G CA -0.162 44.893 45.100 -0.074 0.000 0.644 248 G HN 0.448 nan 8.290 nan 0.000 0.508 249 A N 1.401 124.184 122.820 -0.062 0.000 2.491 249 A HA 0.606 4.926 4.320 0.000 0.000 0.261 249 A C -1.615 175.955 177.584 -0.024 0.000 1.101 249 A CA -0.459 51.554 52.037 -0.040 0.000 0.772 249 A CB -0.019 18.963 19.000 -0.029 0.000 1.043 249 A HN 0.176 nan 8.150 nan 0.000 0.501 250 P HA 0.183 nan 4.420 nan 0.000 0.268 250 P C 0.894 178.200 177.300 0.011 0.000 1.204 250 P CA 0.478 63.575 63.100 -0.006 0.000 0.768 250 P CB 1.097 32.794 31.700 -0.006 0.000 0.842 251 A N 3.305 126.132 122.820 0.011 0.000 1.940 251 A HA -0.198 4.122 4.320 0.000 0.000 0.219 251 A C 2.083 179.692 177.584 0.042 0.000 1.176 251 A CA 2.253 54.304 52.037 0.023 0.000 0.631 251 A CB -1.568 17.441 19.000 0.015 0.000 0.814 251 A HN 0.596 nan 8.150 nan 0.000 0.446 252 S N -0.770 114.953 115.700 0.038 0.000 2.474 252 S HA -0.051 4.419 4.470 0.000 0.000 0.235 252 S C 1.399 176.035 174.600 0.060 0.000 0.997 252 S CA 1.379 59.608 58.200 0.047 0.000 0.949 252 S CB -0.176 63.042 63.200 0.031 0.000 0.766 252 S HN 0.604 nan 8.310 nan 0.000 0.517 253 K N 0.007 120.444 120.400 0.062 0.000 2.373 253 K HA 0.354 4.674 4.320 0.000 0.000 0.202 253 K C -0.789 175.880 176.600 0.115 0.000 1.025 253 K CA -0.244 56.100 56.287 0.096 0.000 1.115 253 K CB 0.389 32.931 32.500 0.071 0.000 0.858 253 K HN 0.249 nan 8.250 nan 0.000 0.525 254 L N 1.582 122.856 121.223 0.086 0.000 2.280 254 L HA 0.301 4.641 4.340 0.000 0.000 0.287 254 L C -0.979 175.941 176.870 0.082 0.000 1.023 254 L CA -0.704 54.191 54.840 0.091 0.000 0.819 254 L CB 1.539 43.637 42.059 0.066 0.000 1.212 254 L HN -0.257 nan 8.230 nan 0.000 0.420 255 V N 6.000 125.976 119.914 0.105 0.000 2.398 255 V HA 0.422 4.543 4.120 0.000 0.000 0.286 255 V C 0.264 176.428 176.094 0.117 0.000 1.026 255 V CA -0.553 61.789 62.300 0.070 0.000 0.868 255 V CB 1.474 33.307 31.823 0.018 0.000 0.982 255 V HN 0.830 nan 8.190 nan 0.000 0.443 256 M N 4.149 123.810 119.600 0.103 0.000 2.108 256 M HA 0.532 5.012 4.480 0.000 0.000 0.354 256 M C 0.630 177.033 176.300 0.171 0.000 1.229 256 M CA -0.180 55.200 55.300 0.133 0.000 1.081 256 M CB 0.596 33.272 32.600 0.126 0.000 1.606 256 M HN 0.838 nan 8.290 nan 0.000 0.467 257 G N 6.107 115.039 108.800 0.220 0.000 2.403 257 G HA2 0.522 4.482 3.960 0.000 0.000 0.259 257 G HA3 0.522 4.482 3.960 0.000 0.000 0.259 257 G C -0.753 174.361 174.900 0.358 0.000 1.244 257 G CA -0.544 44.764 45.100 0.346 0.000 0.849 257 G HN 0.802 nan 8.290 nan 0.000 0.532 258 I N 3.904 124.680 120.570 0.343 0.000 2.498 258 I HA 0.339 4.509 4.170 0.000 0.000 0.290 258 I C -2.201 174.045 176.117 0.215 0.000 1.032 258 I CA -2.313 59.128 61.300 0.234 0.000 1.073 258 I CB 3.306 41.386 38.000 0.133 0.000 1.251 258 I HN 0.320 nan 8.210 nan 0.000 0.426 259 P HA 0.194 nan 4.420 nan 0.000 0.292 259 P C 0.107 177.406 177.300 -0.001 0.000 1.283 259 P CA -0.377 62.669 63.100 -0.089 0.000 0.835 259 P CB 1.470 32.796 31.700 -0.623 0.000 1.017 260 T N -0.344 114.323 114.554 0.187 0.000 3.186 260 T HA 0.356 4.706 4.350 0.000 0.000 0.257 260 T C 0.286 175.157 174.700 0.286 0.000 1.029 260 T CA -0.317 61.891 62.100 0.180 0.000 0.916 260 T CB -1.077 67.913 68.868 0.203 0.000 1.041 260 T HN 0.392 nan 8.240 nan 0.000 0.562 261 F N -1.045 118.985 119.950 0.132 0.000 2.620 261 F HA 0.913 5.440 4.527 0.000 0.000 0.320 261 F C -0.169 175.718 175.800 0.145 0.000 1.069 261 F CA -1.822 56.224 58.000 0.077 0.000 0.953 261 F CB 1.047 40.047 39.000 0.000 0.000 1.322 261 F HN 0.069 nan 8.300 nan 0.000 0.479 262 G N 0.856 109.708 108.800 0.086 0.000 2.498 262 G HA2 0.621 4.581 3.960 0.000 0.000 0.312 262 G HA3 0.621 4.581 3.960 0.000 0.000 0.312 262 G C -1.511 173.318 174.900 -0.117 0.000 1.230 262 G CA -1.275 43.827 45.100 0.005 0.000 0.968 262 G HN 0.577 nan 8.290 nan 0.000 0.481 263 R N 0.376 120.727 120.500 -0.250 0.000 2.346 263 R HA 0.532 4.873 4.340 0.000 0.000 0.311 263 R C 0.153 176.190 176.300 -0.439 0.000 0.983 263 R CA -0.405 55.487 56.100 -0.346 0.000 0.880 263 R CB 1.425 31.509 30.300 -0.361 0.000 1.100 263 R HN 0.709 nan 8.270 nan 0.000 0.453 264 S N 1.914 117.287 115.700 -0.546 0.000 2.681 264 S HA 0.821 5.291 4.470 0.000 0.000 0.299 264 S C -0.526 173.577 174.600 -0.828 0.000 1.113 264 S CA -0.605 57.279 58.200 -0.527 0.000 1.013 264 S CB 1.326 64.352 63.200 -0.291 0.000 1.076 264 S HN 0.341 nan 8.310 nan 0.000 0.534 265 F N -0.833 119.197 119.950 0.133 0.000 2.626 265 F HA 0.519 5.046 4.527 0.000 0.000 0.311 265 F C 0.040 175.899 175.800 0.098 0.000 1.088 265 F CA -0.799 57.249 58.000 0.079 0.000 0.949 265 F CB 2.078 41.085 39.000 0.013 0.000 1.322 265 F HN 0.500 nan 8.300 nan 0.000 0.461 266 T N 3.470 118.178 114.554 0.258 0.000 2.770 266 T HA 0.515 4.866 4.350 0.000 0.000 0.297 266 T C -0.032 174.753 174.700 0.142 0.000 0.997 266 T CA -0.518 61.689 62.100 0.178 0.000 0.949 266 T CB 0.163 69.103 68.868 0.120 0.000 0.941 266 T HN 0.305 nan 8.240 nan 0.000 0.457 267 L N 2.172 123.487 121.223 0.153 0.000 2.483 267 L HA 0.270 4.610 4.340 0.000 0.000 0.276 267 L C 1.361 178.265 176.870 0.057 0.000 1.213 267 L CA -0.263 54.630 54.840 0.089 0.000 0.843 267 L CB 0.292 42.434 42.059 0.138 0.000 1.107 267 L HN 0.737 nan 8.230 nan 0.000 0.487 268 A N 1.276 124.106 122.820 0.016 0.000 2.431 268 A HA 0.298 4.618 4.320 0.000 0.000 0.239 268 A C 0.676 178.267 177.584 0.012 0.000 1.230 268 A CA 0.553 52.597 52.037 0.012 0.000 0.928 268 A CB 0.160 19.154 19.000 -0.009 0.000 1.006 268 A HN 0.760 nan 8.150 nan 0.000 0.520 269 S N -1.641 114.068 115.700 0.016 0.000 2.880 269 S HA 0.386 4.856 4.470 0.000 0.000 0.308 269 S C 0.757 175.380 174.600 0.038 0.000 1.195 269 S CA 0.504 58.715 58.200 0.018 0.000 0.866 269 S CB 0.502 63.702 63.200 -0.000 0.000 1.254 269 S HN 0.684 nan 8.310 nan 0.000 0.571 270 S N -0.738 114.984 115.700 0.036 0.000 2.603 270 S HA 0.211 4.681 4.470 0.000 0.000 0.220 270 S C 0.110 174.746 174.600 0.060 0.000 0.967 270 S CA -0.160 58.071 58.200 0.053 0.000 0.920 270 S CB -0.723 62.502 63.200 0.043 0.000 0.773 270 S HN 0.673 nan 8.310 nan 0.000 0.529 271 E N 1.976 122.199 120.200 0.039 0.000 2.289 271 E HA 0.268 4.619 4.350 0.000 0.000 0.278 271 E C 0.542 177.182 176.600 0.067 0.000 1.032 271 E CA 0.188 56.607 56.400 0.032 0.000 0.854 271 E CB 0.978 30.669 29.700 -0.016 0.000 1.046 271 E HN 0.520 nan 8.360 nan 0.000 0.409 272 T N -0.642 113.988 114.554 0.127 0.000 3.111 272 T HA 0.276 4.626 4.350 0.000 0.000 0.284 272 T C 0.713 175.630 174.700 0.362 0.000 0.983 272 T CA -0.362 61.912 62.100 0.290 0.000 0.900 272 T CB 0.518 69.603 68.868 0.362 0.000 1.132 272 T HN 0.364 nan 8.240 nan 0.000 0.531 273 G N 1.121 109.998 108.800 0.129 0.000 2.543 273 G HA2 0.533 4.493 3.960 0.000 0.000 0.290 273 G HA3 0.533 4.493 3.960 0.000 0.000 0.290 273 G C -0.373 174.458 174.900 -0.115 0.000 1.310 273 G CA -0.648 44.497 45.100 0.076 0.000 1.025 273 G HN 0.306 nan 8.290 nan 0.000 0.502 274 V N 0.625 120.465 119.914 -0.122 0.000 2.599 274 V HA 0.384 4.504 4.120 0.000 0.000 0.300 274 V C 1.613 177.531 176.094 -0.293 0.000 1.034 274 V CA 1.815 63.972 62.300 -0.237 0.000 1.115 274 V CB 0.445 32.210 31.823 -0.097 0.000 0.934 274 V HN 1.829 nan 8.190 nan 0.000 0.485 275 G N 3.460 111.995 108.800 -0.441 0.000 2.159 275 G HA2 -0.113 3.847 3.960 0.000 0.000 0.256 275 G HA3 -0.113 3.847 3.960 0.000 0.000 0.256 275 G C 0.399 175.107 174.900 -0.321 0.000 0.977 275 G CA 0.210 45.101 45.100 -0.348 0.000 0.652 275 G HN 1.508 nan 8.290 nan 0.000 0.531 276 A N 0.436 123.027 122.820 -0.381 0.000 2.366 276 A HA 0.682 5.002 4.320 0.000 0.000 0.249 276 A C -1.598 175.804 177.584 -0.303 0.000 1.084 276 A CA -0.673 51.193 52.037 -0.286 0.000 0.794 276 A CB 0.259 19.108 19.000 -0.251 0.000 1.034 276 A HN 0.186 nan 8.150 nan 0.000 0.491 277 P HA 0.327 nan 4.420 nan 0.000 0.271 277 P C -0.568 176.637 177.300 -0.159 0.000 1.216 277 P CA 0.316 63.319 63.100 -0.162 0.000 0.771 277 P CB 0.382 32.024 31.700 -0.097 0.000 0.864 278 I N -1.149 119.329 120.570 -0.153 0.000 2.892 278 I HA 0.568 4.738 4.170 0.000 0.000 0.306 278 I C 0.495 176.591 176.117 -0.035 0.000 1.078 278 I CA -0.827 60.417 61.300 -0.093 0.000 1.032 278 I CB 2.581 40.501 38.000 -0.133 0.000 1.229 278 I HN 0.181 nan 8.210 nan 0.000 0.435 279 S N 1.315 117.023 115.700 0.015 0.000 2.539 279 S HA 0.713 5.183 4.470 0.000 0.000 0.221 279 S C 0.613 175.241 174.600 0.047 0.000 0.987 279 S CA 0.133 58.348 58.200 0.025 0.000 0.929 279 S CB 0.039 63.258 63.200 0.032 0.000 0.832 279 S HN 1.594 nan 8.310 nan 0.000 0.492 280 G N 1.525 110.371 108.800 0.076 0.000 2.356 280 G HA2 0.304 4.264 3.960 0.000 0.000 0.288 280 G HA3 0.304 4.264 3.960 0.000 0.000 0.288 280 G C -3.490 171.504 174.900 0.158 0.000 1.302 280 G CA -0.651 44.511 45.100 0.103 0.000 0.887 280 G HN 0.090 nan 8.290 nan 0.000 0.521 281 P HA 0.370 nan 4.420 nan 0.000 0.271 281 P C 0.820 178.144 177.300 0.040 0.000 1.233 281 P CA 0.717 63.858 63.100 0.068 0.000 0.789 281 P CB 0.465 32.173 31.700 0.012 0.000 0.951 282 G N 0.806 109.584 108.800 -0.037 0.000 2.634 282 G HA2 0.334 4.294 3.960 0.000 0.000 0.255 282 G HA3 0.334 4.294 3.960 0.000 0.000 0.255 282 G C 0.171 175.062 174.900 -0.015 0.000 1.205 282 G CA -0.872 44.220 45.100 -0.014 0.000 0.884 282 G HN 0.441 nan 8.290 nan 0.000 0.549 283 I N 1.666 122.243 120.570 0.012 0.000 2.710 283 I HA 0.040 4.210 4.170 0.000 0.000 0.286 283 I C -1.646 174.465 176.117 -0.010 0.000 1.181 283 I CA -1.104 60.206 61.300 0.017 0.000 1.430 283 I CB 0.838 38.866 38.000 0.048 0.000 1.367 283 I HN 0.234 nan 8.210 nan 0.000 0.577 284 P HA 0.001 nan 4.420 nan 0.000 0.266 284 P C 0.067 177.364 177.300 -0.006 0.000 1.193 284 P CA -0.107 62.985 63.100 -0.014 0.000 0.770 284 P CB 0.398 32.096 31.700 -0.003 0.000 0.836 285 G N 1.499 110.292 108.800 -0.011 0.000 2.527 285 G HA2 0.036 3.996 3.960 0.000 0.000 0.248 285 G HA3 0.036 3.996 3.960 0.000 0.000 0.248 285 G C 0.928 175.854 174.900 0.043 0.000 1.231 285 G CA -0.479 44.629 45.100 0.014 0.000 0.838 285 G HN 0.513 nan 8.290 nan 0.000 0.570 286 R N 0.646 121.185 120.500 0.065 0.000 2.105 286 R HA -0.091 4.249 4.340 0.000 0.000 0.239 286 R C 1.381 177.565 176.300 -0.193 0.000 1.135 286 R CA 1.666 57.716 56.100 -0.083 0.000 0.967 286 R CB -0.174 30.043 30.300 -0.139 0.000 0.861 286 R HN 0.581 nan 8.270 nan 0.000 0.442 287 F N -1.249 118.765 119.950 0.107 0.000 2.622 287 F HA 0.102 4.629 4.527 0.000 0.000 0.288 287 F C 2.332 178.202 175.800 0.117 0.000 1.120 287 F CA 0.874 58.965 58.000 0.152 0.000 1.423 287 F CB 0.049 39.215 39.000 0.277 0.000 1.127 287 F HN 0.054 nan 8.300 nan 0.000 0.588 288 T N -2.733 111.956 114.554 0.226 0.000 3.065 288 T HA 0.057 4.407 4.350 0.000 0.000 0.252 288 T C 0.708 175.462 174.700 0.091 0.000 1.099 288 T CA -0.187 61.993 62.100 0.134 0.000 1.063 288 T CB -0.526 68.363 68.868 0.035 0.000 0.948 288 T HN 0.094 nan 8.240 nan 0.000 0.506 289 K N 1.848 122.290 120.400 0.069 0.000 4.075 289 K HA -0.198 4.122 4.320 0.000 0.000 0.278 289 K C -0.341 176.272 176.600 0.021 0.000 0.862 289 K CA 0.727 57.038 56.287 0.040 0.000 0.762 289 K CB -1.244 31.287 32.500 0.051 0.000 1.660 289 K HN 0.775 nan 8.250 nan 0.000 0.437 290 E N 0.250 120.448 120.200 -0.003 0.000 2.428 290 E HA 0.358 4.708 4.350 0.000 0.000 0.307 290 E C -0.943 175.631 176.600 -0.044 0.000 0.902 290 E CA -0.291 56.094 56.400 -0.026 0.000 0.799 290 E CB 1.131 30.807 29.700 -0.040 0.000 1.351 290 E HN 0.379 nan 8.360 nan 0.000 0.392 291 A N 2.368 125.167 122.820 -0.036 0.000 2.587 291 A HA 0.402 4.722 4.320 0.000 0.000 0.235 291 A C 1.359 178.899 177.584 -0.073 0.000 1.044 291 A CA 1.367 53.379 52.037 -0.042 0.000 0.754 291 A CB -0.330 18.659 19.000 -0.019 0.000 0.968 291 A HN 1.433 nan 8.150 nan 0.000 0.509 292 G N 1.662 110.396 108.800 -0.109 0.000 2.179 292 G HA2 -0.163 3.797 3.960 0.000 0.000 0.260 292 G HA3 -0.163 3.797 3.960 0.000 0.000 0.260 292 G C 0.338 175.122 174.900 -0.192 0.000 0.977 292 G CA 0.675 45.664 45.100 -0.185 0.000 0.641 292 G HN 1.437 nan 8.290 nan 0.000 0.533 293 T N 0.357 114.828 114.554 -0.139 0.000 2.893 293 T HA 0.743 5.093 4.350 0.000 0.000 0.291 293 T C -0.520 174.116 174.700 -0.105 0.000 1.028 293 T CA -0.437 61.599 62.100 -0.105 0.000 0.995 293 T CB 2.274 71.075 68.868 -0.111 0.000 1.051 293 T HN 0.480 nan 8.240 nan 0.000 0.470 294 L N 1.640 122.812 121.223 -0.085 0.000 2.543 294 L HA 0.675 5.015 4.340 0.000 0.000 0.265 294 L C -0.072 176.720 176.870 -0.130 0.000 0.945 294 L CA -1.218 53.533 54.840 -0.148 0.000 0.869 294 L CB 1.847 43.768 42.059 -0.230 0.000 1.294 294 L HN 0.793 nan 8.230 nan 0.000 0.405 295 A N 1.246 123.891 122.820 -0.292 0.000 2.351 295 A HA 0.179 4.499 4.320 0.000 0.000 0.257 295 A C 0.460 177.837 177.584 -0.345 0.000 1.087 295 A CA 0.089 51.905 52.037 -0.370 0.000 0.798 295 A CB 0.156 18.603 19.000 -0.922 0.000 1.033 295 A HN 0.776 nan 8.150 nan 0.000 0.488 296 Y N 1.613 121.782 120.300 -0.218 0.000 2.193 296 Y HA -0.348 4.202 4.550 0.000 0.000 0.285 296 Y C 1.963 177.767 175.900 -0.159 0.000 1.166 296 Y CA 2.928 60.954 58.100 -0.123 0.000 1.181 296 Y CB -0.612 37.864 38.460 0.028 0.000 0.976 296 Y HN 0.837 nan 8.280 nan 0.000 0.520 297 Y N -1.253 118.881 120.300 -0.276 0.000 2.314 297 Y HA 0.003 4.553 4.550 0.000 0.000 0.293 297 Y C 1.905 177.494 175.900 -0.518 0.000 1.129 297 Y CA 1.122 58.913 58.100 -0.514 0.000 1.201 297 Y CB -1.198 36.758 38.460 -0.841 0.000 0.999 297 Y HN 0.133 nan 8.280 nan 0.000 0.541 298 E N 0.908 120.743 120.200 -0.609 0.000 2.150 298 E HA -0.083 4.267 4.350 0.000 0.000 0.193 298 E C 2.072 178.575 176.600 -0.162 0.000 0.985 298 E CA 1.287 57.527 56.400 -0.267 0.000 0.814 298 E CB -0.180 29.349 29.700 -0.286 0.000 0.752 298 E HN 0.574 nan 8.360 nan 0.000 0.466 299 I N 0.615 120.996 120.570 -0.315 0.000 2.315 299 I HA -0.293 3.877 4.170 0.000 0.000 0.248 299 I C 2.313 178.282 176.117 -0.246 0.000 1.117 299 I CA 0.524 61.625 61.300 -0.333 0.000 1.404 299 I CB -0.290 37.355 38.000 -0.591 0.000 1.071 299 I HN 0.238 nan 8.210 nan 0.000 0.419 300 c N 0.697 119.092 118.600 -0.342 0.000 2.411 300 c HA -0.182 4.388 4.570 0.000 0.000 0.279 300 c C 2.426 176.501 174.090 -0.026 0.000 1.288 300 c CA 0.905 57.109 56.329 -0.209 0.000 1.764 300 c CB -1.021 41.378 42.510 -0.185 0.000 1.974 300 c HN 0.523 nan 8.230 nan 0.000 0.498 301 D N -0.313 120.125 120.400 0.063 0.000 2.103 301 D HA -0.081 4.559 4.640 0.000 0.000 0.199 301 D C 1.773 178.121 176.300 0.080 0.000 0.978 301 D CA 0.888 54.960 54.000 0.119 0.000 0.829 301 D CB -0.524 40.410 40.800 0.223 0.000 0.981 301 D HN 0.469 nan 8.370 nan 0.000 0.464 302 F N 1.623 121.535 119.950 -0.063 0.000 2.120 302 F HA -0.170 4.358 4.527 0.000 0.000 0.300 302 F C 2.124 177.876 175.800 -0.079 0.000 1.095 302 F CA 1.179 59.135 58.000 -0.073 0.000 1.249 302 F CB -0.307 38.618 39.000 -0.124 0.000 0.995 302 F HN -0.100 nan 8.300 nan 0.000 0.480 303 L N 0.251 121.466 121.223 -0.013 0.000 2.129 303 L HA -0.196 4.144 4.340 0.000 0.000 0.212 303 L C 0.956 177.741 176.870 -0.141 0.000 1.087 303 L CA 0.866 55.656 54.840 -0.084 0.000 0.757 303 L CB -0.778 41.262 42.059 -0.033 0.000 0.896 303 L HN -0.023 nan 8.230 nan 0.000 0.434 304 R N 0.879 121.311 120.500 -0.114 0.000 2.457 304 R HA 0.118 4.458 4.340 0.000 0.000 0.335 304 R C 1.089 177.303 176.300 -0.144 0.000 1.003 304 R CA 0.689 56.731 56.100 -0.097 0.000 1.003 304 R CB -0.279 29.987 30.300 -0.057 0.000 0.950 304 R HN 0.388 nan 8.270 nan 0.000 0.428 305 G N 1.236 109.960 108.800 -0.126 0.000 2.176 305 G HA2 -0.299 3.662 3.960 0.000 0.000 0.253 305 G HA3 -0.299 3.662 3.960 0.000 0.000 0.253 305 G C 0.204 174.998 174.900 -0.176 0.000 0.979 305 G CA 0.018 45.040 45.100 -0.130 0.000 0.641 305 G HN 0.811 nan 8.290 nan 0.000 0.530 306 A N -0.808 121.875 122.820 -0.228 0.000 2.247 306 A HA 0.914 5.234 4.320 0.000 0.000 0.313 306 A C 0.261 177.762 177.584 -0.139 0.000 1.109 306 A CA 0.511 52.396 52.037 -0.253 0.000 0.890 306 A CB 1.078 19.817 19.000 -0.434 0.000 1.239 306 A HN 0.730 nan 8.150 nan 0.000 0.506 307 T N 0.538 115.029 114.554 -0.104 0.000 2.809 307 T HA 0.503 4.853 4.350 0.000 0.000 0.284 307 T C -0.775 173.767 174.700 -0.263 0.000 0.992 307 T CA -0.228 61.772 62.100 -0.165 0.000 0.957 307 T CB 1.095 69.888 68.868 -0.124 0.000 0.942 307 T HN 0.429 nan 8.240 nan 0.000 0.439 308 V N 4.997 124.716 119.914 -0.326 0.000 2.481 308 V HA 0.390 4.510 4.120 0.000 0.000 0.286 308 V C -0.237 175.472 176.094 -0.641 0.000 1.042 308 V CA -0.721 61.376 62.300 -0.338 0.000 0.928 308 V CB 0.973 32.726 31.823 -0.116 0.000 0.986 308 V HN 0.813 nan 8.190 nan 0.000 0.462 309 H N 4.537 123.289 119.070 -0.530 0.000 2.589 309 H HA 0.459 5.015 4.556 0.000 0.000 0.335 309 H C -0.355 174.727 175.328 -0.410 0.000 1.019 309 H CA -0.797 54.923 56.048 -0.545 0.000 1.213 309 H CB 1.742 30.951 29.762 -0.922 0.000 1.472 309 H HN 0.433 nan 8.280 nan 0.000 0.508 310 R N 3.297 123.747 120.500 -0.084 0.000 2.248 310 R HA 0.232 4.572 4.340 0.000 0.000 0.328 310 R C 0.218 176.543 176.300 0.041 0.000 1.067 310 R CA -0.470 55.607 56.100 -0.040 0.000 0.924 310 R CB 0.532 30.816 30.300 -0.027 0.000 1.013 310 R HN 0.556 nan 8.270 nan 0.000 0.454 311 I N 5.628 126.246 120.570 0.080 0.000 2.311 311 I HA 0.036 4.207 4.170 0.000 0.000 0.297 311 I C 0.857 177.013 176.117 0.065 0.000 1.131 311 I CA -0.123 61.259 61.300 0.137 0.000 1.289 311 I CB 0.139 38.248 38.000 0.182 0.000 1.446 311 I HN 0.293 nan 8.210 nan 0.000 0.524 312 L N 6.376 127.634 121.223 0.059 0.000 2.525 312 L HA 0.049 4.389 4.340 0.000 0.000 0.278 312 L C 1.486 178.371 176.870 0.025 0.000 1.218 312 L CA 0.898 55.757 54.840 0.032 0.000 0.878 312 L CB 0.196 42.270 42.059 0.025 0.000 1.127 312 L HN 0.972 nan 8.230 nan 0.000 0.492 313 G N 1.857 110.666 108.800 0.015 0.000 2.317 313 G HA2 -0.283 3.677 3.960 0.000 0.000 0.227 313 G HA3 -0.283 3.677 3.960 0.000 0.000 0.227 313 G C 0.846 175.790 174.900 0.073 0.000 1.042 313 G CA 0.338 45.444 45.100 0.009 0.000 0.623 313 G HN 0.629 nan 8.290 nan 0.000 0.509 314 Q N -0.626 119.208 119.800 0.057 0.000 2.378 314 Q HA 0.188 4.528 4.340 0.000 0.000 0.216 314 Q C 1.137 177.137 176.000 0.001 0.000 0.892 314 Q CA 0.577 56.400 55.803 0.033 0.000 0.931 314 Q CB 0.406 29.116 28.738 -0.046 0.000 1.086 314 Q HN 0.504 nan 8.270 nan 0.000 0.528 315 Q N -0.795 119.017 119.800 0.020 0.000 2.460 315 Q HA -0.142 4.199 4.340 0.000 0.000 0.248 315 Q C -0.320 175.619 176.000 -0.102 0.000 0.847 315 Q CA 1.183 56.986 55.803 -0.001 0.000 1.214 315 Q CB -2.384 26.398 28.738 0.072 0.000 1.523 315 Q HN 0.363 nan 8.270 nan 0.000 0.602 316 V N -3.049 116.756 119.914 -0.183 0.000 3.001 316 V HA 0.942 5.062 4.120 0.000 0.000 0.314 316 V C -2.539 173.448 176.094 -0.178 0.000 1.099 316 V CA -2.166 59.955 62.300 -0.298 0.000 0.989 316 V CB 2.627 33.988 31.823 -0.771 0.000 1.040 316 V HN -0.110 nan 8.190 nan 0.000 0.434 317 P HA 0.577 nan 4.420 nan 0.000 0.289 317 P C -2.079 175.141 177.300 -0.132 0.000 1.293 317 P CA -0.458 62.524 63.100 -0.196 0.000 0.897 317 P CB 1.915 33.412 31.700 -0.339 0.000 1.166 318 Y N -1.157 119.064 120.300 -0.130 0.000 2.524 318 Y HA 0.843 5.394 4.550 0.000 0.000 0.347 318 Y C -1.647 174.202 175.900 -0.084 0.000 1.005 318 Y CA -1.611 56.350 58.100 -0.233 0.000 1.025 318 Y CB 1.110 39.154 38.460 -0.693 0.000 1.275 318 Y HN 0.584 nan 8.280 nan 0.000 0.460 319 A N 1.885 124.792 122.820 0.146 0.000 2.374 319 A HA 0.807 5.127 4.320 0.000 0.000 0.317 319 A C -0.908 176.817 177.584 0.233 0.000 1.094 319 A CA -0.606 51.538 52.037 0.178 0.000 0.765 319 A CB 1.782 20.996 19.000 0.358 0.000 1.268 319 A HN 0.970 nan 8.150 nan 0.000 0.438 320 T N 0.549 115.270 114.554 0.278 0.000 2.933 320 T HA 0.665 5.015 4.350 0.000 0.000 0.305 320 T C -1.338 173.504 174.700 0.235 0.000 1.092 320 T CA -0.540 61.779 62.100 0.365 0.000 1.008 320 T CB 1.006 70.105 68.868 0.386 0.000 1.102 320 T HN 0.806 nan 8.240 nan 0.000 0.469 321 K N 2.750 123.296 120.400 0.243 0.000 2.571 321 K HA 0.525 4.845 4.320 0.000 0.000 0.252 321 K C 0.441 177.111 176.600 0.117 0.000 0.956 321 K CA 0.200 56.488 56.287 0.002 0.000 0.822 321 K CB 1.010 33.243 32.500 -0.445 0.000 1.286 321 K HN 1.093 nan 8.250 nan 0.000 0.439 322 G N 3.409 112.265 108.800 0.094 0.000 2.574 322 G HA2 -0.386 3.574 3.960 0.000 0.000 0.286 322 G HA3 -0.386 3.574 3.960 0.000 0.000 0.286 322 G C 0.071 175.073 174.900 0.170 0.000 1.212 322 G CA 0.564 45.732 45.100 0.112 0.000 0.979 322 G HN 0.893 nan 8.290 nan 0.000 0.557 323 N N 1.151 119.952 118.700 0.169 0.000 2.322 323 N HA 0.148 4.888 4.740 0.000 0.000 0.216 323 N C 0.219 175.873 175.510 0.240 0.000 1.144 323 N CA 0.556 53.715 53.050 0.182 0.000 0.830 323 N CB 0.423 38.988 38.487 0.129 0.000 1.034 323 N HN 0.588 nan 8.380 nan 0.000 0.484 324 Q N 0.020 120.013 119.800 0.321 0.000 2.309 324 Q HA 0.343 4.683 4.340 0.000 0.000 0.264 324 Q C -1.505 174.794 176.000 0.498 0.000 1.008 324 Q CA -0.316 55.709 55.803 0.370 0.000 0.853 324 Q CB 2.068 31.053 28.738 0.411 0.000 1.314 324 Q HN 0.431 nan 8.270 nan 0.000 0.448 325 W N 2.068 123.481 121.300 0.188 0.000 2.900 325 W HA 0.565 5.225 4.660 0.000 0.000 0.336 325 W C -1.570 175.008 176.519 0.099 0.000 1.064 325 W CA -0.708 56.779 57.345 0.237 0.000 1.237 325 W CB 1.316 30.939 29.460 0.270 0.000 1.391 325 W HN 0.345 nan 8.180 nan 0.000 0.468 326 V N 6.215 126.146 119.914 0.027 0.000 2.668 326 V HA 0.845 4.966 4.120 0.000 0.000 0.304 326 V C -0.464 175.636 176.094 0.009 0.000 1.071 326 V CA -0.405 61.881 62.300 -0.024 0.000 0.894 326 V CB 1.461 33.076 31.823 -0.346 0.000 1.008 326 V HN 0.696 nan 8.190 nan 0.000 0.425 327 G N 6.009 114.880 108.800 0.119 0.000 2.332 327 G HA2 0.666 4.626 3.960 0.000 0.000 0.310 327 G HA3 0.666 4.626 3.960 0.000 0.000 0.310 327 G C -1.166 173.686 174.900 -0.080 0.000 1.123 327 G CA -0.072 44.969 45.100 -0.098 0.000 0.873 327 G HN 1.328 nan 8.290 nan 0.000 0.460 328 Y N -0.718 119.476 120.300 -0.176 0.000 2.900 328 Y HA 0.695 5.246 4.550 0.000 0.000 0.318 328 Y C -1.157 174.882 175.900 0.231 0.000 1.457 328 Y CA -1.779 56.336 58.100 0.025 0.000 1.082 328 Y CB 0.828 39.331 38.460 0.071 0.000 1.419 328 Y HN 0.344 nan 8.280 nan 0.000 0.459 329 D N 0.587 121.079 120.400 0.153 0.000 2.340 329 D HA 0.423 5.063 4.640 0.000 0.000 0.240 329 D C -1.486 174.858 176.300 0.072 0.000 1.001 329 D CA -0.025 53.979 54.000 0.007 0.000 0.888 329 D CB 2.301 43.100 40.800 -0.001 0.000 1.310 329 D HN 0.727 nan 8.370 nan 0.000 0.474 330 D N -0.535 119.852 120.400 -0.021 0.000 2.652 330 D HA 0.111 4.751 4.640 0.000 0.000 0.285 330 D C 0.729 177.009 176.300 -0.034 0.000 1.173 330 D CA -0.418 53.592 54.000 0.017 0.000 0.981 330 D CB 0.529 41.466 40.800 0.228 0.000 1.440 330 D HN -0.014 nan 8.370 nan 0.000 0.485 331 Q N 0.024 119.822 119.800 -0.003 0.000 2.082 331 Q HA -0.235 4.105 4.340 0.000 0.000 0.211 331 Q C 1.721 177.725 176.000 0.006 0.000 1.002 331 Q CA 2.625 58.432 55.803 0.006 0.000 0.868 331 Q CB -0.216 28.548 28.738 0.043 0.000 0.931 331 Q HN 0.692 nan 8.270 nan 0.000 0.414 332 E N -0.525 119.683 120.200 0.013 0.000 2.058 332 E HA -0.215 4.135 4.350 0.000 0.000 0.194 332 E C 2.036 178.628 176.600 -0.012 0.000 0.997 332 E CA 1.519 57.922 56.400 0.004 0.000 0.801 332 E CB -0.025 29.677 29.700 0.003 0.000 0.746 332 E HN 0.479 nan 8.360 nan 0.000 0.450 333 S N 0.258 115.937 115.700 -0.035 0.000 2.368 333 S HA -0.148 4.323 4.470 0.000 0.000 0.224 333 S C 2.291 176.865 174.600 -0.043 0.000 1.029 333 S CA 1.385 59.552 58.200 -0.056 0.000 0.988 333 S CB -0.846 62.293 63.200 -0.102 0.000 0.838 333 S HN 0.288 nan 8.310 nan 0.000 0.462 334 V N 0.417 120.310 119.914 -0.035 0.000 2.490 334 V HA -0.046 4.074 4.120 0.000 0.000 0.250 334 V C 2.475 178.566 176.094 -0.006 0.000 1.061 334 V CA 1.976 64.263 62.300 -0.021 0.000 1.064 334 V CB -1.131 30.680 31.823 -0.021 0.000 0.670 334 V HN 0.463 nan 8.190 nan 0.000 0.461 335 K N 0.801 121.200 120.400 -0.001 0.000 2.026 335 K HA -0.153 4.167 4.320 0.000 0.000 0.208 335 K C 2.420 179.033 176.600 0.021 0.000 1.048 335 K CA 1.960 58.254 56.287 0.011 0.000 0.929 335 K CB -0.345 32.165 32.500 0.016 0.000 0.713 335 K HN 0.578 nan 8.250 nan 0.000 0.439 336 S N 0.911 116.625 115.700 0.022 0.000 2.370 336 S HA -0.140 4.330 4.470 0.000 0.000 0.226 336 S C 1.703 176.337 174.600 0.056 0.000 1.033 336 S CA 1.418 59.647 58.200 0.047 0.000 1.011 336 S CB -0.157 63.068 63.200 0.041 0.000 0.852 336 S HN 0.319 nan 8.310 nan 0.000 0.457 337 K N 0.537 120.942 120.400 0.009 0.000 2.097 337 K HA -0.020 4.300 4.320 0.000 0.000 0.206 337 K C 2.011 178.649 176.600 0.062 0.000 1.049 337 K CA 0.998 57.288 56.287 0.006 0.000 0.933 337 K CB -0.266 32.213 32.500 -0.034 0.000 0.717 337 K HN 0.164 nan 8.250 nan 0.000 0.442 338 V N 1.070 120.998 119.914 0.023 0.000 2.379 338 V HA -0.241 3.879 4.120 0.000 0.000 0.245 338 V C 2.377 178.461 176.094 -0.017 0.000 1.044 338 V CA 1.678 63.964 62.300 -0.022 0.000 1.036 338 V CB -0.372 31.426 31.823 -0.041 0.000 0.664 338 V HN 0.302 nan 8.190 nan 0.000 0.453 339 Q N -0.167 119.650 119.800 0.029 0.000 2.062 339 Q HA -0.298 4.043 4.340 0.000 0.000 0.209 339 Q C 2.086 178.126 176.000 0.068 0.000 0.996 339 Q CA 2.633 58.464 55.803 0.047 0.000 0.859 339 Q CB -0.758 28.027 28.738 0.078 0.000 0.920 339 Q HN 0.725 nan 8.270 nan 0.000 0.415 340 Y N 0.566 120.863 120.300 -0.006 0.000 2.081 340 Y HA -0.286 4.264 4.550 0.000 0.000 0.280 340 Y C 1.861 177.749 175.900 -0.021 0.000 1.163 340 Y CA 2.151 60.253 58.100 0.003 0.000 1.135 340 Y CB -0.510 37.914 38.460 -0.060 0.000 0.970 340 Y HN 0.332 nan 8.280 nan 0.000 0.498 341 L N -0.152 121.076 121.223 0.008 0.000 2.093 341 L HA -0.062 4.279 4.340 0.000 0.000 0.208 341 L C 2.015 178.781 176.870 -0.174 0.000 1.085 341 L CA 1.876 56.653 54.840 -0.106 0.000 0.755 341 L CB -0.977 41.067 42.059 -0.025 0.000 0.904 341 L HN -0.027 nan 8.230 nan 0.000 0.435 342 K N 0.213 120.507 120.400 -0.176 0.000 2.026 342 K HA -0.133 4.187 4.320 0.000 0.000 0.208 342 K C 1.833 178.414 176.600 -0.032 0.000 1.048 342 K CA 1.614 57.834 56.287 -0.111 0.000 0.929 342 K CB -0.397 32.054 32.500 -0.082 0.000 0.713 342 K HN 0.402 nan 8.250 nan 0.000 0.439 343 D N 0.314 120.666 120.400 -0.079 0.000 2.309 343 D HA -0.125 4.515 4.640 0.000 0.000 0.212 343 D C 1.613 177.833 176.300 -0.134 0.000 0.968 343 D CA 0.851 54.803 54.000 -0.080 0.000 0.882 343 D CB 0.131 40.885 40.800 -0.075 0.000 0.918 343 D HN 0.073 nan 8.370 nan 0.000 0.503 344 R N 0.216 120.587 120.500 -0.215 0.000 2.334 344 R HA 0.100 4.440 4.340 0.000 0.000 0.216 344 R C 0.186 176.440 176.300 -0.077 0.000 0.905 344 R CA 0.013 55.990 56.100 -0.205 0.000 1.064 344 R CB 0.238 30.326 30.300 -0.352 0.000 1.046 344 R HN 0.268 nan 8.270 nan 0.000 0.508 345 Q N 0.903 120.693 119.800 -0.016 0.000 2.459 345 Q HA -0.166 4.175 4.340 0.000 0.000 0.322 345 Q C -0.819 175.230 176.000 0.082 0.000 1.427 345 Q CA 0.420 56.266 55.803 0.071 0.000 0.861 345 Q CB -1.772 26.990 28.738 0.041 0.000 1.137 345 Q HN 0.275 nan 8.270 nan 0.000 0.394 346 L N -1.213 120.057 121.223 0.079 0.000 2.387 346 L HA 0.519 4.860 4.340 0.000 0.000 0.266 346 L C 1.601 178.564 176.870 0.154 0.000 1.059 346 L CA 0.118 55.001 54.840 0.071 0.000 0.801 346 L CB 0.577 42.647 42.059 0.018 0.000 1.223 346 L HN 0.321 nan 8.230 nan 0.000 0.456 347 A N 1.133 124.019 122.820 0.110 0.000 1.978 347 A HA 0.263 4.583 4.320 0.000 0.000 0.220 347 A C 0.981 178.659 177.584 0.155 0.000 1.170 347 A CA 1.660 53.769 52.037 0.121 0.000 0.636 347 A CB -0.483 18.538 19.000 0.036 0.000 0.810 347 A HN 1.014 nan 8.150 nan 0.000 0.448 348 G N -3.252 105.573 108.800 0.041 0.000 2.350 348 G HA2 0.563 4.524 3.960 0.000 0.000 0.276 348 G HA3 0.563 4.524 3.960 0.000 0.000 0.276 348 G C -0.820 174.047 174.900 -0.055 0.000 1.313 348 G CA -0.174 44.901 45.100 -0.043 0.000 0.903 348 G HN 1.270 nan 8.290 nan 0.000 0.490 349 A N -0.266 122.528 122.820 -0.043 0.000 2.340 349 A HA 0.837 5.157 4.320 0.000 0.000 0.331 349 A C -0.070 177.546 177.584 0.054 0.000 1.140 349 A CA -0.439 51.608 52.037 0.017 0.000 0.801 349 A CB 1.671 20.680 19.000 0.016 0.000 1.234 349 A HN 1.400 nan 8.150 nan 0.000 0.469 350 M N 2.779 122.464 119.600 0.141 0.000 2.383 350 M HA 0.613 5.094 4.480 0.000 0.000 0.325 350 M C -1.974 174.510 176.300 0.307 0.000 1.092 350 M CA -0.510 54.930 55.300 0.233 0.000 0.961 350 M CB 1.462 34.266 32.600 0.341 0.000 1.672 350 M HN 0.386 nan 8.290 nan 0.000 0.438 351 V N 5.302 125.412 119.914 0.327 0.000 2.495 351 V HA 0.512 4.632 4.120 0.000 0.000 0.298 351 V C -1.296 175.057 176.094 0.431 0.000 1.031 351 V CA -0.577 61.915 62.300 0.321 0.000 0.871 351 V CB 2.119 34.059 31.823 0.195 0.000 0.988 351 V HN 0.866 nan 8.190 nan 0.000 0.432 352 W N 5.827 127.268 121.300 0.235 0.000 2.543 352 W HA 0.790 5.450 4.660 0.000 0.000 0.318 352 W C -0.685 175.943 176.519 0.182 0.000 1.002 352 W CA -0.529 56.925 57.345 0.182 0.000 1.302 352 W CB 1.694 31.224 29.460 0.117 0.000 1.299 352 W HN 0.708 nan 8.180 nan 0.000 0.424 353 A N 4.648 127.456 122.820 -0.020 0.000 2.569 353 A HA 0.508 4.828 4.320 0.000 0.000 0.290 353 A C 0.269 177.803 177.584 -0.083 0.000 1.136 353 A CA -0.646 51.181 52.037 -0.350 0.000 0.710 353 A CB 1.426 19.809 19.000 -1.029 0.000 1.303 353 A HN 0.576 nan 8.150 nan 0.000 0.413 354 L N -0.185 121.008 121.223 -0.050 0.000 2.127 354 L HA -0.196 4.144 4.340 0.000 0.000 0.211 354 L C 1.765 178.746 176.870 0.186 0.000 1.089 354 L CA 2.288 57.226 54.840 0.163 0.000 0.757 354 L CB -0.443 41.699 42.059 0.139 0.000 0.899 354 L HN 0.994 nan 8.230 nan 0.000 0.434 355 D N -1.088 119.270 120.400 -0.070 0.000 2.349 355 D HA -0.093 4.547 4.640 0.000 0.000 0.224 355 D C 1.741 178.129 176.300 0.147 0.000 1.029 355 D CA 0.505 54.425 54.000 -0.132 0.000 0.879 355 D CB -0.030 40.529 40.800 -0.402 0.000 0.906 355 D HN 0.311 nan 8.370 nan 0.000 0.528 356 L N -0.673 120.633 121.223 0.138 0.000 2.638 356 L HA 0.213 4.553 4.340 0.000 0.000 0.232 356 L C 0.834 177.865 176.870 0.269 0.000 1.099 356 L CA -0.271 54.667 54.840 0.164 0.000 0.883 356 L CB 0.106 42.226 42.059 0.102 0.000 1.136 356 L HN 0.033 nan 8.230 nan 0.000 0.492 357 D N 0.491 121.087 120.400 0.327 0.000 2.354 357 D HA -0.030 4.610 4.640 0.000 0.000 0.247 357 D C -0.283 176.212 176.300 0.325 0.000 1.138 357 D CA -0.233 53.968 54.000 0.333 0.000 0.958 357 D CB 1.069 42.072 40.800 0.339 0.000 1.144 357 D HN -0.146 nan 8.370 nan 0.000 0.458 358 D N 1.352 121.902 120.400 0.251 0.000 2.489 358 D HA -0.045 4.595 4.640 0.000 0.000 0.237 358 D C 0.907 177.018 176.300 -0.314 0.000 1.212 358 D CA -0.236 53.769 54.000 0.009 0.000 1.058 358 D CB -0.944 39.926 40.800 0.116 0.000 1.098 358 D HN 0.359 nan 8.370 nan 0.000 0.509 359 F N 0.905 120.542 119.950 -0.522 0.000 2.558 359 F HA 0.058 4.585 4.527 0.000 0.000 0.298 359 F C 1.579 177.044 175.800 -0.559 0.000 1.119 359 F CA 0.257 57.632 58.000 -1.042 0.000 1.451 359 F CB -0.091 38.435 39.000 -0.790 0.000 1.091 359 F HN 0.123 nan 8.300 nan 0.000 0.563 360 Q N 1.193 120.464 119.800 -0.881 0.000 2.250 360 Q HA 0.178 4.518 4.340 0.000 0.000 0.200 360 Q C 2.064 177.909 176.000 -0.258 0.000 0.941 360 Q CA 1.088 56.583 55.803 -0.513 0.000 0.872 360 Q CB -0.289 28.113 28.738 -0.560 0.000 0.965 360 Q HN 0.679 nan 8.270 nan 0.000 0.480 361 G N 1.074 109.740 108.800 -0.223 0.000 2.159 361 G HA2 -0.322 3.639 3.960 0.000 0.000 0.256 361 G HA3 -0.322 3.639 3.960 0.000 0.000 0.256 361 G C 1.060 175.917 174.900 -0.071 0.000 0.977 361 G CA 0.950 45.995 45.100 -0.091 0.000 0.652 361 G HN 0.470 nan 8.290 nan 0.000 0.531 362 S N -0.985 114.643 115.700 -0.120 0.000 2.470 362 S HA 0.329 4.799 4.470 0.000 0.000 0.222 362 S C 1.817 176.274 174.600 -0.239 0.000 1.024 362 S CA 1.134 59.209 58.200 -0.207 0.000 0.931 362 S CB -0.232 62.756 63.200 -0.353 0.000 0.791 362 S HN 0.273 nan 8.310 nan 0.000 0.513 363 F N 1.843 121.683 119.950 -0.183 0.000 2.149 363 F HA 0.146 4.673 4.527 0.000 0.000 0.294 363 F C 2.239 177.989 175.800 -0.083 0.000 1.095 363 F CA 0.156 58.081 58.000 -0.126 0.000 1.276 363 F CB -0.678 38.247 39.000 -0.124 0.000 1.023 363 F HN 0.251 nan 8.300 nan 0.000 0.480 364 c N 0.546 119.225 118.600 0.130 0.000 2.578 364 c HA 0.574 5.145 4.570 0.000 0.000 0.285 364 c C 1.373 175.494 174.090 0.051 0.000 1.297 364 c CA -0.113 56.258 56.329 0.070 0.000 1.690 364 c CB -1.879 40.695 42.510 0.107 0.000 1.773 364 c HN 0.753 nan 8.230 nan 0.000 0.594 365 G N 1.180 109.993 108.800 0.022 0.000 2.698 365 G HA2 -0.109 3.851 3.960 0.000 0.000 0.233 365 G HA3 -0.109 3.851 3.960 0.000 0.000 0.233 365 G C 0.269 175.182 174.900 0.021 0.000 1.352 365 G CA 0.300 45.403 45.100 0.005 0.000 0.879 365 G HN 0.425 nan 8.290 nan 0.000 0.567 366 Q N -1.123 118.687 119.800 0.017 0.000 2.224 366 Q HA -0.276 4.064 4.340 0.000 0.000 0.189 366 Q C 1.127 177.139 176.000 0.021 0.000 0.639 366 Q CA 2.503 58.321 55.803 0.026 0.000 1.436 366 Q CB -2.014 26.752 28.738 0.046 0.000 1.626 366 Q HN 1.716 nan 8.270 nan 0.000 0.768 367 D N -1.635 118.769 120.400 0.007 0.000 3.028 367 D HA -0.222 4.418 4.640 0.000 0.000 0.211 367 D C 0.406 176.716 176.300 0.017 0.000 1.136 367 D CA 1.283 55.281 54.000 -0.003 0.000 0.987 367 D CB -1.060 39.737 40.800 -0.005 0.000 1.128 367 D HN 0.399 nan 8.370 nan 0.000 0.406 368 L N 1.592 122.839 121.223 0.040 0.000 2.499 368 L HA 0.120 4.460 4.340 0.000 0.000 0.273 368 L C 0.558 177.470 176.870 0.069 0.000 1.195 368 L CA 0.566 55.446 54.840 0.067 0.000 0.882 368 L CB 0.319 42.426 42.059 0.081 0.000 1.133 368 L HN -0.073 nan 8.230 nan 0.000 0.483 369 R N 4.270 124.831 120.500 0.102 0.000 2.457 369 R HA 0.365 4.705 4.340 0.000 0.000 0.284 369 R C -0.397 176.044 176.300 0.235 0.000 1.024 369 R CA -0.584 55.566 56.100 0.084 0.000 1.025 369 R CB 0.420 30.823 30.300 0.172 0.000 1.063 369 R HN 0.626 nan 8.270 nan 0.000 0.493 370 F N 1.003 121.037 119.950 0.140 0.000 2.943 370 F HA -0.195 4.332 4.527 0.000 0.000 0.258 370 F C -1.280 174.584 175.800 0.106 0.000 0.995 370 F CA -0.139 57.945 58.000 0.139 0.000 0.896 370 F CB -1.103 37.971 39.000 0.122 0.000 0.821 370 F HN 0.584 nan 8.300 nan 0.000 0.828 371 P HA -0.234 nan 4.420 nan 0.000 0.215 371 P C 1.831 179.179 177.300 0.081 0.000 1.157 371 P CA 1.827 65.021 63.100 0.157 0.000 0.874 371 P CB 0.222 32.045 31.700 0.205 0.000 0.790 372 L N -0.866 120.356 121.223 -0.002 0.000 2.005 372 L HA -0.110 4.230 4.340 0.000 0.000 0.207 372 L C 2.736 179.626 176.870 0.033 0.000 1.072 372 L CA 2.173 56.962 54.840 -0.084 0.000 0.744 372 L CB -1.790 40.135 42.059 -0.223 0.000 0.895 372 L HN 0.025 nan 8.230 nan 0.000 0.433 373 T N -0.609 114.015 114.554 0.117 0.000 2.746 373 T HA -0.150 4.200 4.350 0.000 0.000 0.267 373 T C 1.770 176.527 174.700 0.094 0.000 1.039 373 T CA 1.287 63.458 62.100 0.118 0.000 1.142 373 T CB -0.282 68.680 68.868 0.156 0.000 0.866 373 T HN 0.270 nan 8.240 nan 0.000 0.444 374 N N 1.164 119.942 118.700 0.129 0.000 2.166 374 N HA -0.016 4.725 4.740 0.000 0.000 0.186 374 N C 2.179 177.733 175.510 0.073 0.000 1.019 374 N CA 1.242 54.354 53.050 0.103 0.000 0.856 374 N CB -0.370 38.196 38.487 0.133 0.000 0.993 374 N HN 0.427 nan 8.380 nan 0.000 0.426 375 A N 1.494 124.353 122.820 0.064 0.000 1.883 375 A HA -0.099 4.221 4.320 0.000 0.000 0.217 375 A C 2.324 179.929 177.584 0.034 0.000 1.186 375 A CA 0.945 53.008 52.037 0.043 0.000 0.624 375 A CB -0.650 18.365 19.000 0.025 0.000 0.822 375 A HN 0.212 nan 8.150 nan 0.000 0.444 376 I N -0.510 120.080 120.570 0.033 0.000 2.179 376 I HA -0.275 3.896 4.170 0.000 0.000 0.242 376 I C 2.593 178.727 176.117 0.027 0.000 1.088 376 I CA 1.911 63.227 61.300 0.025 0.000 1.357 376 I CB -0.307 37.713 38.000 0.032 0.000 1.051 376 I HN 0.422 nan 8.210 nan 0.000 0.409 377 K N 0.948 121.372 120.400 0.040 0.000 2.057 377 K HA -0.229 4.092 4.320 0.000 0.000 0.207 377 K C 1.644 178.273 176.600 0.049 0.000 1.049 377 K CA 1.899 58.214 56.287 0.046 0.000 0.931 377 K CB -0.054 32.475 32.500 0.049 0.000 0.714 377 K HN 0.236 nan 8.250 nan 0.000 0.440 378 D N 0.589 121.016 120.400 0.046 0.000 2.084 378 D HA -0.150 4.490 4.640 0.000 0.000 0.194 378 D C 1.878 178.203 176.300 0.042 0.000 0.990 378 D CA 1.521 55.548 54.000 0.044 0.000 0.826 378 D CB -0.393 40.432 40.800 0.042 0.000 0.971 378 D HN 0.362 nan 8.370 nan 0.000 0.453 379 A N 0.949 123.788 122.820 0.033 0.000 1.917 379 A HA -0.172 4.148 4.320 0.000 0.000 0.219 379 A C 2.444 180.044 177.584 0.027 0.000 1.182 379 A CA 1.122 53.174 52.037 0.025 0.000 0.633 379 A CB -0.899 18.108 19.000 0.011 0.000 0.819 379 A HN 0.229 nan 8.150 nan 0.000 0.448 380 L N -1.206 120.032 121.223 0.024 0.000 2.083 380 L HA -0.192 4.148 4.340 0.000 0.000 0.209 380 L C 2.950 179.918 176.870 0.163 0.000 1.083 380 L CA 1.105 55.974 54.840 0.048 0.000 0.752 380 L CB -0.405 41.684 42.059 0.050 0.000 0.899 380 L HN 0.463 nan 8.230 nan 0.000 0.433 381 A N -0.238 122.649 122.820 0.112 0.000 2.072 381 A HA 0.286 4.606 4.320 0.000 0.000 0.216 381 A C 1.467 179.100 177.584 0.082 0.000 1.156 381 A CA 0.556 52.654 52.037 0.102 0.000 0.701 381 A CB -0.353 18.689 19.000 0.070 0.000 0.816 381 A HN 0.295 nan 8.150 nan 0.000 0.458 382 A N -0.661 122.201 122.820 0.070 0.000 2.455 382 A HA 0.462 4.782 4.320 0.000 0.000 0.244 382 A C 1.014 178.635 177.584 0.062 0.000 1.099 382 A CA 0.791 52.861 52.037 0.056 0.000 0.786 382 A CB -0.680 18.347 19.000 0.046 0.000 1.051 382 A HN 1.155 nan 8.150 nan 0.000 0.508 383 T N 0.000 114.583 114.554 0.048 0.000 3.816 383 T HA 0.000 4.350 4.350 0.000 0.000 0.228 383 T CA 0.000 62.127 62.100 0.045 0.000 1.349 383 T CB 0.000 68.900 68.868 0.053 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658