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 1lvn_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.460 176.300 0.267 0.000 1.140 7 M CA 0.000 55.384 55.300 0.140 0.000 0.988 7 M CB 0.000 32.665 32.600 0.108 0.000 1.302 8 V N 0.022 120.096 119.914 0.266 0.000 3.001 8 V HA 0.838 4.958 4.120 -0.000 0.000 0.314 8 V C -2.686 173.325 176.094 -0.139 0.000 1.099 8 V CA -2.101 60.309 62.300 0.183 0.000 0.989 8 V CB 1.931 33.770 31.823 0.027 0.000 1.040 8 V HN 0.692 nan 8.190 nan 0.000 0.434 9 P HA 0.102 nan 4.420 nan 0.000 0.271 9 P C 0.667 177.591 177.300 -0.626 0.000 1.226 9 P CA 0.021 62.383 63.100 -1.228 0.000 0.765 9 P CB 1.204 32.297 31.700 -1.011 0.000 0.835 10 M N 3.174 122.398 119.600 -0.627 0.000 2.080 10 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 10 M C 1.202 177.316 176.300 -0.311 0.000 1.068 10 M CA 1.951 56.983 55.300 -0.448 0.000 1.109 10 M CB -0.452 31.803 32.600 -0.575 0.000 1.342 10 M HN 0.278 nan 8.290 nan 0.000 0.405 11 D N 0.547 120.761 120.400 -0.310 0.000 2.103 11 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 11 D C 1.955 178.175 176.300 -0.133 0.000 0.997 11 D CA 1.454 55.348 54.000 -0.177 0.000 0.833 11 D CB -0.294 40.413 40.800 -0.154 0.000 0.961 11 D HN 0.412 nan 8.370 nan 0.000 0.447 12 K N 0.158 120.456 120.400 -0.169 0.000 2.009 12 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 12 K C 2.268 178.822 176.600 -0.076 0.000 1.049 12 K CA 1.340 57.559 56.287 -0.113 0.000 0.929 12 K CB -0.547 31.877 32.500 -0.127 0.000 0.714 12 K HN 0.138 nan 8.250 nan 0.000 0.440 13 T N 2.485 116.980 114.554 -0.099 0.000 2.665 13 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 13 T C 2.021 176.727 174.700 0.011 0.000 1.035 13 T CA 1.324 63.394 62.100 -0.049 0.000 1.151 13 T CB -0.273 68.552 68.868 -0.073 0.000 0.862 13 T HN 0.125 nan 8.240 nan 0.000 0.438 14 L N 0.332 121.561 121.223 0.010 0.000 2.005 14 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 14 L C 2.591 179.519 176.870 0.096 0.000 1.072 14 L CA 1.388 56.285 54.840 0.095 0.000 0.744 14 L CB -0.449 41.666 42.059 0.093 0.000 0.895 14 L HN 0.213 nan 8.230 nan 0.000 0.433 15 K N -0.200 120.220 120.400 0.033 0.000 2.442 15 K HA -0.187 4.133 4.320 -0.000 0.000 0.198 15 K C 1.743 178.343 176.600 0.001 0.000 1.042 15 K CA 0.788 57.081 56.287 0.010 0.000 0.958 15 K CB 0.002 32.501 32.500 -0.002 0.000 0.766 15 K HN 0.325 nan 8.250 nan 0.000 0.474 16 E N -0.008 120.206 120.200 0.023 0.000 2.318 16 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 16 E C 1.155 177.790 176.600 0.058 0.000 0.998 16 E CA 0.183 56.597 56.400 0.023 0.000 0.859 16 E CB 0.151 29.862 29.700 0.019 0.000 0.812 16 E HN 0.237 nan 8.360 nan 0.000 0.492 17 F N -0.318 119.573 119.950 -0.099 0.000 2.743 17 F HA 0.267 4.794 4.527 -0.000 0.000 0.297 17 F C 1.268 176.976 175.800 -0.153 0.000 1.131 17 F CA 1.248 59.163 58.000 -0.141 0.000 1.426 17 F CB 0.607 39.485 39.000 -0.203 0.000 1.116 17 F HN 0.071 nan 8.300 nan 0.000 0.583 18 G N 0.609 109.250 108.800 -0.265 0.000 2.176 18 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.232 18 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.232 18 G C 0.365 175.089 174.900 -0.294 0.000 0.986 18 G CA 0.000 44.910 45.100 -0.317 0.000 0.643 18 G HN 0.831 nan 8.290 nan 0.000 0.522 19 A N -0.178 122.509 122.820 -0.223 0.000 2.340 19 A HA 0.627 4.947 4.320 -0.000 0.000 0.268 19 A C 0.029 177.624 177.584 0.019 0.000 1.100 19 A CA 0.445 52.435 52.037 -0.078 0.000 0.803 19 A CB 0.656 19.690 19.000 0.057 0.000 1.043 19 A HN 0.443 nan 8.150 nan 0.000 0.488 20 D N 0.571 121.004 120.400 0.055 0.000 2.210 20 D HA 0.468 5.108 4.640 -0.000 0.000 0.249 20 D C -0.802 175.564 176.300 0.110 0.000 1.078 20 D CA 0.170 54.210 54.000 0.067 0.000 0.875 20 D CB 1.165 41.998 40.800 0.056 0.000 1.175 20 D HN 0.182 nan 8.370 nan 0.000 0.440 21 V N 4.142 124.127 119.914 0.118 0.000 2.448 21 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 21 V C -0.367 175.850 176.094 0.204 0.000 1.025 21 V CA -0.709 61.699 62.300 0.181 0.000 0.859 21 V CB 1.511 33.441 31.823 0.177 0.000 0.988 21 V HN 0.532 nan 8.190 nan 0.000 0.431 22 Q N 4.129 124.078 119.800 0.248 0.000 2.337 22 Q HA 0.409 4.749 4.340 -0.000 0.000 0.270 22 Q C -1.343 174.808 176.000 0.251 0.000 1.043 22 Q CA -0.361 55.564 55.803 0.202 0.000 0.794 22 Q CB 2.972 31.773 28.738 0.105 0.000 1.281 22 Q HN 0.856 nan 8.270 nan 0.000 0.446 23 W N 4.006 125.276 121.300 -0.051 0.000 2.475 23 W HA 0.342 5.002 4.660 0.000 0.000 0.317 23 W C -1.360 175.049 176.519 -0.184 0.000 1.046 23 W CA -0.496 56.672 57.345 -0.294 0.000 1.215 23 W CB 1.501 30.718 29.460 -0.406 0.000 1.335 23 W HN 0.628 nan 8.180 nan 0.000 0.471 24 D N 4.729 124.540 120.400 -0.981 0.000 2.472 24 D HA 0.027 4.667 4.640 -0.000 0.000 0.234 24 D C 0.757 176.345 176.300 -1.187 0.000 1.088 24 D CA -0.012 53.521 54.000 -0.778 0.000 0.882 24 D CB 0.872 41.415 40.800 -0.429 0.000 1.037 24 D HN 0.424 nan 8.370 nan 0.000 0.520 25 D N 2.421 122.292 120.400 -0.882 0.000 2.149 25 D HA -0.260 4.380 4.640 -0.000 0.000 0.198 25 D C 1.537 177.681 176.300 -0.259 0.000 0.990 25 D CA 1.135 54.858 54.000 -0.462 0.000 0.839 25 D CB -0.148 40.666 40.800 0.025 0.000 0.948 25 D HN 0.598 nan 8.370 nan 0.000 0.460 26 Y N 0.342 120.472 120.300 -0.282 0.000 2.181 26 Y HA -0.120 4.429 4.550 -0.000 0.000 0.288 26 Y C 1.955 177.739 175.900 -0.194 0.000 1.146 26 Y CA 2.069 60.060 58.100 -0.181 0.000 1.164 26 Y CB -0.114 38.263 38.460 -0.138 0.000 0.982 26 Y HN 0.017 nan 8.280 nan 0.000 0.515 27 A N -0.879 121.759 122.820 -0.303 0.000 2.308 27 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 27 A C 0.581 177.950 177.584 -0.359 0.000 1.216 27 A CA 0.211 52.045 52.037 -0.338 0.000 0.864 27 A CB -0.038 18.857 19.000 -0.176 0.000 0.902 27 A HN 0.489 nan 8.150 nan 0.000 0.499 28 Q N -1.623 117.865 119.800 -0.520 0.000 2.452 28 Q HA -0.209 4.131 4.340 -0.000 0.000 0.318 28 Q C -0.809 174.904 176.000 -0.479 0.000 1.386 28 Q CA 0.906 56.396 55.803 -0.523 0.000 0.872 28 Q CB -1.751 26.939 28.738 -0.081 0.000 1.151 28 Q HN 0.602 nan 8.270 nan 0.000 0.417 29 L N -0.388 120.354 121.223 -0.801 0.000 2.431 29 L HA 0.642 4.982 4.340 -0.000 0.000 0.266 29 L C -1.094 175.597 176.870 -0.300 0.000 0.978 29 L CA -0.504 54.139 54.840 -0.328 0.000 0.822 29 L CB 1.395 43.350 42.059 -0.174 0.000 1.310 29 L HN 0.049 nan 8.230 nan 0.000 0.409 30 F N 2.386 122.432 119.950 0.160 0.000 2.408 30 F HA 0.562 5.089 4.527 -0.000 0.000 0.344 30 F C 0.447 176.303 175.800 0.093 0.000 1.112 30 F CA -0.196 57.942 58.000 0.230 0.000 1.096 30 F CB 1.967 41.133 39.000 0.278 0.000 1.129 30 F HN 0.366 nan 8.300 nan 0.000 0.486 31 T N 5.574 120.271 114.554 0.237 0.000 2.772 31 T HA 0.535 4.885 4.350 -0.000 0.000 0.288 31 T C -0.427 174.305 174.700 0.052 0.000 0.994 31 T CA -0.561 61.568 62.100 0.047 0.000 0.951 31 T CB 0.405 69.238 68.868 -0.059 0.000 0.933 31 T HN 0.286 nan 8.240 nan 0.000 0.447 32 L N 4.879 126.114 121.223 0.019 0.000 2.296 32 L HA 0.667 5.007 4.340 -0.000 0.000 0.286 32 L C -0.463 176.442 176.870 0.057 0.000 1.023 32 L CA -0.880 54.038 54.840 0.130 0.000 0.812 32 L CB 1.250 43.491 42.059 0.304 0.000 1.223 32 L HN 0.491 nan 8.230 nan 0.000 0.421 33 I N 3.695 124.330 120.570 0.108 0.000 2.498 33 I HA 0.467 4.637 4.170 -0.000 0.000 0.290 33 I C -0.481 175.742 176.117 0.177 0.000 1.032 33 I CA -0.590 60.779 61.300 0.116 0.000 1.073 33 I CB 2.285 40.312 38.000 0.045 0.000 1.251 33 I HN 0.553 nan 8.210 nan 0.000 0.426 34 K N 5.961 126.501 120.400 0.233 0.000 2.690 34 K HA 0.226 4.546 4.320 -0.000 0.000 0.264 34 K C -1.113 175.583 176.600 0.160 0.000 1.040 34 K CA -0.332 56.021 56.287 0.111 0.000 0.946 34 K CB 0.991 33.449 32.500 -0.069 0.000 1.268 34 K HN 0.753 nan 8.250 nan 0.000 0.473 35 D N 1.797 122.277 120.400 0.132 0.000 3.845 35 D HA -0.251 4.389 4.640 -0.000 0.000 0.144 35 D C 0.952 177.388 176.300 0.228 0.000 0.889 35 D CA 2.134 56.249 54.000 0.192 0.000 1.096 35 D CB -1.008 39.923 40.800 0.219 0.000 0.515 35 D HN 0.743 nan 8.370 nan 0.000 0.525 36 G N 0.391 109.348 108.800 0.262 0.000 2.920 36 G HA2 0.370 4.330 3.960 -0.000 0.000 0.208 36 G HA3 0.370 4.330 3.960 -0.000 0.000 0.208 36 G C 0.363 175.388 174.900 0.207 0.000 1.159 36 G CA 1.007 46.224 45.100 0.195 0.000 0.784 36 G HN 0.645 nan 8.290 nan 0.000 0.535 37 A N 0.098 123.081 122.820 0.272 0.000 2.276 37 A HA 0.626 4.945 4.320 -0.000 0.000 0.300 37 A C -1.512 176.237 177.584 0.275 0.000 1.235 37 A CA -0.619 51.580 52.037 0.270 0.000 0.867 37 A CB 0.452 19.686 19.000 0.391 0.000 1.137 37 A HN 0.297 nan 8.150 nan 0.000 0.527 38 Y N 3.397 123.750 120.300 0.087 0.000 2.447 38 Y HA 0.497 5.047 4.550 -0.000 0.000 0.325 38 Y C -0.784 175.132 175.900 0.028 0.000 0.976 38 Y CA -0.425 57.722 58.100 0.078 0.000 1.280 38 Y CB 1.224 39.720 38.460 0.061 0.000 1.104 38 Y HN 0.459 nan 8.280 nan 0.000 0.486 39 V N 5.781 125.616 119.914 -0.132 0.000 2.547 39 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 39 V C -0.738 175.320 176.094 -0.060 0.000 1.040 39 V CA -1.043 61.195 62.300 -0.104 0.000 0.913 39 V CB 1.885 33.569 31.823 -0.233 0.000 0.992 39 V HN 0.566 nan 8.190 nan 0.000 0.449 40 K N 2.772 123.192 120.400 0.033 0.000 2.507 40 K HA 0.770 5.090 4.320 -0.000 0.000 0.252 40 K C -1.656 175.019 176.600 0.126 0.000 0.943 40 K CA -0.580 55.763 56.287 0.092 0.000 0.808 40 K CB 2.531 35.098 32.500 0.112 0.000 1.142 40 K HN 0.430 nan 8.250 nan 0.000 0.426 41 V N 3.308 123.343 119.914 0.203 0.000 2.777 41 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 41 V C -1.678 174.604 176.094 0.313 0.000 1.112 41 V CA -0.759 61.681 62.300 0.232 0.000 0.917 41 V CB 1.834 33.813 31.823 0.260 0.000 1.018 41 V HN 0.652 nan 8.190 nan 0.000 0.426 42 K N 6.869 127.410 120.400 0.235 0.000 2.156 42 K HA 0.548 4.868 4.320 -0.000 0.000 0.271 42 K C -2.709 174.049 176.600 0.262 0.000 0.995 42 K CA -1.750 54.688 56.287 0.252 0.000 0.890 42 K CB 1.499 34.084 32.500 0.141 0.000 1.073 42 K HN 0.439 nan 8.250 nan 0.000 0.454 43 P HA -0.065 nan 4.420 nan 0.000 0.265 43 P C 0.648 178.039 177.300 0.151 0.000 1.193 43 P CA 0.868 64.113 63.100 0.242 0.000 0.765 43 P CB 0.596 32.461 31.700 0.275 0.000 0.823 44 G N 1.851 110.715 108.800 0.106 0.000 2.212 44 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.266 44 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.266 44 G C 0.455 175.398 174.900 0.072 0.000 0.978 44 G CA 0.067 45.213 45.100 0.077 0.000 0.632 44 G HN 0.861 nan 8.290 nan 0.000 0.537 45 A N 0.003 122.876 122.820 0.088 0.000 2.401 45 A HA 0.652 4.972 4.320 -0.000 0.000 0.259 45 A C 1.130 178.756 177.584 0.071 0.000 1.103 45 A CA 0.837 52.920 52.037 0.076 0.000 0.789 45 A CB 0.358 19.411 19.000 0.088 0.000 1.035 45 A HN 0.470 nan 8.150 nan 0.000 0.491 46 Q N 0.299 120.131 119.800 0.054 0.000 2.436 46 Q HA -0.009 4.331 4.340 -0.000 0.000 0.209 46 Q C 0.595 176.624 176.000 0.048 0.000 0.965 46 Q CA 1.295 57.126 55.803 0.047 0.000 0.910 46 Q CB -0.033 28.726 28.738 0.034 0.000 0.980 46 Q HN 0.942 nan 8.270 nan 0.000 0.491 47 T N -4.048 110.537 114.554 0.052 0.000 2.841 47 T HA 0.808 5.158 4.350 -0.000 0.000 0.296 47 T C -0.972 173.763 174.700 0.058 0.000 1.166 47 T CA -0.675 61.452 62.100 0.045 0.000 1.007 47 T CB 2.203 71.089 68.868 0.030 0.000 1.253 47 T HN 0.023 nan 8.240 nan 0.000 0.511 48 A N 0.836 123.681 122.820 0.041 0.000 2.486 48 A HA 0.845 5.165 4.320 -0.000 0.000 0.289 48 A C -1.326 176.269 177.584 0.018 0.000 1.176 48 A CA -0.994 51.070 52.037 0.045 0.000 0.757 48 A CB 1.321 20.346 19.000 0.042 0.000 1.337 48 A HN 0.798 nan 8.150 nan 0.000 0.423 49 I N 1.397 121.981 120.570 0.023 0.000 2.418 49 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 49 I C -0.879 175.240 176.117 0.005 0.000 1.008 49 I CA -0.474 60.840 61.300 0.023 0.000 1.104 49 I CB 1.097 39.130 38.000 0.056 0.000 1.264 49 I HN 0.254 nan 8.210 nan 0.000 0.438 50 V N 6.157 126.062 119.914 -0.015 0.000 2.378 50 V HA 0.352 4.472 4.120 -0.000 0.000 0.288 50 V C 0.580 176.688 176.094 0.023 0.000 1.016 50 V CA -0.847 61.435 62.300 -0.030 0.000 0.840 50 V CB 0.921 32.687 31.823 -0.095 0.000 0.994 50 V HN 0.873 nan 8.190 nan 0.000 0.431 51 N N 4.152 122.901 118.700 0.081 0.000 2.714 51 N HA -0.262 4.478 4.740 -0.000 0.000 0.252 51 N C 1.208 176.739 175.510 0.035 0.000 1.014 51 N CA 0.440 53.534 53.050 0.073 0.000 0.735 51 N CB -0.653 37.864 38.487 0.050 0.000 0.924 51 N HN 1.363 nan 8.380 nan 0.000 0.540 52 G N -1.204 107.623 108.800 0.045 0.000 2.234 52 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 52 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 52 G C -0.100 174.809 174.900 0.015 0.000 0.987 52 G CA 0.363 45.476 45.100 0.022 0.000 0.625 52 G HN 0.414 nan 8.290 nan 0.000 0.532 53 Q N 1.203 121.011 119.800 0.013 0.000 2.290 53 Q HA 0.418 4.758 4.340 -0.000 0.000 0.259 53 Q C -2.291 173.709 176.000 -0.000 0.000 0.941 53 Q CA -1.968 53.837 55.803 0.003 0.000 0.912 53 Q CB 2.236 30.972 28.738 -0.003 0.000 1.244 53 Q HN 0.371 nan 8.270 nan 0.000 0.441 54 P HA 0.113 nan 4.420 nan 0.000 0.271 54 P C -0.799 176.495 177.300 -0.009 0.000 1.216 54 P CA -0.395 62.705 63.100 0.001 0.000 0.776 54 P CB 0.865 32.569 31.700 0.005 0.000 0.881 55 L N 2.970 124.186 121.223 -0.013 0.000 2.406 55 L HA 0.636 4.976 4.340 -0.000 0.000 0.272 55 L C -0.619 176.244 176.870 -0.011 0.000 0.980 55 L CA -0.857 53.968 54.840 -0.026 0.000 0.831 55 L CB 1.590 43.613 42.059 -0.060 0.000 1.253 55 L HN 0.437 nan 8.230 nan 0.000 0.406 56 A N 5.886 128.702 122.820 -0.007 0.000 2.488 56 A HA 0.538 4.858 4.320 -0.000 0.000 0.249 56 A C -0.555 177.033 177.584 0.007 0.000 1.083 56 A CA -0.081 51.959 52.037 0.005 0.000 0.768 56 A CB -0.143 18.860 19.000 0.004 0.000 1.017 56 A HN 0.756 nan 8.150 nan 0.000 0.496 57 L N 2.935 124.175 121.223 0.028 0.000 2.295 57 L HA 0.237 4.577 4.340 -0.000 0.000 0.285 57 L C 1.352 178.250 176.870 0.047 0.000 1.035 57 L CA -0.453 54.416 54.840 0.048 0.000 0.806 57 L CB 1.457 43.572 42.059 0.092 0.000 1.214 57 L HN 0.945 nan 8.230 nan 0.000 0.426 58 Q N 1.664 121.491 119.800 0.046 0.000 2.020 58 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 58 Q C -0.176 175.852 176.000 0.047 0.000 0.982 58 Q CA 1.178 57.004 55.803 0.039 0.000 0.838 58 Q CB 0.191 28.952 28.738 0.037 0.000 0.899 58 Q HN 0.458 nan 8.270 nan 0.000 0.423 59 V N 2.298 122.253 119.914 0.068 0.000 2.376 59 V HA 0.268 4.388 4.120 -0.000 0.000 0.287 59 V C -2.283 173.858 176.094 0.079 0.000 1.015 59 V CA -1.711 60.626 62.300 0.063 0.000 0.834 59 V CB 1.209 33.067 31.823 0.057 0.000 1.001 59 V HN 0.102 nan 8.190 nan 0.000 0.428 60 P HA 0.067 nan 4.420 nan 0.000 0.269 60 P C -0.161 177.160 177.300 0.035 0.000 1.217 60 P CA -0.075 63.066 63.100 0.067 0.000 0.783 60 P CB 0.457 32.190 31.700 0.056 0.000 0.898 61 V N 2.377 122.302 119.914 0.018 0.000 2.585 61 V HA 0.019 4.139 4.120 -0.000 0.000 0.296 61 V C 0.462 176.557 176.094 0.001 0.000 1.035 61 V CA 0.323 62.580 62.300 -0.072 0.000 1.084 61 V CB 0.749 32.512 31.823 -0.100 0.000 0.953 61 V HN 0.201 nan 8.190 nan 0.000 0.483 62 V N 6.651 126.571 119.914 0.010 0.000 2.384 62 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 62 V C 0.102 176.279 176.094 0.139 0.000 1.020 62 V CA -0.653 61.689 62.300 0.070 0.000 0.850 62 V CB 1.710 33.568 31.823 0.058 0.000 0.987 62 V HN 0.731 nan 8.190 nan 0.000 0.436 63 M N 5.716 125.379 119.600 0.104 0.000 2.080 63 M HA 0.443 4.923 4.480 -0.000 0.000 0.350 63 M C -0.374 175.990 176.300 0.106 0.000 1.173 63 M CA 0.022 55.386 55.300 0.107 0.000 1.052 63 M CB 0.792 33.418 32.600 0.044 0.000 1.577 63 M HN 0.482 nan 8.290 nan 0.000 0.455 64 K N 2.723 123.239 120.400 0.193 0.000 2.463 64 K HA 0.173 4.493 4.320 -0.000 0.000 0.255 64 K C -0.423 176.254 176.600 0.129 0.000 0.942 64 K CA -0.118 56.228 56.287 0.097 0.000 0.814 64 K CB 1.075 33.535 32.500 -0.066 0.000 1.122 64 K HN 0.659 nan 8.250 nan 0.000 0.425 65 D N 2.918 123.352 120.400 0.056 0.000 3.059 65 D HA -0.218 4.422 4.640 -0.000 0.000 0.220 65 D C -0.844 175.478 176.300 0.035 0.000 1.169 65 D CA 1.643 55.672 54.000 0.048 0.000 0.902 65 D CB -1.327 39.515 40.800 0.070 0.000 1.116 65 D HN 1.010 nan 8.370 nan 0.000 0.417 66 N N -1.221 117.491 118.700 0.020 0.000 2.780 66 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 66 N C -1.127 174.339 175.510 -0.074 0.000 1.102 66 N CA 1.192 54.215 53.050 -0.044 0.000 0.697 66 N CB -0.219 38.238 38.487 -0.050 0.000 1.028 66 N HN 0.289 nan 8.380 nan 0.000 0.554 67 K N 0.257 120.658 120.400 0.003 0.000 2.426 67 K HA 0.688 5.008 4.320 -0.000 0.000 0.254 67 K C -0.256 176.304 176.600 -0.067 0.000 0.936 67 K CA -0.516 55.745 56.287 -0.043 0.000 0.801 67 K CB 1.910 34.453 32.500 0.072 0.000 1.139 67 K HN 0.177 nan 8.250 nan 0.000 0.424 68 A N 2.979 125.656 122.820 -0.238 0.000 2.401 68 A HA 0.535 4.855 4.320 -0.000 0.000 0.259 68 A C -1.199 176.072 177.584 -0.523 0.000 1.103 68 A CA -0.207 51.666 52.037 -0.273 0.000 0.789 68 A CB 0.108 18.840 19.000 -0.446 0.000 1.035 68 A HN 0.638 nan 8.150 nan 0.000 0.491 69 W N 0.910 122.076 121.300 -0.223 0.000 2.819 69 W HA 0.547 5.207 4.660 -0.000 0.000 0.337 69 W C -0.389 175.963 176.519 -0.279 0.000 1.077 69 W CA -0.486 56.732 57.345 -0.210 0.000 1.226 69 W CB 2.102 31.481 29.460 -0.135 0.000 1.419 69 W HN 0.747 nan 8.180 nan 0.000 0.502 70 V N -0.332 119.526 119.914 -0.094 0.000 3.078 70 V HA 0.689 4.809 4.120 -0.000 0.000 0.311 70 V C 0.062 176.137 176.094 -0.032 0.000 1.138 70 V CA -1.227 60.932 62.300 -0.235 0.000 1.007 70 V CB 1.132 32.512 31.823 -0.738 0.000 1.045 70 V HN 0.517 nan 8.190 nan 0.000 0.432 71 S N 1.165 116.882 115.700 0.029 0.000 2.558 71 S HA 0.011 4.481 4.470 -0.000 0.000 0.287 71 S C 0.954 175.615 174.600 0.101 0.000 1.321 71 S CA 0.626 58.879 58.200 0.088 0.000 1.048 71 S CB 0.308 63.582 63.200 0.123 0.000 0.844 71 S HN 1.243 nan 8.310 nan 0.000 0.512 72 D N 1.803 122.249 120.400 0.076 0.000 2.371 72 D HA -0.038 4.602 4.640 -0.000 0.000 0.234 72 D C 1.358 177.692 176.300 0.058 0.000 1.049 72 D CA 0.969 55.006 54.000 0.062 0.000 0.907 72 D CB -0.656 40.172 40.800 0.046 0.000 0.891 72 D HN 0.562 nan 8.370 nan 0.000 0.531 73 T N -4.783 109.818 114.554 0.079 0.000 3.044 73 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 73 T C 1.372 176.112 174.700 0.068 0.000 1.019 73 T CA -0.613 61.518 62.100 0.052 0.000 0.921 73 T CB -0.646 68.243 68.868 0.035 0.000 1.053 73 T HN -0.010 nan 8.240 nan 0.000 0.533 74 F N 2.904 122.833 119.950 -0.034 0.000 2.015 74 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 74 F C 1.887 177.669 175.800 -0.030 0.000 1.141 74 F CA 1.495 59.474 58.000 -0.034 0.000 1.192 74 F CB -0.598 38.380 39.000 -0.036 0.000 0.957 74 F HN 0.094 nan 8.300 nan 0.000 0.491 75 I N 0.345 120.915 120.570 -0.000 0.000 2.145 75 I HA -0.441 3.729 4.170 -0.000 0.000 0.244 75 I C 2.540 178.564 176.117 -0.156 0.000 1.075 75 I CA 2.015 63.230 61.300 -0.142 0.000 1.332 75 I CB -0.845 36.886 38.000 -0.447 0.000 1.033 75 I HN 0.413 nan 8.210 nan 0.000 0.410 76 N N 1.075 119.695 118.700 -0.134 0.000 2.084 76 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 76 N C 1.415 176.869 175.510 -0.094 0.000 1.030 76 N CA 2.112 55.108 53.050 -0.089 0.000 0.849 76 N CB -0.189 38.264 38.487 -0.057 0.000 1.012 76 N HN 0.264 nan 8.380 nan 0.000 0.423 77 D N 0.387 120.712 120.400 -0.125 0.000 2.104 77 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 77 D C 2.098 178.265 176.300 -0.222 0.000 0.994 77 D CA 0.871 54.786 54.000 -0.143 0.000 0.830 77 D CB -0.274 40.451 40.800 -0.125 0.000 0.959 77 D HN 0.162 nan 8.370 nan 0.000 0.452 78 V N -0.086 119.590 119.914 -0.396 0.000 2.300 78 V HA -0.113 4.007 4.120 -0.000 0.000 0.241 78 V C 2.098 177.932 176.094 -0.433 0.000 1.034 78 V CA 1.057 63.041 62.300 -0.526 0.000 1.021 78 V CB -0.558 30.675 31.823 -0.984 0.000 0.662 78 V HN 0.029 nan 8.190 nan 0.000 0.458 79 F N 0.364 120.175 119.950 -0.233 0.000 2.206 79 F HA -0.076 4.450 4.527 -0.000 0.000 0.298 79 F C 2.168 177.950 175.800 -0.030 0.000 1.090 79 F CA 1.167 59.118 58.000 -0.082 0.000 1.323 79 F CB -0.224 38.743 39.000 -0.055 0.000 1.028 79 F HN 0.177 nan 8.300 nan 0.000 0.492 80 Q N -0.481 119.374 119.800 0.092 0.000 2.201 80 Q HA 0.077 4.417 4.340 -0.000 0.000 0.236 80 Q C 1.788 177.794 176.000 0.010 0.000 0.857 80 Q CA 0.253 56.092 55.803 0.060 0.000 1.025 80 Q CB 0.253 29.017 28.738 0.043 0.000 1.124 80 Q HN 0.312 nan 8.270 nan 0.000 0.473 81 S N -0.983 114.702 115.700 -0.025 0.000 2.383 81 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 81 S C 1.660 176.251 174.600 -0.014 0.000 1.026 81 S CA 1.021 59.196 58.200 -0.042 0.000 0.981 81 S CB 0.003 63.152 63.200 -0.086 0.000 0.818 81 S HN 0.520 nan 8.310 nan 0.000 0.472 82 G N 0.678 109.481 108.800 0.005 0.000 2.336 82 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.194 82 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.194 82 G C 0.698 175.608 174.900 0.018 0.000 0.999 82 G CA 0.112 45.224 45.100 0.020 0.000 0.669 82 G HN 0.438 nan 8.290 nan 0.000 0.482 83 L N 0.955 122.178 121.223 -0.001 0.000 2.275 83 L HA 0.142 4.482 4.340 -0.000 0.000 0.215 83 L C 1.065 177.946 176.870 0.019 0.000 1.119 83 L CA 1.105 55.944 54.840 -0.002 0.000 0.790 83 L CB -0.116 41.928 42.059 -0.025 0.000 0.919 83 L HN 0.238 nan 8.230 nan 0.000 0.443 84 D N 0.614 121.039 120.400 0.041 0.000 2.393 84 D HA 0.037 4.677 4.640 -0.000 0.000 0.232 84 D C 0.584 176.941 176.300 0.095 0.000 1.192 84 D CA 0.010 54.059 54.000 0.082 0.000 0.882 84 D CB 0.828 41.709 40.800 0.136 0.000 1.038 84 D HN 0.167 nan 8.370 nan 0.000 0.499 85 Q N 2.200 122.037 119.800 0.061 0.000 2.280 85 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 85 Q C 1.211 177.233 176.000 0.037 0.000 0.903 85 Q CA 0.028 55.862 55.803 0.053 0.000 0.948 85 Q CB 0.374 29.126 28.738 0.023 0.000 1.058 85 Q HN 0.470 nan 8.270 nan 0.000 0.493 86 T N 0.755 115.335 114.554 0.044 0.000 2.665 86 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 86 T C 0.260 174.834 174.700 -0.211 0.000 1.035 86 T CA 1.307 63.360 62.100 -0.078 0.000 1.151 86 T CB -0.077 68.780 68.868 -0.019 0.000 0.862 86 T HN 0.128 nan 8.240 nan 0.000 0.438 87 F N 1.496 121.487 119.950 0.069 0.000 2.436 87 F HA 0.470 4.997 4.527 -0.000 0.000 0.340 87 F C 0.447 176.273 175.800 0.044 0.000 1.113 87 F CA -1.055 56.981 58.000 0.059 0.000 1.022 87 F CB 1.140 40.174 39.000 0.058 0.000 1.128 87 F HN -0.154 nan 8.300 nan 0.000 0.466 88 Q N 1.814 121.717 119.800 0.171 0.000 2.348 88 Q HA 0.396 4.735 4.340 -0.000 0.000 0.271 88 Q C -0.746 175.322 176.000 0.113 0.000 1.067 88 Q CA -1.020 54.850 55.803 0.111 0.000 0.839 88 Q CB 3.064 31.836 28.738 0.056 0.000 1.354 88 Q HN 0.524 nan 8.270 nan 0.000 0.447 89 V N 1.321 121.286 119.914 0.084 0.000 2.572 89 V HA 0.036 4.156 4.120 -0.000 0.000 0.291 89 V C -0.027 176.109 176.094 0.070 0.000 1.039 89 V CA 0.202 62.546 62.300 0.074 0.000 1.055 89 V CB 0.874 32.730 31.823 0.055 0.000 0.969 89 V HN 0.782 nan 8.190 nan 0.000 0.482 90 E N 5.730 125.975 120.200 0.076 0.000 1.993 90 E HA 0.271 4.621 4.350 -0.000 0.000 0.271 90 E C 0.559 177.207 176.600 0.079 0.000 1.008 90 E CA -0.412 56.039 56.400 0.086 0.000 0.814 90 E CB 0.768 30.526 29.700 0.098 0.000 1.098 90 E HN 0.761 nan 8.360 nan 0.000 0.407 91 K N 2.835 123.280 120.400 0.075 0.000 2.167 91 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 91 K C 0.343 176.993 176.600 0.084 0.000 1.052 91 K CA 0.717 57.044 56.287 0.066 0.000 0.956 91 K CB 0.284 32.814 32.500 0.050 0.000 0.735 91 K HN 0.279 nan 8.250 nan 0.000 0.451 92 R N 2.064 122.637 120.500 0.123 0.000 2.312 92 R HA 0.206 4.546 4.340 -0.000 0.000 0.310 92 R C -2.596 173.851 176.300 0.245 0.000 1.064 92 R CA -1.759 54.450 56.100 0.181 0.000 0.983 92 R CB 1.176 31.601 30.300 0.208 0.000 1.139 92 R HN 0.037 nan 8.270 nan 0.000 0.536 93 P HA -0.136 nan 4.420 nan 0.000 0.263 93 P C -0.537 176.730 177.300 -0.055 0.000 1.195 93 P CA 0.246 63.395 63.100 0.083 0.000 0.762 93 P CB 0.577 32.294 31.700 0.029 0.000 0.799 94 H N 6.918 125.911 119.070 -0.129 0.000 2.964 94 H HA 0.016 4.572 4.556 -0.000 0.000 0.328 94 H C -1.101 173.903 175.328 -0.540 0.000 1.030 94 H CA -1.199 54.581 56.048 -0.447 0.000 1.445 94 H CB 0.781 30.489 29.762 -0.090 0.000 1.449 94 H HN 0.315 nan 8.280 nan 0.000 0.581 95 P HA -0.116 nan 4.420 nan 0.000 0.226 95 P C 1.171 178.356 177.300 -0.193 0.000 1.146 95 P CA 0.868 63.721 63.100 -0.412 0.000 0.773 95 P CB 0.360 31.768 31.700 -0.487 0.000 0.772 96 L N -1.168 120.011 121.223 -0.073 0.000 2.607 96 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 96 L C 0.815 177.563 176.870 -0.203 0.000 1.123 96 L CA -0.257 54.430 54.840 -0.255 0.000 0.890 96 L CB -0.710 41.045 42.059 -0.507 0.000 1.103 96 L HN -0.070 nan 8.230 nan 0.000 0.468 97 N N 1.337 120.001 118.700 -0.061 0.000 2.357 97 N HA 0.093 4.833 4.740 -0.000 0.000 0.257 97 N C 0.440 175.959 175.510 0.015 0.000 1.250 97 N CA -0.200 52.904 53.050 0.088 0.000 0.862 97 N CB 0.789 39.319 38.487 0.072 0.000 1.066 97 N HN 0.178 nan 8.380 nan 0.000 0.468 98 A N 3.058 125.887 122.820 0.014 0.000 2.406 98 A HA 0.158 4.478 4.320 -0.000 0.000 0.243 98 A C 0.495 178.066 177.584 -0.021 0.000 1.082 98 A CA -0.401 51.624 52.037 -0.019 0.000 0.786 98 A CB 0.207 19.185 19.000 -0.037 0.000 1.029 98 A HN 0.644 nan 8.150 nan 0.000 0.495 99 L N 1.648 122.856 121.223 -0.025 0.000 2.540 99 L HA 0.089 4.429 4.340 -0.000 0.000 0.276 99 L C 1.452 178.307 176.870 -0.026 0.000 1.212 99 L CA 0.035 54.860 54.840 -0.025 0.000 0.893 99 L CB -0.165 41.878 42.059 -0.027 0.000 1.138 99 L HN 0.974 nan 8.230 nan 0.000 0.491 100 T N -0.045 114.495 114.554 -0.024 0.000 2.788 100 T HA 0.328 4.678 4.350 -0.000 0.000 0.287 100 T C 1.257 175.939 174.700 -0.031 0.000 1.007 100 T CA -0.229 61.856 62.100 -0.024 0.000 1.005 100 T CB 1.401 70.258 68.868 -0.019 0.000 1.012 100 T HN 0.630 nan 8.240 nan 0.000 0.530 101 A N 0.800 123.602 122.820 -0.030 0.000 1.908 101 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 101 A C 2.049 179.608 177.584 -0.042 0.000 1.181 101 A CA 1.920 53.935 52.037 -0.036 0.000 0.627 101 A CB -1.169 17.812 19.000 -0.031 0.000 0.818 101 A HN 0.903 nan 8.150 nan 0.000 0.445 102 D N -0.429 119.951 120.400 -0.034 0.000 2.117 102 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 102 D C 1.965 178.242 176.300 -0.038 0.000 0.987 102 D CA 1.481 55.461 54.000 -0.034 0.000 0.829 102 D CB -0.377 40.408 40.800 -0.025 0.000 0.961 102 D HN 0.662 nan 8.370 nan 0.000 0.460 103 E N 0.001 120.181 120.200 -0.035 0.000 2.110 103 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 103 E C 2.327 178.897 176.600 -0.050 0.000 0.988 103 E CA 0.396 56.775 56.400 -0.035 0.000 0.804 103 E CB 0.005 29.688 29.700 -0.028 0.000 0.745 103 E HN 0.317 nan 8.360 nan 0.000 0.458 104 I N 1.150 121.683 120.570 -0.061 0.000 2.179 104 I HA -0.304 3.865 4.170 -0.000 0.000 0.242 104 I C 2.263 178.306 176.117 -0.123 0.000 1.088 104 I CA 1.304 62.549 61.300 -0.091 0.000 1.357 104 I CB -0.209 37.738 38.000 -0.089 0.000 1.051 104 I HN 0.021 nan 8.210 nan 0.000 0.409 105 K N 0.171 120.510 120.400 -0.101 0.000 2.097 105 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 105 K C 2.183 178.729 176.600 -0.090 0.000 1.050 105 K CA 1.133 57.357 56.287 -0.106 0.000 0.938 105 K CB -0.163 32.290 32.500 -0.078 0.000 0.718 105 K HN 0.356 nan 8.250 nan 0.000 0.442 106 Q N 0.454 120.215 119.800 -0.065 0.000 2.079 106 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 106 Q C 2.054 178.029 176.000 -0.042 0.000 0.974 106 Q CA 1.391 57.166 55.803 -0.046 0.000 0.840 106 Q CB -0.052 28.668 28.738 -0.031 0.000 0.898 106 Q HN 0.327 nan 8.270 nan 0.000 0.430 107 A N -0.097 122.694 122.820 -0.049 0.000 1.933 107 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 107 A C 2.171 179.732 177.584 -0.039 0.000 1.175 107 A CA 1.451 53.470 52.037 -0.030 0.000 0.628 107 A CB -0.610 18.369 19.000 -0.034 0.000 0.814 107 A HN 0.297 nan 8.150 nan 0.000 0.444 108 V N 0.057 119.892 119.914 -0.130 0.000 2.358 108 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 108 V C 2.369 178.405 176.094 -0.096 0.000 1.047 108 V CA 2.223 64.411 62.300 -0.187 0.000 1.035 108 V CB -0.917 30.687 31.823 -0.364 0.000 0.658 108 V HN 0.634 nan 8.190 nan 0.000 0.452 109 E N 0.188 120.334 120.200 -0.089 0.000 2.049 109 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 109 E C 2.185 178.761 176.600 -0.040 0.000 1.007 109 E CA 1.885 58.240 56.400 -0.075 0.000 0.809 109 E CB -0.305 29.362 29.700 -0.055 0.000 0.749 109 E HN 0.541 nan 8.360 nan 0.000 0.450 110 I N 1.077 121.648 120.570 0.002 0.000 2.151 110 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 110 I C 2.670 178.853 176.117 0.110 0.000 1.080 110 I CA 1.394 62.722 61.300 0.047 0.000 1.339 110 I CB -0.603 37.433 38.000 0.060 0.000 1.039 110 I HN 0.125 nan 8.210 nan 0.000 0.409 111 V N -1.787 118.234 119.914 0.179 0.000 2.548 111 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 111 V C 2.162 178.409 176.094 0.255 0.000 1.055 111 V CA 1.284 63.824 62.300 0.400 0.000 1.065 111 V CB -0.799 31.370 31.823 0.576 0.000 0.681 111 V HN 0.326 nan 8.190 nan 0.000 0.462 112 K N 1.033 121.347 120.400 -0.144 0.000 2.288 112 K HA 0.200 4.520 4.320 -0.000 0.000 0.201 112 K C 2.163 178.653 176.600 -0.183 0.000 1.048 112 K CA 1.138 57.103 56.287 -0.535 0.000 0.956 112 K CB -0.242 31.911 32.500 -0.578 0.000 0.746 112 K HN 0.603 nan 8.250 nan 0.000 0.461 113 A N 0.960 123.743 122.820 -0.062 0.000 2.169 113 A HA -0.002 4.318 4.320 -0.000 0.000 0.212 113 A C 1.108 178.683 177.584 -0.015 0.000 1.153 113 A CA 0.175 52.194 52.037 -0.031 0.000 0.756 113 A CB 0.050 19.040 19.000 -0.016 0.000 0.813 113 A HN 0.162 nan 8.150 nan 0.000 0.471 114 S N -0.400 115.304 115.700 0.006 0.000 2.549 114 S HA 0.413 4.883 4.470 -0.000 0.000 0.279 114 S C 1.348 175.880 174.600 -0.113 0.000 1.321 114 S CA 0.034 58.188 58.200 -0.076 0.000 1.054 114 S CB 1.072 64.172 63.200 -0.168 0.000 0.899 114 S HN 0.750 nan 8.310 nan 0.000 0.497 115 A N 3.878 126.607 122.820 -0.151 0.000 2.070 115 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 115 A C 1.649 179.119 177.584 -0.189 0.000 1.159 115 A CA 1.630 53.588 52.037 -0.131 0.000 0.656 115 A CB -0.461 18.467 19.000 -0.121 0.000 0.800 115 A HN 0.893 nan 8.150 nan 0.000 0.453 116 D N -1.497 118.660 120.400 -0.404 0.000 2.289 116 D HA 0.013 4.653 4.640 -0.000 0.000 0.207 116 D C 0.267 176.373 176.300 -0.323 0.000 0.966 116 D CA 0.099 53.776 54.000 -0.539 0.000 0.868 116 D CB -0.207 39.888 40.800 -1.175 0.000 0.943 116 D HN 0.423 nan 8.370 nan 0.000 0.514 117 F N 3.048 122.810 119.950 -0.313 0.000 2.546 117 F HA -0.012 4.514 4.527 -0.000 0.000 0.388 117 F C 0.598 176.437 175.800 0.065 0.000 1.051 117 F CA -0.217 57.839 58.000 0.093 0.000 1.130 117 F CB 0.298 39.400 39.000 0.171 0.000 1.044 117 F HN -0.440 nan 8.300 nan 0.000 0.553 118 K N 8.664 128.864 120.400 -0.335 0.000 2.174 118 K HA 0.287 4.607 4.320 -0.000 0.000 0.275 118 K C -2.414 174.085 176.600 -0.168 0.000 1.015 118 K CA -2.120 54.054 56.287 -0.187 0.000 0.933 118 K CB 0.368 32.764 32.500 -0.173 0.000 1.025 118 K HN 0.385 nan 8.250 nan 0.000 0.463 119 P HA -0.046 nan 4.420 nan 0.000 0.265 119 P C -0.550 176.779 177.300 0.049 0.000 1.187 119 P CA 0.450 63.621 63.100 0.119 0.000 0.766 119 P CB 0.272 32.025 31.700 0.087 0.000 0.820 120 N N -1.899 116.867 118.700 0.110 0.000 2.965 120 N HA -0.118 4.622 4.740 -0.000 0.000 0.232 120 N C -0.452 175.059 175.510 0.002 0.000 0.913 120 N CA 0.598 53.690 53.050 0.071 0.000 0.981 120 N CB -1.595 36.918 38.487 0.043 0.000 1.077 120 N HN 0.455 nan 8.380 nan 0.000 0.589 121 T N 1.376 115.859 114.554 -0.119 0.000 2.934 121 T HA 0.099 4.449 4.350 -0.000 0.000 0.306 121 T C 0.728 175.257 174.700 -0.285 0.000 1.042 121 T CA 0.435 62.340 62.100 -0.325 0.000 1.145 121 T CB 0.738 69.094 68.868 -0.853 0.000 0.982 121 T HN 0.124 nan 8.240 nan 0.000 0.544 122 R N 1.065 121.394 120.500 -0.286 0.000 2.782 122 R HA 0.544 4.884 4.340 -0.000 0.000 0.258 122 R C -0.925 175.108 176.300 -0.444 0.000 1.055 122 R CA -0.689 55.300 56.100 -0.184 0.000 1.065 122 R CB 0.951 31.326 30.300 0.125 0.000 1.172 122 R HN 0.475 nan 8.270 nan 0.000 0.510 123 F N 0.256 120.300 119.950 0.158 0.000 2.366 123 F HA 0.164 4.690 4.527 -0.000 0.000 0.366 123 F C 1.474 177.350 175.800 0.125 0.000 1.096 123 F CA -0.619 57.453 58.000 0.118 0.000 1.060 123 F CB 1.685 40.744 39.000 0.098 0.000 1.282 123 F HN 0.632 nan 8.300 nan 0.000 0.450 124 T N -1.664 113.006 114.554 0.193 0.000 2.867 124 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 124 T C 0.426 175.213 174.700 0.145 0.000 1.057 124 T CA 0.949 63.140 62.100 0.152 0.000 1.136 124 T CB 0.161 69.089 68.868 0.100 0.000 0.874 124 T HN 0.570 nan 8.240 nan 0.000 0.466 125 E N -0.443 119.851 120.200 0.158 0.000 2.388 125 E HA 0.459 4.809 4.350 -0.000 0.000 0.289 125 E C -1.952 174.721 176.600 0.123 0.000 0.944 125 E CA -0.653 55.818 56.400 0.118 0.000 0.792 125 E CB 1.653 31.394 29.700 0.068 0.000 1.239 125 E HN 0.382 nan 8.360 nan 0.000 0.412 126 I N 3.227 123.849 120.570 0.087 0.000 2.437 126 I HA 0.346 4.516 4.170 -0.000 0.000 0.279 126 I C -0.543 175.589 176.117 0.025 0.000 1.028 126 I CA -0.336 60.995 61.300 0.052 0.000 1.142 126 I CB 1.587 39.584 38.000 -0.004 0.000 1.266 126 I HN 0.268 nan 8.210 nan 0.000 0.461 127 S N 4.850 120.566 115.700 0.028 0.000 2.632 127 S HA 0.561 5.031 4.470 -0.000 0.000 0.289 127 S C -0.666 173.938 174.600 0.006 0.000 1.115 127 S CA -0.665 57.543 58.200 0.013 0.000 0.889 127 S CB 2.400 65.613 63.200 0.022 0.000 1.116 127 S HN 0.473 nan 8.310 nan 0.000 0.486 128 L N 2.391 123.610 121.223 -0.007 0.000 2.455 128 L HA 0.383 4.723 4.340 -0.000 0.000 0.272 128 L C -0.612 176.254 176.870 -0.006 0.000 1.174 128 L CA -0.149 54.683 54.840 -0.013 0.000 0.869 128 L CB 0.136 42.178 42.059 -0.029 0.000 1.130 128 L HN 0.543 nan 8.230 nan 0.000 0.474 129 L N 9.193 130.416 121.223 -0.001 0.000 2.315 129 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 129 L C -2.216 174.653 176.870 -0.001 0.000 1.088 129 L CA -2.309 52.535 54.840 0.006 0.000 0.899 129 L CB -0.075 41.992 42.059 0.015 0.000 1.277 129 L HN 0.542 nan 8.230 nan 0.000 0.431 130 P HA 0.187 nan 4.420 nan 0.000 0.267 130 P C -2.518 174.787 177.300 0.008 0.000 1.200 130 P CA -0.790 62.305 63.100 -0.009 0.000 0.772 130 P CB -0.166 31.531 31.700 -0.004 0.000 0.855 131 P HA 0.030 nan 4.420 nan 0.000 0.272 131 P C -0.070 177.250 177.300 0.033 0.000 1.254 131 P CA -0.019 63.083 63.100 0.003 0.000 0.795 131 P CB 0.200 31.886 31.700 -0.024 0.000 1.022 132 D N 0.332 120.754 120.400 0.036 0.000 2.368 132 D HA -0.032 4.608 4.640 -0.000 0.000 0.240 132 D C 0.953 177.265 176.300 0.021 0.000 1.169 132 D CA -0.253 53.777 54.000 0.050 0.000 0.906 132 D CB 0.848 41.677 40.800 0.049 0.000 1.187 132 D HN 0.312 nan 8.370 nan 0.000 0.435 133 K N 1.166 121.540 120.400 -0.043 0.000 2.059 133 K HA -0.306 4.014 4.320 -0.000 0.000 0.212 133 K C 1.915 178.391 176.600 -0.207 0.000 1.050 133 K CA 2.025 58.092 56.287 -0.366 0.000 0.927 133 K CB -0.124 31.958 32.500 -0.696 0.000 0.714 133 K HN 0.643 nan 8.250 nan 0.000 0.447 134 E N -0.243 119.923 120.200 -0.056 0.000 2.070 134 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 134 E C 1.784 178.443 176.600 0.098 0.000 1.004 134 E CA 1.321 57.751 56.400 0.050 0.000 0.805 134 E CB -0.216 29.507 29.700 0.039 0.000 0.744 134 E HN 0.464 nan 8.360 nan 0.000 0.451 135 A N 0.502 123.361 122.820 0.065 0.000 1.902 135 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 135 A C 2.435 180.083 177.584 0.106 0.000 1.181 135 A CA 1.523 53.607 52.037 0.079 0.000 0.623 135 A CB -0.706 18.322 19.000 0.046 0.000 0.818 135 A HN 0.235 nan 8.150 nan 0.000 0.443 136 V N -2.138 117.819 119.914 0.071 0.000 2.287 136 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 136 V C 2.252 178.442 176.094 0.161 0.000 1.053 136 V CA 1.910 64.240 62.300 0.049 0.000 1.027 136 V CB -1.112 30.756 31.823 0.075 0.000 0.646 136 V HN 0.785 nan 8.190 nan 0.000 0.447 137 W N -0.087 121.307 121.300 0.155 0.000 2.363 137 W HA -0.148 4.512 4.660 -0.000 0.000 0.296 137 W C 2.590 179.169 176.519 0.100 0.000 1.212 137 W CA 0.994 58.422 57.345 0.138 0.000 1.260 137 W CB -0.235 29.258 29.460 0.055 0.000 1.131 137 W HN 0.212 nan 8.180 nan 0.000 0.530 138 A N -0.528 122.487 122.820 0.325 0.000 1.972 138 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 138 A C 1.633 179.323 177.584 0.176 0.000 1.169 138 A CA 1.454 53.611 52.037 0.200 0.000 0.635 138 A CB -1.119 17.964 19.000 0.139 0.000 0.810 138 A HN 0.420 nan 8.150 nan 0.000 0.446 139 F N 0.866 120.843 119.950 0.044 0.000 2.128 139 F HA 0.041 4.568 4.527 -0.000 0.000 0.295 139 F C 2.448 178.246 175.800 -0.004 0.000 1.100 139 F CA 1.267 59.253 58.000 -0.024 0.000 1.260 139 F CB -0.398 38.524 39.000 -0.130 0.000 1.009 139 F HN 0.221 nan 8.300 nan 0.000 0.476 140 A N 0.321 123.293 122.820 0.253 0.000 1.969 140 A HA -0.054 4.265 4.320 -0.000 0.000 0.218 140 A C 2.159 179.844 177.584 0.168 0.000 1.169 140 A CA 1.799 53.968 52.037 0.220 0.000 0.635 140 A CB -0.904 18.315 19.000 0.365 0.000 0.810 140 A HN 0.519 nan 8.150 nan 0.000 0.445 141 L N -1.990 119.353 121.223 0.201 0.000 2.357 141 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 141 L C 1.603 178.493 176.870 0.034 0.000 1.075 141 L CA 0.701 55.620 54.840 0.130 0.000 0.830 141 L CB 0.009 42.153 42.059 0.142 0.000 0.996 141 L HN 0.343 nan 8.230 nan 0.000 0.467 142 E N -0.873 119.330 120.200 0.006 0.000 2.630 142 E HA 0.125 4.475 4.350 -0.000 0.000 0.218 142 E C -0.242 176.302 176.600 -0.093 0.000 0.977 142 E CA -0.188 56.195 56.400 -0.029 0.000 1.038 142 E CB 0.560 30.262 29.700 0.002 0.000 1.051 142 E HN 0.211 nan 8.360 nan 0.000 0.487 143 N N 1.847 120.418 118.700 -0.214 0.000 2.713 143 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 143 N C -0.118 175.268 175.510 -0.207 0.000 1.117 143 N CA 1.044 53.867 53.050 -0.380 0.000 0.770 143 N CB -0.911 37.416 38.487 -0.266 0.000 1.137 143 N HN 0.281 nan 8.380 nan 0.000 0.566 144 K N 2.191 122.551 120.400 -0.067 0.000 2.349 144 K HA 0.146 4.466 4.320 -0.000 0.000 0.288 144 K C -2.106 174.590 176.600 0.160 0.000 1.058 144 K CA -0.996 55.315 56.287 0.040 0.000 0.953 144 K CB 0.803 33.337 32.500 0.056 0.000 0.997 144 K HN -0.050 nan 8.250 nan 0.000 0.477 145 P HA -0.083 nan 4.420 nan 0.000 0.268 145 P C 0.926 178.307 177.300 0.135 0.000 1.205 145 P CA -0.147 63.076 63.100 0.205 0.000 0.771 145 P CB 0.909 32.683 31.700 0.124 0.000 0.858 146 V N -1.536 118.432 119.914 0.091 0.000 2.913 146 V HA -0.112 4.008 4.120 -0.000 0.000 0.260 146 V C 0.910 177.020 176.094 0.026 0.000 1.098 146 V CA 1.438 63.757 62.300 0.033 0.000 1.121 146 V CB -1.731 30.067 31.823 -0.041 0.000 0.714 146 V HN 0.607 nan 8.190 nan 0.000 0.487 147 D N 0.468 120.886 120.400 0.030 0.000 2.692 147 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 147 D C 0.189 176.497 176.300 0.014 0.000 1.172 147 D CA 1.078 55.092 54.000 0.024 0.000 0.636 147 D CB -0.930 39.888 40.800 0.029 0.000 1.028 147 D HN 0.825 nan 8.370 nan 0.000 0.419 148 Q N -0.640 119.162 119.800 0.003 0.000 2.451 148 Q HA 0.634 4.974 4.340 -0.000 0.000 0.281 148 Q C -2.414 173.582 176.000 -0.006 0.000 1.099 148 Q CA -1.577 54.226 55.803 -0.001 0.000 0.806 148 Q CB 1.936 30.671 28.738 -0.005 0.000 1.419 148 Q HN 0.080 nan 8.270 nan 0.000 0.427 149 P HA 0.307 nan 4.420 nan 0.000 0.288 149 P C -0.914 176.381 177.300 -0.008 0.000 1.267 149 P CA -0.733 62.365 63.100 -0.003 0.000 0.815 149 P CB 0.746 32.449 31.700 0.005 0.000 0.989 150 R N 2.633 123.126 120.500 -0.012 0.000 2.458 150 R HA 0.183 4.523 4.340 -0.000 0.000 0.303 150 R C 0.168 176.465 176.300 -0.006 0.000 1.013 150 R CA 0.429 56.519 56.100 -0.016 0.000 1.026 150 R CB 0.017 30.306 30.300 -0.018 0.000 0.948 150 R HN 0.505 nan 8.270 nan 0.000 0.417 151 K N 0.746 121.143 120.400 -0.004 0.000 2.340 151 K HA 0.700 5.020 4.320 -0.000 0.000 0.244 151 K C -1.004 175.599 176.600 0.006 0.000 0.973 151 K CA -0.658 55.633 56.287 0.006 0.000 0.828 151 K CB 2.327 34.834 32.500 0.012 0.000 1.226 151 K HN 0.644 nan 8.250 nan 0.000 0.437 152 A N 1.685 124.515 122.820 0.015 0.000 2.449 152 A HA 0.411 4.730 4.320 -0.000 0.000 0.302 152 A C -1.561 176.041 177.584 0.030 0.000 1.048 152 A CA -0.807 51.240 52.037 0.017 0.000 0.708 152 A CB 1.107 20.114 19.000 0.010 0.000 1.274 152 A HN 0.635 nan 8.150 nan 0.000 0.410 153 D N 1.514 121.933 120.400 0.031 0.000 2.280 153 D HA 0.435 5.075 4.640 -0.000 0.000 0.243 153 D C -0.725 175.607 176.300 0.053 0.000 1.129 153 D CA 0.257 54.281 54.000 0.040 0.000 0.848 153 D CB 1.694 42.520 40.800 0.044 0.000 1.107 153 D HN 0.148 nan 8.370 nan 0.000 0.471 154 V N 4.814 124.762 119.914 0.057 0.000 2.304 154 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 154 V C 0.404 176.535 176.094 0.062 0.000 1.018 154 V CA -0.679 61.681 62.300 0.099 0.000 0.814 154 V CB 0.881 32.787 31.823 0.139 0.000 1.021 154 V HN 0.365 nan 8.190 nan 0.000 0.440 155 I N 6.610 127.236 120.570 0.093 0.000 2.304 155 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 155 I C 0.188 176.329 176.117 0.039 0.000 1.018 155 I CA -0.098 61.231 61.300 0.048 0.000 1.260 155 I CB 1.113 39.171 38.000 0.096 0.000 1.390 155 I HN 0.559 nan 8.210 nan 0.000 0.475 156 M N 6.227 125.766 119.600 -0.101 0.000 2.664 156 M HA 0.586 5.066 4.480 -0.000 0.000 0.314 156 M C -1.168 175.020 176.300 -0.187 0.000 1.200 156 M CA -1.045 54.131 55.300 -0.207 0.000 0.916 156 M CB 2.591 34.957 32.600 -0.390 0.000 1.717 156 M HN 0.307 nan 8.290 nan 0.000 0.470 157 L N 2.335 123.442 121.223 -0.193 0.000 2.337 157 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 157 L C -0.938 175.847 176.870 -0.142 0.000 1.018 157 L CA 0.093 54.856 54.840 -0.128 0.000 0.876 157 L CB 0.584 42.605 42.059 -0.064 0.000 1.236 157 L HN 0.694 nan 8.230 nan 0.000 0.436 158 D N 4.088 124.416 120.400 -0.120 0.000 2.470 158 D HA 0.432 5.072 4.640 -0.000 0.000 0.226 158 D C 1.196 177.507 176.300 0.019 0.000 1.196 158 D CA 1.139 55.080 54.000 -0.097 0.000 0.979 158 D CB 0.238 40.980 40.800 -0.098 0.000 1.059 158 D HN 0.808 nan 8.370 nan 0.000 0.515 159 G N 4.868 113.661 108.800 -0.011 0.000 4.766 159 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.314 159 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.314 159 G C 0.888 175.777 174.900 -0.018 0.000 1.427 159 G CA 0.873 45.984 45.100 0.017 0.000 1.024 159 G HN 0.629 nan 8.290 nan 0.000 0.754 160 K N 0.603 120.977 120.400 -0.044 0.000 2.517 160 K HA 0.394 4.714 4.320 -0.000 0.000 0.210 160 K C 0.087 176.464 176.600 -0.370 0.000 1.166 160 K CA 0.060 56.218 56.287 -0.215 0.000 1.030 160 K CB 0.421 32.748 32.500 -0.289 0.000 0.974 160 K HN 0.592 nan 8.250 nan 0.000 0.585 161 H N 1.292 120.275 119.070 -0.145 0.000 2.527 161 H HA 0.302 4.858 4.556 -0.000 0.000 0.321 161 H C -0.380 174.838 175.328 -0.184 0.000 1.087 161 H CA -0.641 55.306 56.048 -0.168 0.000 1.337 161 H CB 1.079 30.762 29.762 -0.132 0.000 1.440 161 H HN 0.019 nan 8.280 nan 0.000 0.490 162 I N 4.591 125.077 120.570 -0.140 0.000 2.365 162 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 162 I C 0.016 176.022 176.117 -0.185 0.000 1.004 162 I CA -0.268 60.916 61.300 -0.193 0.000 1.311 162 I CB 0.477 38.265 38.000 -0.354 0.000 1.401 162 I HN 0.543 nan 8.210 nan 0.000 0.491 163 I N 5.828 126.269 120.570 -0.215 0.000 2.533 163 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 163 I C -0.194 175.728 176.117 -0.324 0.000 1.056 163 I CA -0.461 60.652 61.300 -0.313 0.000 1.057 163 I CB 2.086 39.781 38.000 -0.508 0.000 1.240 163 I HN 0.440 nan 8.210 nan 0.000 0.423 164 E N 5.117 125.159 120.200 -0.264 0.000 2.113 164 E HA 0.729 5.079 4.350 -0.000 0.000 0.273 164 E C -0.826 175.643 176.600 -0.218 0.000 0.924 164 E CA -0.680 55.622 56.400 -0.164 0.000 0.764 164 E CB 1.997 31.681 29.700 -0.027 0.000 1.104 164 E HN 0.654 nan 8.360 nan 0.000 0.406 165 A N 2.719 125.421 122.820 -0.197 0.000 2.354 165 A HA 0.704 5.024 4.320 -0.000 0.000 0.321 165 A C -0.808 176.779 177.584 0.005 0.000 1.125 165 A CA -0.632 51.339 52.037 -0.110 0.000 0.799 165 A CB 1.480 20.389 19.000 -0.152 0.000 1.293 165 A HN 0.393 nan 8.150 nan 0.000 0.452 166 V N 1.491 121.438 119.914 0.055 0.000 2.540 166 V HA 0.605 4.725 4.120 -0.000 0.000 0.302 166 V C -0.325 175.816 176.094 0.078 0.000 1.035 166 V CA -0.447 61.888 62.300 0.059 0.000 0.873 166 V CB 1.529 33.383 31.823 0.051 0.000 0.992 166 V HN 1.134 nan 8.190 nan 0.000 0.428 167 V N 0.593 120.546 119.914 0.065 0.000 2.680 167 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 167 V C -0.752 175.368 176.094 0.043 0.000 1.052 167 V CA -0.639 61.700 62.300 0.065 0.000 0.908 167 V CB 2.099 33.963 31.823 0.068 0.000 1.001 167 V HN 0.777 nan 8.190 nan 0.000 0.431 168 D N 3.333 123.757 120.400 0.041 0.000 2.467 168 D HA 0.393 5.033 4.640 -0.000 0.000 0.220 168 D C 0.986 177.298 176.300 0.020 0.000 1.103 168 D CA -0.209 53.808 54.000 0.027 0.000 0.886 168 D CB 1.201 42.018 40.800 0.028 0.000 1.025 168 D HN 0.634 nan 8.370 nan 0.000 0.514 169 L N 2.585 123.816 121.223 0.012 0.000 2.012 169 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 169 L C 2.490 179.362 176.870 0.003 0.000 1.073 169 L CA 1.186 56.029 54.840 0.005 0.000 0.748 169 L CB -0.345 41.712 42.059 -0.003 0.000 0.891 169 L HN 0.505 nan 8.230 nan 0.000 0.431 170 Q N 0.620 120.422 119.800 0.003 0.000 1.975 170 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 170 Q C 1.618 177.622 176.000 0.006 0.000 0.990 170 Q CA 1.899 57.705 55.803 0.003 0.000 0.845 170 Q CB -0.025 28.716 28.738 0.004 0.000 0.913 170 Q HN 0.495 nan 8.270 nan 0.000 0.420 171 N N 1.354 120.060 118.700 0.009 0.000 2.575 171 N HA -0.096 4.644 4.740 -0.000 0.000 0.192 171 N C -0.256 175.262 175.510 0.013 0.000 1.200 171 N CA 0.610 53.667 53.050 0.011 0.000 0.897 171 N CB -0.466 38.030 38.487 0.014 0.000 0.990 171 N HN 0.353 nan 8.380 nan 0.000 0.449 172 N N 1.287 119.994 118.700 0.012 0.000 2.689 172 N HA -0.231 4.509 4.740 -0.000 0.000 0.263 172 N C -0.967 174.556 175.510 0.022 0.000 0.987 172 N CA 0.843 53.901 53.050 0.014 0.000 0.782 172 N CB -0.804 37.687 38.487 0.007 0.000 0.903 172 N HN 0.524 nan 8.380 nan 0.000 0.547 173 K N -0.990 119.428 120.400 0.030 0.000 2.477 173 K HA 0.554 4.874 4.320 -0.000 0.000 0.255 173 K C -0.917 175.718 176.600 0.059 0.000 0.952 173 K CA -1.257 55.054 56.287 0.040 0.000 0.826 173 K CB 1.336 33.856 32.500 0.034 0.000 1.331 173 K HN 0.019 nan 8.250 nan 0.000 0.437 174 L N 3.863 125.134 121.223 0.079 0.000 2.369 174 L HA 0.174 4.514 4.340 -0.000 0.000 0.279 174 L C 0.230 177.163 176.870 0.104 0.000 1.108 174 L CA -0.031 54.879 54.840 0.117 0.000 0.852 174 L CB 0.184 42.339 42.059 0.161 0.000 1.169 174 L HN 0.867 nan 8.230 nan 0.000 0.452 175 L N 3.177 124.459 121.223 0.100 0.000 2.249 175 L HA 0.185 4.525 4.340 -0.000 0.000 0.207 175 L C 0.629 177.559 176.870 0.101 0.000 1.090 175 L CA 0.666 55.556 54.840 0.083 0.000 0.802 175 L CB -0.363 41.734 42.059 0.063 0.000 0.947 175 L HN 0.836 nan 8.230 nan 0.000 0.453 176 S N -2.446 113.335 115.700 0.134 0.000 2.552 176 S HA 0.342 4.812 4.470 -0.000 0.000 0.272 176 S C -1.942 172.801 174.600 0.238 0.000 1.150 176 S CA -0.783 57.512 58.200 0.159 0.000 0.849 176 S CB 1.882 65.144 63.200 0.103 0.000 1.113 176 S HN 0.210 nan 8.310 nan 0.000 0.458 177 W N 2.861 124.185 121.300 0.040 0.000 2.563 177 W HA 0.496 5.156 4.660 -0.000 0.000 0.301 177 W C -1.431 175.103 176.519 0.025 0.000 1.006 177 W CA -0.212 57.157 57.345 0.040 0.000 1.382 177 W CB 1.633 31.117 29.460 0.041 0.000 1.262 177 W HN 0.924 nan 8.180 nan 0.000 0.403 178 Q N 7.228 127.013 119.800 -0.026 0.000 2.357 178 Q HA 0.467 4.806 4.340 -0.000 0.000 0.266 178 Q C -2.574 173.383 176.000 -0.072 0.000 1.021 178 Q CA -2.108 53.700 55.803 0.009 0.000 0.784 178 Q CB 2.071 30.818 28.738 0.016 0.000 1.243 178 Q HN 0.068 nan 8.270 nan 0.000 0.465 179 P HA 0.130 nan 4.420 nan 0.000 0.271 179 P C -0.728 176.536 177.300 -0.060 0.000 1.216 179 P CA -0.118 62.960 63.100 -0.037 0.000 0.771 179 P CB 0.578 32.298 31.700 0.033 0.000 0.864 180 I N 3.140 123.639 120.570 -0.119 0.000 2.337 180 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 180 I C 0.854 176.870 176.117 -0.168 0.000 1.041 180 I CA -0.846 60.361 61.300 -0.155 0.000 1.199 180 I CB 0.221 38.053 38.000 -0.280 0.000 1.370 180 I HN 0.347 nan 8.210 nan 0.000 0.470 181 K N 6.188 126.528 120.400 -0.099 0.000 2.489 181 K HA -0.050 4.270 4.320 -0.000 0.000 0.278 181 K C 0.275 176.803 176.600 -0.120 0.000 1.000 181 K CA 0.495 56.730 56.287 -0.087 0.000 1.012 181 K CB 0.535 33.009 32.500 -0.044 0.000 0.903 181 K HN 0.550 nan 8.250 nan 0.000 0.485 182 D N -0.168 120.148 120.400 -0.139 0.000 2.880 182 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 182 D C -0.492 175.684 176.300 -0.207 0.000 1.059 182 D CA 1.664 55.574 54.000 -0.151 0.000 1.019 182 D CB -1.104 39.653 40.800 -0.071 0.000 1.112 182 D HN 0.664 nan 8.370 nan 0.000 0.424 183 A N 1.131 123.782 122.820 -0.281 0.000 2.409 183 A HA 0.340 4.659 4.320 -0.000 0.000 0.267 183 A C 0.211 177.571 177.584 -0.373 0.000 1.127 183 A CA 0.038 51.865 52.037 -0.351 0.000 0.795 183 A CB 0.346 18.905 19.000 -0.735 0.000 1.061 183 A HN 0.198 nan 8.150 nan 0.000 0.502 184 H N 1.506 120.464 119.070 -0.187 0.000 2.502 184 H HA 0.371 4.927 4.556 -0.000 0.000 0.327 184 H C 0.941 176.223 175.328 -0.077 0.000 1.099 184 H CA 0.610 56.575 56.048 -0.140 0.000 1.323 184 H CB 1.615 31.315 29.762 -0.103 0.000 1.450 184 H HN 0.847 nan 8.280 nan 0.000 0.502 185 G N 2.288 111.097 108.800 0.014 0.000 2.507 185 G HA2 0.335 4.295 3.960 -0.000 0.000 0.271 185 G HA3 0.335 4.295 3.960 -0.000 0.000 0.271 185 G C 0.644 175.565 174.900 0.036 0.000 1.189 185 G CA -0.726 44.398 45.100 0.041 0.000 0.859 185 G HN 0.654 nan 8.290 nan 0.000 0.542 186 M N 0.148 119.765 119.600 0.027 0.000 2.113 186 M HA 0.422 4.902 4.480 -0.000 0.000 0.288 186 M C -0.258 176.005 176.300 -0.060 0.000 1.225 186 M CA -0.391 54.882 55.300 -0.044 0.000 1.148 186 M CB 0.424 32.997 32.600 -0.045 0.000 1.388 186 M HN 0.104 nan 8.290 nan 0.000 0.469 187 V N 2.735 122.567 119.914 -0.136 0.000 2.470 187 V HA 0.237 4.357 4.120 -0.000 0.000 0.276 187 V C 0.392 176.541 176.094 0.093 0.000 1.040 187 V CA -0.235 62.029 62.300 -0.059 0.000 1.008 187 V CB 0.134 31.867 31.823 -0.150 0.000 0.990 187 V HN 0.631 nan 8.190 nan 0.000 0.477 188 L N 4.157 125.421 121.223 0.068 0.000 2.358 188 L HA 0.350 4.690 4.340 -0.000 0.000 0.268 188 L C 1.263 178.113 176.870 -0.034 0.000 1.032 188 L CA -0.739 54.090 54.840 -0.018 0.000 0.805 188 L CB 1.132 43.112 42.059 -0.132 0.000 1.253 188 L HN 0.514 nan 8.230 nan 0.000 0.452 189 L N 1.660 122.690 121.223 -0.321 0.000 1.997 189 L HA -0.274 4.066 4.340 -0.000 0.000 0.216 189 L C 2.186 178.949 176.870 -0.179 0.000 1.074 189 L CA 2.368 57.014 54.840 -0.324 0.000 0.763 189 L CB -0.644 41.230 42.059 -0.309 0.000 0.890 189 L HN 0.903 nan 8.230 nan 0.000 0.434 190 D N -1.826 118.305 120.400 -0.449 0.000 2.221 190 D HA -0.241 4.399 4.640 -0.000 0.000 0.204 190 D C 1.561 177.868 176.300 0.012 0.000 0.982 190 D CA 1.430 55.347 54.000 -0.138 0.000 0.857 190 D CB -0.866 39.877 40.800 -0.096 0.000 0.934 190 D HN 0.409 nan 8.370 nan 0.000 0.475 191 D N -0.092 120.330 120.400 0.036 0.000 2.221 191 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 191 D C 1.851 178.186 176.300 0.058 0.000 0.982 191 D CA 0.623 54.649 54.000 0.042 0.000 0.857 191 D CB -0.583 40.223 40.800 0.010 0.000 0.934 191 D HN 0.363 nan 8.370 nan 0.000 0.475 192 F N 1.110 121.035 119.950 -0.041 0.000 2.186 192 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 192 F C 2.527 178.304 175.800 -0.037 0.000 1.090 192 F CA 0.834 58.823 58.000 -0.018 0.000 1.307 192 F CB -0.146 38.855 39.000 0.002 0.000 1.019 192 F HN -0.064 nan 8.300 nan 0.000 0.489 193 A N -0.403 122.514 122.820 0.161 0.000 1.872 193 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 193 A C 2.304 179.899 177.584 0.018 0.000 1.187 193 A CA 1.714 53.793 52.037 0.070 0.000 0.614 193 A CB -1.043 17.994 19.000 0.062 0.000 0.826 193 A HN 0.269 nan 8.150 nan 0.000 0.442 194 S N -0.040 115.667 115.700 0.012 0.000 2.368 194 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 194 S C 1.903 176.470 174.600 -0.056 0.000 1.044 194 S CA 1.653 59.842 58.200 -0.020 0.000 1.062 194 S CB -0.765 62.422 63.200 -0.022 0.000 0.931 194 S HN 0.337 nan 8.310 nan 0.000 0.440 195 V N 1.793 121.662 119.914 -0.075 0.000 2.282 195 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 195 V C 2.669 178.675 176.094 -0.147 0.000 1.057 195 V CA 2.299 64.524 62.300 -0.125 0.000 1.032 195 V CB -0.795 30.938 31.823 -0.150 0.000 0.645 195 V HN 0.403 nan 8.190 nan 0.000 0.447 196 Q N 0.539 120.275 119.800 -0.107 0.000 2.084 196 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 196 Q C 1.895 177.829 176.000 -0.111 0.000 0.978 196 Q CA 2.321 58.054 55.803 -0.117 0.000 0.844 196 Q CB -0.558 28.137 28.738 -0.072 0.000 0.898 196 Q HN 0.789 nan 8.270 nan 0.000 0.426 197 N N -0.719 117.935 118.700 -0.075 0.000 2.106 197 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 197 N C 1.755 177.219 175.510 -0.077 0.000 1.029 197 N CA 1.320 54.334 53.050 -0.060 0.000 0.848 197 N CB -0.128 38.340 38.487 -0.033 0.000 1.007 197 N HN 0.245 nan 8.380 nan 0.000 0.423 198 I N 0.640 121.153 120.570 -0.094 0.000 2.226 198 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 198 I C 1.821 177.846 176.117 -0.153 0.000 1.100 198 I CA 0.939 62.177 61.300 -0.103 0.000 1.374 198 I CB -0.142 37.795 38.000 -0.104 0.000 1.057 198 I HN 0.095 nan 8.210 nan 0.000 0.413 199 I N 1.016 121.435 120.570 -0.252 0.000 2.286 199 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 199 I C 2.054 178.031 176.117 -0.234 0.000 1.115 199 I CA 1.689 62.729 61.300 -0.434 0.000 1.392 199 I CB -0.739 36.816 38.000 -0.742 0.000 1.065 199 I HN 0.216 nan 8.210 nan 0.000 0.418 200 N N 0.162 118.778 118.700 -0.141 0.000 2.223 200 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 200 N C 1.011 176.509 175.510 -0.020 0.000 1.016 200 N CA 1.016 54.032 53.050 -0.056 0.000 0.863 200 N CB -0.201 38.256 38.487 -0.049 0.000 0.983 200 N HN 0.521 nan 8.380 nan 0.000 0.429 201 N N -0.308 118.373 118.700 -0.031 0.000 2.280 201 N HA 0.011 4.751 4.740 -0.000 0.000 0.192 201 N C -0.416 175.096 175.510 0.004 0.000 1.109 201 N CA -0.203 52.840 53.050 -0.011 0.000 0.855 201 N CB 0.574 39.050 38.487 -0.017 0.000 0.974 201 N HN -0.071 nan 8.380 nan 0.000 0.482 202 S N 1.085 116.794 115.700 0.014 0.000 2.411 202 S HA 0.106 4.576 4.470 -0.000 0.000 0.294 202 S C 1.065 175.718 174.600 0.088 0.000 1.115 202 S CA -0.654 57.576 58.200 0.051 0.000 1.071 202 S CB 0.765 64.005 63.200 0.067 0.000 0.967 202 S HN 0.150 nan 8.310 nan 0.000 0.488 203 E N 3.748 123.982 120.200 0.057 0.000 2.072 203 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 203 E C 1.525 178.157 176.600 0.053 0.000 0.985 203 E CA 1.001 57.430 56.400 0.048 0.000 0.801 203 E CB -0.054 29.662 29.700 0.026 0.000 0.750 203 E HN 0.760 nan 8.360 nan 0.000 0.452 204 E N 0.581 120.815 120.200 0.057 0.000 2.033 204 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 204 E C 1.963 178.592 176.600 0.050 0.000 1.011 204 E CA 1.184 57.611 56.400 0.045 0.000 0.815 204 E CB -0.313 29.417 29.700 0.051 0.000 0.755 204 E HN 0.184 nan 8.360 nan 0.000 0.451 205 F N 1.320 121.256 119.950 -0.024 0.000 2.126 205 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 205 F C 2.303 178.088 175.800 -0.025 0.000 1.096 205 F CA 1.543 59.526 58.000 -0.028 0.000 1.255 205 F CB -0.266 38.714 39.000 -0.034 0.000 0.997 205 F HN -0.046 nan 8.300 nan 0.000 0.479 206 A N 0.030 122.941 122.820 0.152 0.000 1.972 206 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 206 A C 2.344 179.903 177.584 -0.042 0.000 1.169 206 A CA 1.660 53.736 52.037 0.066 0.000 0.635 206 A CB -1.416 17.633 19.000 0.082 0.000 0.810 206 A HN 0.495 nan 8.150 nan 0.000 0.446 207 A N -0.193 122.598 122.820 -0.049 0.000 1.872 207 A HA 0.260 4.579 4.320 -0.000 0.000 0.214 207 A C 2.505 180.020 177.584 -0.116 0.000 1.187 207 A CA 1.761 53.760 52.037 -0.063 0.000 0.614 207 A CB -1.011 17.966 19.000 -0.038 0.000 0.826 207 A HN 1.003 nan 8.150 nan 0.000 0.442 208 A N -0.529 122.177 122.820 -0.189 0.000 1.902 208 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 208 A C 2.213 179.631 177.584 -0.276 0.000 1.181 208 A CA 1.799 53.690 52.037 -0.243 0.000 0.623 208 A CB -0.961 17.836 19.000 -0.338 0.000 0.818 208 A HN 0.380 nan 8.150 nan 0.000 0.443 209 V N 0.032 119.725 119.914 -0.370 0.000 2.407 209 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 209 V C 2.564 178.579 176.094 -0.131 0.000 1.055 209 V CA 2.487 64.624 62.300 -0.272 0.000 1.049 209 V CB -0.581 31.103 31.823 -0.232 0.000 0.662 209 V HN 0.680 nan 8.190 nan 0.000 0.455 210 K N 0.462 120.800 120.400 -0.103 0.000 2.063 210 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 210 K C 2.146 178.714 176.600 -0.054 0.000 1.048 210 K CA 1.456 57.707 56.287 -0.059 0.000 0.928 210 K CB -0.196 32.276 32.500 -0.046 0.000 0.713 210 K HN 0.317 nan 8.250 nan 0.000 0.442 211 K N 0.492 120.852 120.400 -0.067 0.000 2.020 211 K HA -0.168 4.152 4.320 -0.000 0.000 0.212 211 K C 1.860 178.434 176.600 -0.043 0.000 1.050 211 K CA 1.665 57.920 56.287 -0.052 0.000 0.929 211 K CB -0.379 32.084 32.500 -0.061 0.000 0.714 211 K HN 0.229 nan 8.250 nan 0.000 0.443 212 R N 0.351 120.817 120.500 -0.056 0.000 2.362 212 R HA -0.022 4.318 4.340 -0.000 0.000 0.204 212 R C 0.946 177.234 176.300 -0.020 0.000 1.088 212 R CA 0.485 56.562 56.100 -0.039 0.000 1.121 212 R CB -0.482 29.784 30.300 -0.056 0.000 0.954 212 R HN 0.550 nan 8.270 nan 0.000 0.478 213 G N 0.940 109.729 108.800 -0.019 0.000 2.159 213 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 213 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 213 G C 0.207 175.105 174.900 -0.004 0.000 0.977 213 G CA -0.299 44.797 45.100 -0.007 0.000 0.652 213 G HN 0.331 nan 8.290 nan 0.000 0.531 214 I N 1.968 122.531 120.570 -0.013 0.000 2.363 214 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 214 I C 1.896 178.010 176.117 -0.006 0.000 1.075 214 I CA 0.003 61.299 61.300 -0.006 0.000 1.333 214 I CB 0.945 38.940 38.000 -0.009 0.000 1.415 214 I HN 0.057 nan 8.210 nan 0.000 0.502 215 T N 3.309 117.862 114.554 -0.001 0.000 2.643 215 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 215 T C 0.800 175.501 174.700 0.001 0.000 1.045 215 T CA 1.243 63.342 62.100 -0.001 0.000 1.155 215 T CB -0.043 68.825 68.868 -0.000 0.000 0.863 215 T HN 0.544 nan 8.240 nan 0.000 0.420 216 D N 0.836 121.238 120.400 0.004 0.000 2.473 216 D HA 0.452 5.092 4.640 -0.000 0.000 0.226 216 D C 0.518 176.827 176.300 0.015 0.000 1.089 216 D CA -0.221 53.783 54.000 0.007 0.000 0.883 216 D CB 1.264 42.066 40.800 0.003 0.000 1.029 216 D HN 0.218 nan 8.370 nan 0.000 0.517 217 A N 3.814 126.647 122.820 0.022 0.000 2.259 217 A HA -0.130 4.190 4.320 -0.000 0.000 0.212 217 A C 1.752 179.361 177.584 0.042 0.000 1.178 217 A CA 0.963 53.026 52.037 0.044 0.000 0.734 217 A CB -0.023 19.013 19.000 0.060 0.000 0.774 217 A HN 0.466 nan 8.150 nan 0.000 0.481 218 K N -0.483 119.930 120.400 0.021 0.000 2.361 218 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 218 K C 1.275 177.874 176.600 -0.002 0.000 1.039 218 K CA 0.680 56.971 56.287 0.008 0.000 1.001 218 K CB 0.136 32.638 32.500 0.003 0.000 0.795 218 K HN 0.389 nan 8.250 nan 0.000 0.495 219 K N 0.615 121.017 120.400 0.003 0.000 2.444 219 K HA 0.087 4.407 4.320 -0.000 0.000 0.193 219 K C -0.163 176.438 176.600 0.000 0.000 1.024 219 K CA 0.034 56.320 56.287 -0.003 0.000 1.077 219 K CB 0.632 33.132 32.500 0.000 0.000 0.833 219 K HN -0.130 nan 8.250 nan 0.000 0.517 220 V N 3.444 123.366 119.914 0.014 0.000 2.439 220 V HA 0.029 4.149 4.120 -0.000 0.000 0.271 220 V C 0.081 176.153 176.094 -0.037 0.000 1.040 220 V CA -0.003 62.314 62.300 0.028 0.000 1.002 220 V CB 0.392 32.276 31.823 0.102 0.000 1.000 220 V HN 0.144 nan 8.190 nan 0.000 0.477 221 I N 5.367 125.890 120.570 -0.078 0.000 2.321 221 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 221 I C 0.675 176.695 176.117 -0.161 0.000 0.998 221 I CA -0.022 61.136 61.300 -0.236 0.000 1.227 221 I CB 1.536 39.179 38.000 -0.596 0.000 1.368 221 I HN 0.699 nan 8.210 nan 0.000 0.466 222 T N 2.006 116.457 114.554 -0.172 0.000 2.934 222 T HA 0.738 5.088 4.350 -0.000 0.000 0.283 222 T C 0.083 174.735 174.700 -0.079 0.000 1.005 222 T CA -0.596 61.434 62.100 -0.117 0.000 1.041 222 T CB 1.775 70.546 68.868 -0.163 0.000 1.042 222 T HN 0.675 nan 8.240 nan 0.000 0.505 223 T N -0.177 114.368 114.554 -0.015 0.000 2.881 223 T HA 0.577 4.927 4.350 -0.000 0.000 0.291 223 T C -3.170 171.505 174.700 -0.041 0.000 0.990 223 T CA -1.805 60.316 62.100 0.035 0.000 0.976 223 T CB 1.834 70.835 68.868 0.222 0.000 0.970 223 T HN 0.585 nan 8.240 nan 0.000 0.438 224 P HA 0.441 nan 4.420 nan 0.000 0.291 224 P C -0.895 176.395 177.300 -0.016 0.000 1.340 224 P CA -0.567 62.405 63.100 -0.213 0.000 0.799 224 P CB 0.796 32.173 31.700 -0.537 0.000 0.917 225 L N 3.373 124.653 121.223 0.095 0.000 2.346 225 L HA 0.442 4.782 4.340 -0.000 0.000 0.276 225 L C 1.127 178.122 176.870 0.208 0.000 1.006 225 L CA -0.847 54.185 54.840 0.320 0.000 0.817 225 L CB 1.801 44.157 42.059 0.494 0.000 1.272 225 L HN 0.296 nan 8.230 nan 0.000 0.421 226 T N -1.330 113.389 114.554 0.275 0.000 2.932 226 T HA 0.122 4.472 4.350 -0.000 0.000 0.312 226 T C 1.066 175.820 174.700 0.091 0.000 1.071 226 T CA -0.501 61.658 62.100 0.098 0.000 1.128 226 T CB 1.329 70.242 68.868 0.075 0.000 0.984 226 T HN 0.523 nan 8.240 nan 0.000 0.549 227 V N -0.465 119.433 119.914 -0.028 0.000 3.650 227 V HA 0.512 4.632 4.120 -0.000 0.000 0.271 227 V C 1.347 177.497 176.094 0.094 0.000 1.281 227 V CA 0.534 62.800 62.300 -0.056 0.000 1.120 227 V CB -1.651 30.072 31.823 -0.167 0.000 0.856 227 V HN 1.610 nan 8.190 nan 0.000 0.443 228 G N 0.414 109.238 108.800 0.041 0.000 2.569 228 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.259 228 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.259 228 G C -0.585 174.305 174.900 -0.017 0.000 1.263 228 G CA 0.524 45.625 45.100 0.002 0.000 0.928 228 G HN 1.492 nan 8.290 nan 0.000 0.572 229 Y N -1.032 119.035 120.300 -0.388 0.000 2.441 229 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 229 Y C -0.608 174.741 175.900 -0.918 0.000 1.061 229 Y CA -1.097 56.718 58.100 -0.475 0.000 1.032 229 Y CB 1.314 39.521 38.460 -0.422 0.000 1.266 229 Y HN 0.498 nan 8.280 nan 0.000 0.441 230 F N 4.269 123.582 119.950 -1.060 0.000 2.810 230 F HA 0.219 4.746 4.527 -0.000 0.000 0.353 230 F C 0.531 175.599 175.800 -1.220 0.000 1.227 230 F CA -0.640 56.772 58.000 -0.981 0.000 1.210 230 F CB 0.392 39.219 39.000 -0.289 0.000 1.039 230 F HN 0.674 nan 8.300 nan 0.000 0.509 231 D N 1.026 120.181 120.400 -2.075 0.000 2.860 231 D HA -0.223 4.417 4.640 -0.000 0.000 0.229 231 D C 1.450 177.492 176.300 -0.431 0.000 1.169 231 D CA 1.706 55.056 54.000 -1.083 0.000 0.737 231 D CB -0.819 39.699 40.800 -0.470 0.000 1.080 231 D HN 0.774 nan 8.370 nan 0.000 0.424 232 G N -1.124 107.438 108.800 -0.395 0.000 2.194 232 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.236 232 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.236 232 G C 1.178 176.019 174.900 -0.097 0.000 0.987 232 G CA 0.503 45.509 45.100 -0.158 0.000 0.635 232 G HN 0.382 nan 8.290 nan 0.000 0.520 233 K N 1.071 121.419 120.400 -0.087 0.000 2.209 233 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 233 K C 1.904 178.435 176.600 -0.116 0.000 1.048 233 K CA 1.666 57.912 56.287 -0.068 0.000 0.940 233 K CB -0.235 32.251 32.500 -0.023 0.000 0.729 233 K HN 0.727 nan 8.250 nan 0.000 0.451 234 D N -0.721 119.632 120.400 -0.078 0.000 2.340 234 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 234 D C 1.031 177.316 176.300 -0.025 0.000 1.039 234 D CA 0.692 54.663 54.000 -0.047 0.000 0.866 234 D CB -0.180 40.663 40.800 0.071 0.000 0.913 234 D HN 0.184 nan 8.370 nan 0.000 0.523 235 G N 0.308 109.085 108.800 -0.038 0.000 2.160 235 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 235 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 235 G C -0.136 174.748 174.900 -0.026 0.000 1.008 235 G CA 0.366 45.447 45.100 -0.032 0.000 0.724 235 G HN 0.420 nan 8.290 nan 0.000 0.514 236 L N 0.259 121.468 121.223 -0.023 0.000 2.322 236 L HA 0.503 4.842 4.340 -0.000 0.000 0.281 236 L C 0.833 177.699 176.870 -0.007 0.000 1.014 236 L CA -1.249 53.579 54.840 -0.020 0.000 0.815 236 L CB 1.643 43.686 42.059 -0.026 0.000 1.247 236 L HN 0.312 nan 8.230 nan 0.000 0.421 237 K N 1.321 121.721 120.400 -0.001 0.000 2.350 237 K HA 0.116 4.436 4.320 -0.000 0.000 0.279 237 K C 0.380 177.004 176.600 0.040 0.000 1.027 237 K CA -0.535 55.761 56.287 0.016 0.000 0.969 237 K CB 1.284 33.790 32.500 0.010 0.000 0.954 237 K HN 0.384 nan 8.250 nan 0.000 0.474 238 Q N 1.995 121.836 119.800 0.067 0.000 2.291 238 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 238 Q C 0.304 176.394 176.000 0.151 0.000 0.970 238 Q CA 1.978 57.847 55.803 0.109 0.000 0.876 238 Q CB -0.021 28.782 28.738 0.109 0.000 0.935 238 Q HN 0.858 nan 8.270 nan 0.000 0.455 239 D N 0.116 120.556 120.400 0.068 0.000 2.123 239 D HA 0.008 4.648 4.640 -0.000 0.000 0.200 239 D C 0.219 176.523 176.300 0.006 0.000 0.976 239 D CA 1.099 55.104 54.000 0.008 0.000 0.831 239 D CB -0.435 40.357 40.800 -0.013 0.000 0.974 239 D HN 0.317 nan 8.370 nan 0.000 0.469 240 A N 0.751 123.596 122.820 0.042 0.000 2.477 240 A HA 0.142 4.462 4.320 -0.000 0.000 0.246 240 A C 0.407 178.047 177.584 0.095 0.000 1.078 240 A CA -0.289 51.765 52.037 0.029 0.000 0.770 240 A CB 0.052 19.055 19.000 0.006 0.000 1.011 240 A HN 0.121 nan 8.150 nan 0.000 0.494 241 R N 3.209 123.730 120.500 0.034 0.000 2.309 241 R HA 0.394 4.734 4.340 -0.000 0.000 0.331 241 R C -0.997 175.302 176.300 -0.002 0.000 1.116 241 R CA 0.039 56.174 56.100 0.060 0.000 0.970 241 R CB -0.365 29.929 30.300 -0.011 0.000 1.024 241 R HN 0.710 nan 8.270 nan 0.000 0.472 242 L N 4.732 125.939 121.223 -0.027 0.000 2.304 242 L HA 0.674 5.014 4.340 -0.000 0.000 0.268 242 L C -0.419 176.390 176.870 -0.101 0.000 1.010 242 L CA -1.288 53.508 54.840 -0.073 0.000 0.813 242 L CB 1.668 43.675 42.059 -0.086 0.000 1.315 242 L HN 0.490 nan 8.230 nan 0.000 0.445 243 L N 0.829 121.980 121.223 -0.120 0.000 2.565 243 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 243 L C -1.030 175.738 176.870 -0.170 0.000 0.932 243 L CA -0.647 54.113 54.840 -0.133 0.000 0.878 243 L CB 2.633 44.617 42.059 -0.125 0.000 1.333 243 L HN 0.535 nan 8.230 nan 0.000 0.409 244 K N 1.605 121.876 120.400 -0.215 0.000 2.110 244 K HA 0.691 5.011 4.320 -0.000 0.000 0.263 244 K C -1.057 175.456 176.600 -0.145 0.000 0.975 244 K CA -0.681 55.431 56.287 -0.291 0.000 0.895 244 K CB 2.398 34.463 32.500 -0.724 0.000 1.060 244 K HN 0.210 nan 8.250 nan 0.000 0.448 245 V N 4.519 124.359 119.914 -0.122 0.000 2.378 245 V HA 0.306 4.426 4.120 -0.000 0.000 0.288 245 V C -0.349 175.728 176.094 -0.029 0.000 1.016 245 V CA -0.891 61.363 62.300 -0.077 0.000 0.840 245 V CB 1.221 32.960 31.823 -0.140 0.000 0.994 245 V HN 0.608 nan 8.190 nan 0.000 0.431 246 I N 3.535 124.091 120.570 -0.024 0.000 2.392 246 I HA 0.541 4.711 4.170 -0.000 0.000 0.295 246 I C 0.434 176.429 176.117 -0.204 0.000 0.985 246 I CA 0.252 61.484 61.300 -0.113 0.000 1.221 246 I CB 2.000 39.913 38.000 -0.145 0.000 1.366 246 I HN 0.585 nan 8.210 nan 0.000 0.467 247 S N 5.513 121.029 115.700 -0.307 0.000 2.607 247 S HA 0.775 5.245 4.470 -0.000 0.000 0.303 247 S C -1.147 173.112 174.600 -0.569 0.000 1.086 247 S CA -0.493 57.542 58.200 -0.274 0.000 0.995 247 S CB 1.940 65.159 63.200 0.031 0.000 1.084 247 S HN 0.355 nan 8.310 nan 0.000 0.507 248 Y N 0.247 120.563 120.300 0.027 0.000 2.581 248 Y HA 0.621 5.171 4.550 -0.000 0.000 0.345 248 Y C -0.756 175.189 175.900 0.075 0.000 1.036 248 Y CA -1.112 57.043 58.100 0.092 0.000 1.042 248 Y CB 1.047 39.599 38.460 0.153 0.000 1.289 248 Y HN 0.447 nan 8.280 nan 0.000 0.471 249 L N 2.662 124.069 121.223 0.306 0.000 2.265 249 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 249 L C -0.594 176.367 176.870 0.150 0.000 1.033 249 L CA -0.461 54.482 54.840 0.171 0.000 0.814 249 L CB 0.574 42.703 42.059 0.116 0.000 1.203 249 L HN 0.580 nan 8.230 nan 0.000 0.423 250 D N 3.515 123.963 120.400 0.080 0.000 2.342 250 D HA 0.061 4.701 4.640 -0.000 0.000 0.260 250 D C 0.778 177.061 176.300 -0.028 0.000 1.278 250 D CA 0.092 54.128 54.000 0.060 0.000 0.910 250 D CB 1.001 41.816 40.800 0.024 0.000 1.079 250 D HN 0.392 nan 8.370 nan 0.000 0.496 251 V N 1.635 121.479 119.914 -0.116 0.000 3.444 251 V HA 0.441 4.561 4.120 -0.000 0.000 0.308 251 V C 1.277 177.327 176.094 -0.074 0.000 1.371 251 V CA 0.308 62.511 62.300 -0.160 0.000 1.141 251 V CB -0.153 31.457 31.823 -0.356 0.000 1.037 251 V HN 0.683 nan 8.190 nan 0.000 0.433 252 G N 2.135 110.921 108.800 -0.023 0.000 2.143 252 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.249 252 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.249 252 G C 0.227 175.123 174.900 -0.006 0.000 0.981 252 G CA 0.545 45.639 45.100 -0.010 0.000 0.665 252 G HN 0.854 nan 8.290 nan 0.000 0.528 253 D N -0.507 119.906 120.400 0.021 0.000 2.349 253 D HA 0.386 5.026 4.640 -0.000 0.000 0.214 253 D C 1.827 178.087 176.300 -0.065 0.000 1.063 253 D CA 0.547 54.552 54.000 0.008 0.000 0.847 253 D CB -0.502 40.353 40.800 0.091 0.000 0.933 253 D HN 1.508 nan 8.370 nan 0.000 0.513 254 G N 0.683 109.457 108.800 -0.043 0.000 2.168 254 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 254 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 254 G C 0.189 175.025 174.900 -0.106 0.000 0.977 254 G CA 0.266 45.299 45.100 -0.111 0.000 0.659 254 G HN 0.606 nan 8.290 nan 0.000 0.533 255 N N -0.218 118.495 118.700 0.021 0.000 2.752 255 N HA 0.403 5.143 4.740 -0.000 0.000 0.260 255 N C 0.943 176.495 175.510 0.070 0.000 1.562 255 N CA -0.460 52.648 53.050 0.098 0.000 0.788 255 N CB -0.080 38.498 38.487 0.152 0.000 1.192 255 N HN 0.371 nan 8.380 nan 0.000 0.503 256 Y N -0.590 119.714 120.300 0.006 0.000 2.483 256 Y HA 0.054 4.604 4.550 -0.000 0.000 0.291 256 Y C 0.907 176.675 175.900 -0.220 0.000 1.143 256 Y CA 0.415 58.498 58.100 -0.027 0.000 1.289 256 Y CB -0.621 37.717 38.460 -0.202 0.000 0.983 256 Y HN 0.319 nan 8.280 nan 0.000 0.556 257 W N 1.032 122.028 121.300 -0.505 0.000 2.421 257 W HA 0.058 4.718 4.660 -0.000 0.000 0.270 257 W C 2.322 178.848 176.519 0.011 0.000 1.233 257 W CA 1.169 58.231 57.345 -0.471 0.000 1.226 257 W CB -0.277 28.919 29.460 -0.440 0.000 1.121 257 W HN 0.166 nan 8.180 nan 0.000 0.579 258 A N -0.610 122.273 122.820 0.105 0.000 2.238 258 A HA 0.006 4.326 4.320 -0.000 0.000 0.208 258 A C 0.277 177.687 177.584 -0.290 0.000 1.177 258 A CA 0.554 52.639 52.037 0.079 0.000 0.804 258 A CB -0.675 18.215 19.000 -0.183 0.000 0.823 258 A HN 0.326 nan 8.150 nan 0.000 0.482 259 H N 0.168 119.484 119.070 0.410 0.000 2.439 259 H HA 0.234 4.790 4.556 -0.000 0.000 0.230 259 H C -2.997 172.568 175.328 0.395 0.000 1.420 259 H CA -2.024 54.229 56.048 0.341 0.000 1.305 259 H CB -0.093 29.823 29.762 0.258 0.000 1.667 259 H HN 0.341 nan 8.280 nan 0.000 0.515 260 P HA 0.127 nan 4.420 nan 0.000 0.272 260 P C 0.300 177.671 177.300 0.118 0.000 1.223 260 P CA -0.185 63.080 63.100 0.276 0.000 0.784 260 P CB 1.713 33.587 31.700 0.291 0.000 0.923 261 I N 1.436 121.985 120.570 -0.035 0.000 2.479 261 I HA 0.201 4.370 4.170 -0.000 0.000 0.279 261 I C 0.836 176.932 176.117 -0.034 0.000 1.102 261 I CA -0.662 60.627 61.300 -0.019 0.000 1.196 261 I CB 0.275 38.251 38.000 -0.040 0.000 1.427 261 I HN 0.258 nan 8.210 nan 0.000 0.503 262 E N 4.114 124.331 120.200 0.028 0.000 2.413 262 E HA 0.025 4.375 4.350 -0.000 0.000 0.263 262 E C 0.376 177.001 176.600 0.042 0.000 1.015 262 E CA 0.780 57.217 56.400 0.062 0.000 0.916 262 E CB 0.197 29.969 29.700 0.119 0.000 0.947 262 E HN 0.527 nan 8.360 nan 0.000 0.440 263 N N 0.611 119.347 118.700 0.059 0.000 2.782 263 N HA -0.253 4.487 4.740 -0.000 0.000 0.251 263 N C -1.066 174.453 175.510 0.015 0.000 1.101 263 N CA 0.281 53.363 53.050 0.054 0.000 0.764 263 N CB -0.878 37.643 38.487 0.057 0.000 1.122 263 N HN 0.191 nan 8.380 nan 0.000 0.561 264 L N 1.118 122.334 121.223 -0.011 0.000 2.353 264 L HA 0.580 4.920 4.340 -0.000 0.000 0.270 264 L C -0.947 175.930 176.870 0.011 0.000 1.003 264 L CA -0.820 54.001 54.840 -0.032 0.000 0.862 264 L CB 1.541 43.543 42.059 -0.095 0.000 1.221 264 L HN -0.102 nan 8.230 nan 0.000 0.430 265 V N 4.152 124.086 119.914 0.034 0.000 2.540 265 V HA 0.902 5.021 4.120 -0.000 0.000 0.302 265 V C 0.102 176.228 176.094 0.054 0.000 1.035 265 V CA -0.442 61.883 62.300 0.043 0.000 0.873 265 V CB 1.461 33.304 31.823 0.033 0.000 0.992 265 V HN 0.879 nan 8.190 nan 0.000 0.428 266 A N 4.150 127.006 122.820 0.061 0.000 2.342 266 A HA 0.866 5.186 4.320 -0.000 0.000 0.323 266 A C -0.819 176.724 177.584 -0.069 0.000 1.125 266 A CA -0.586 51.480 52.037 0.049 0.000 0.785 266 A CB 1.659 20.732 19.000 0.121 0.000 1.221 266 A HN 0.681 nan 8.150 nan 0.000 0.463 267 V N 3.092 122.962 119.914 -0.073 0.000 2.347 267 V HA 0.391 4.511 4.120 -0.000 0.000 0.280 267 V C -0.231 175.807 176.094 -0.093 0.000 1.021 267 V CA -0.426 61.806 62.300 -0.114 0.000 0.847 267 V CB 1.170 32.928 31.823 -0.108 0.000 0.990 267 V HN 0.622 nan 8.190 nan 0.000 0.444 268 V N 3.835 123.683 119.914 -0.110 0.000 2.435 268 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 268 V C -0.206 175.840 176.094 -0.082 0.000 1.030 268 V CA -0.534 61.709 62.300 -0.096 0.000 0.881 268 V CB 2.009 33.762 31.823 -0.116 0.000 0.983 268 V HN 0.882 nan 8.190 nan 0.000 0.445 269 D N 4.238 124.600 120.400 -0.063 0.000 2.428 269 D HA 0.262 4.902 4.640 -0.000 0.000 0.221 269 D C 1.012 177.284 176.300 -0.046 0.000 1.123 269 D CA -0.226 53.745 54.000 -0.049 0.000 0.869 269 D CB 1.343 42.121 40.800 -0.037 0.000 1.032 269 D HN 0.450 nan 8.370 nan 0.000 0.506 270 L N 2.599 123.793 121.223 -0.048 0.000 2.349 270 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 270 L C 1.977 178.829 176.870 -0.030 0.000 1.130 270 L CA 0.815 55.630 54.840 -0.042 0.000 0.791 270 L CB -0.023 42.010 42.059 -0.044 0.000 0.918 270 L HN 0.373 nan 8.230 nan 0.000 0.444 271 E N -0.169 120.014 120.200 -0.028 0.000 2.102 271 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 271 E C 1.969 178.561 176.600 -0.014 0.000 0.971 271 E CA 0.743 57.133 56.400 -0.018 0.000 0.821 271 E CB 0.006 29.695 29.700 -0.019 0.000 0.777 271 E HN 0.583 nan 8.360 nan 0.000 0.460 272 Q N 0.637 120.426 119.800 -0.018 0.000 2.444 272 Q HA 0.023 4.363 4.340 -0.000 0.000 0.206 272 Q C -0.201 175.788 176.000 -0.018 0.000 0.948 272 Q CA -0.041 55.752 55.803 -0.015 0.000 0.946 272 Q CB 0.281 29.009 28.738 -0.017 0.000 1.027 272 Q HN -0.088 nan 8.270 nan 0.000 0.513 273 K N 1.524 121.910 120.400 -0.023 0.000 3.156 273 K HA -0.203 4.117 4.320 -0.000 0.000 0.266 273 K C -0.784 175.796 176.600 -0.033 0.000 0.966 273 K CA 1.292 57.562 56.287 -0.028 0.000 0.719 273 K CB -1.749 30.740 32.500 -0.018 0.000 1.333 273 K HN 0.572 nan 8.250 nan 0.000 0.468 274 K N -1.723 118.655 120.400 -0.038 0.000 2.555 274 K HA 0.504 4.824 4.320 -0.000 0.000 0.279 274 K C -0.273 176.300 176.600 -0.045 0.000 0.986 274 K CA -1.105 55.159 56.287 -0.038 0.000 0.880 274 K CB 1.241 33.726 32.500 -0.024 0.000 1.474 274 K HN -0.038 nan 8.250 nan 0.000 0.433 275 I N 2.946 123.491 120.570 -0.042 0.000 2.421 275 I HA -0.009 4.161 4.170 -0.000 0.000 0.291 275 I C 1.080 177.184 176.117 -0.021 0.000 1.089 275 I CA -0.553 60.725 61.300 -0.037 0.000 1.354 275 I CB 1.204 39.197 38.000 -0.012 0.000 1.413 275 I HN 0.596 nan 8.210 nan 0.000 0.513 276 V N 2.942 122.839 119.914 -0.029 0.000 3.596 276 V HA 0.310 4.430 4.120 -0.000 0.000 0.289 276 V C 0.406 176.488 176.094 -0.020 0.000 1.336 276 V CA 0.198 62.484 62.300 -0.023 0.000 1.137 276 V CB -0.626 31.180 31.823 -0.029 0.000 0.966 276 V HN 0.841 nan 8.190 nan 0.000 0.428 277 K N 0.645 121.035 120.400 -0.016 0.000 2.577 277 K HA 0.426 4.746 4.320 -0.000 0.000 0.267 277 K C -1.948 174.654 176.600 0.002 0.000 0.979 277 K CA -0.553 55.727 56.287 -0.012 0.000 0.942 277 K CB 1.611 34.095 32.500 -0.027 0.000 1.343 277 K HN 0.287 nan 8.250 nan 0.000 0.436 278 I N 3.984 124.564 120.570 0.016 0.000 2.355 278 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 278 I C -0.332 175.792 176.117 0.011 0.000 0.999 278 I CA -0.625 60.695 61.300 0.032 0.000 1.163 278 I CB 1.733 39.760 38.000 0.044 0.000 1.316 278 I HN 0.482 nan 8.210 nan 0.000 0.454 279 E N 6.600 126.808 120.200 0.014 0.000 2.134 279 E HA 0.363 4.713 4.350 -0.000 0.000 0.278 279 E C -0.935 175.671 176.600 0.011 0.000 0.959 279 E CA -0.504 55.906 56.400 0.016 0.000 0.783 279 E CB 1.630 31.351 29.700 0.035 0.000 1.095 279 E HN 0.495 nan 8.360 nan 0.000 0.399 280 E N 1.606 121.807 120.200 0.001 0.000 2.176 280 E HA 0.445 4.794 4.350 -0.000 0.000 0.267 280 E C -0.356 176.248 176.600 0.007 0.000 0.893 280 E CA -0.606 55.789 56.400 -0.009 0.000 0.761 280 E CB 1.994 31.675 29.700 -0.031 0.000 1.133 280 E HN 0.568 nan 8.360 nan 0.000 0.409 281 G N 2.625 111.433 108.800 0.015 0.000 2.887 281 G HA2 0.501 4.461 3.960 -0.000 0.000 0.277 281 G HA3 0.501 4.461 3.960 -0.000 0.000 0.277 281 G C -2.436 172.475 174.900 0.018 0.000 1.346 281 G CA -1.281 43.835 45.100 0.027 0.000 1.058 281 G HN 0.337 nan 8.290 nan 0.000 0.535 282 P HA 0.082 nan 4.420 nan 0.000 0.265 282 P C -0.150 177.161 177.300 0.018 0.000 1.187 282 P CA -0.044 63.067 63.100 0.019 0.000 0.766 282 P CB 0.993 32.708 31.700 0.025 0.000 0.820 283 V N 3.999 123.919 119.914 0.009 0.000 2.470 283 V HA 0.044 4.164 4.120 -0.000 0.000 0.276 283 V C 0.669 176.774 176.094 0.018 0.000 1.040 283 V CA 0.050 62.353 62.300 0.006 0.000 1.008 283 V CB 0.925 32.747 31.823 -0.002 0.000 0.990 283 V HN 0.266 nan 8.190 nan 0.000 0.477 284 V N 7.694 127.624 119.914 0.026 0.000 2.378 284 V HA 0.342 4.462 4.120 -0.000 0.000 0.288 284 V C -2.172 173.948 176.094 0.042 0.000 1.016 284 V CA -1.960 60.363 62.300 0.038 0.000 0.840 284 V CB 1.602 33.458 31.823 0.054 0.000 0.994 284 V HN 0.750 nan 8.190 nan 0.000 0.431 285 P HA 0.016 nan 4.420 nan 0.000 0.263 285 P C -0.261 177.082 177.300 0.072 0.000 1.175 285 P CA 0.123 63.252 63.100 0.048 0.000 0.761 285 P CB 0.368 32.095 31.700 0.045 0.000 0.794 286 V N 6.669 126.631 119.914 0.079 0.000 2.572 286 V HA 0.076 4.196 4.120 -0.000 0.000 0.291 286 V C -1.839 174.349 176.094 0.157 0.000 1.039 286 V CA -1.111 61.262 62.300 0.121 0.000 1.055 286 V CB 0.219 32.114 31.823 0.119 0.000 0.969 286 V HN 0.568 nan 8.190 nan 0.000 0.482 287 P HA 0.150 nan 4.420 nan 0.000 0.265 287 P C 0.497 178.012 177.300 0.358 0.000 1.222 287 P CA 0.091 63.338 63.100 0.246 0.000 0.767 287 P CB 0.455 32.299 31.700 0.241 0.000 0.801 288 M N 0.309 120.062 119.600 0.255 0.000 2.447 288 M HA 0.034 4.514 4.480 -0.000 0.000 0.266 288 M C 0.574 177.002 176.300 0.214 0.000 1.120 288 M CA 0.790 56.201 55.300 0.185 0.000 1.166 288 M CB -1.231 31.420 32.600 0.086 0.000 1.349 288 M HN 0.140 nan 8.290 nan 0.000 0.463 289 T N 2.858 117.558 114.554 0.245 0.000 2.819 289 T HA 0.151 4.501 4.350 -0.000 0.000 0.282 289 T C 0.435 175.330 174.700 0.325 0.000 1.013 289 T CA -0.069 62.172 62.100 0.235 0.000 1.159 289 T CB -0.029 68.979 68.868 0.234 0.000 1.007 289 T HN 0.371 nan 8.240 nan 0.000 0.514 290 A N 4.619 127.569 122.820 0.217 0.000 2.520 290 A HA 0.346 4.666 4.320 -0.000 0.000 0.245 290 A C 0.792 178.481 177.584 0.175 0.000 1.072 290 A CA -0.224 51.940 52.037 0.212 0.000 0.761 290 A CB 0.206 19.265 19.000 0.098 0.000 1.004 290 A HN 0.667 nan 8.150 nan 0.000 0.499 291 R N 2.824 123.418 120.500 0.156 0.000 2.738 291 R HA 0.267 4.607 4.340 -0.000 0.000 0.280 291 R C -2.984 173.282 176.300 -0.056 0.000 1.456 291 R CA -1.898 54.212 56.100 0.017 0.000 1.612 291 R CB 0.493 30.757 30.300 -0.060 0.000 1.286 291 R HN 0.596 nan 8.270 nan 0.000 0.660 292 P HA 0.029 nan 4.420 nan 0.000 0.269 292 P C 0.105 177.311 177.300 -0.157 0.000 1.209 292 P CA 0.018 63.011 63.100 -0.178 0.000 0.776 292 P CB 0.412 32.022 31.700 -0.150 0.000 0.876 293 F N -0.025 119.853 119.950 -0.121 0.000 2.767 293 F HA 0.252 4.779 4.527 -0.000 0.000 0.323 293 F C 1.042 176.785 175.800 -0.094 0.000 1.091 293 F CA -0.406 57.510 58.000 -0.140 0.000 1.192 293 F CB -0.471 38.413 39.000 -0.193 0.000 1.056 293 F HN 0.101 nan 8.300 nan 0.000 0.571 294 D N 0.387 120.590 120.400 -0.328 0.000 2.328 294 D HA 0.184 4.824 4.640 -0.000 0.000 0.226 294 D C 1.842 178.094 176.300 -0.079 0.000 1.066 294 D CA 0.569 54.470 54.000 -0.165 0.000 0.861 294 D CB -0.037 40.585 40.800 -0.298 0.000 0.912 294 D HN 0.475 nan 8.370 nan 0.000 0.521 295 G N 1.713 110.474 108.800 -0.065 0.000 2.159 295 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.256 295 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.256 295 G C 1.200 176.073 174.900 -0.046 0.000 0.977 295 G CA 0.484 45.561 45.100 -0.038 0.000 0.652 295 G HN 0.595 nan 8.290 nan 0.000 0.531 296 R N 0.442 120.900 120.500 -0.070 0.000 2.127 296 R HA -0.074 4.265 4.340 -0.000 0.000 0.238 296 R C 1.410 177.688 176.300 -0.037 0.000 1.134 296 R CA 2.001 58.067 56.100 -0.057 0.000 0.975 296 R CB -0.438 29.816 30.300 -0.076 0.000 0.865 296 R HN 0.433 nan 8.270 nan 0.000 0.447 297 D N -0.142 120.238 120.400 -0.034 0.000 2.424 297 D HA 0.107 4.747 4.640 -0.000 0.000 0.220 297 D C -0.104 176.190 176.300 -0.010 0.000 1.150 297 D CA -0.276 53.714 54.000 -0.018 0.000 0.831 297 D CB 0.233 41.025 40.800 -0.013 0.000 0.981 297 D HN 0.055 nan 8.370 nan 0.000 0.500 298 R N -0.272 120.220 120.500 -0.012 0.000 2.888 298 R HA 0.672 5.012 4.340 -0.000 0.000 0.266 298 R C -1.044 175.254 176.300 -0.004 0.000 1.020 298 R CA -1.022 55.075 56.100 -0.005 0.000 0.963 298 R CB 2.393 32.689 30.300 -0.005 0.000 1.197 298 R HN -0.136 nan 8.270 nan 0.000 0.481 299 V N 1.196 121.110 119.914 0.000 0.000 2.419 299 V HA 0.374 4.494 4.120 -0.000 0.000 0.287 299 V C 0.133 176.229 176.094 0.003 0.000 1.017 299 V CA -1.125 61.175 62.300 0.001 0.000 0.844 299 V CB 1.376 33.200 31.823 0.003 0.000 1.011 299 V HN 0.920 nan 8.190 nan 0.000 0.429 300 A N 7.318 130.140 122.820 0.003 0.000 2.498 300 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 300 A C -1.410 176.177 177.584 0.005 0.000 1.068 300 A CA -0.584 51.456 52.037 0.004 0.000 0.766 300 A CB -0.187 18.815 19.000 0.004 0.000 1.003 300 A HN 0.702 nan 8.150 nan 0.000 0.497 301 P HA 0.363 nan 4.420 nan 0.000 0.275 301 P C -0.181 177.122 177.300 0.006 0.000 1.227 301 P CA -0.018 63.086 63.100 0.007 0.000 0.781 301 P CB 0.910 32.614 31.700 0.007 0.000 0.906 302 A N 2.966 125.790 122.820 0.006 0.000 2.511 302 A HA 0.369 4.689 4.320 -0.000 0.000 0.242 302 A C 0.086 177.673 177.584 0.005 0.000 1.069 302 A CA -0.038 52.002 52.037 0.006 0.000 0.763 302 A CB -0.086 18.918 19.000 0.006 0.000 1.001 302 A HN 0.414 nan 8.150 nan 0.000 0.498 303 V N 3.321 123.239 119.914 0.005 0.000 2.789 303 V HA 0.294 4.414 4.120 -0.000 0.000 0.311 303 V C 0.087 176.184 176.094 0.005 0.000 1.073 303 V CA -0.949 61.354 62.300 0.005 0.000 0.921 303 V CB 2.076 33.902 31.823 0.005 0.000 1.009 303 V HN 0.968 nan 8.190 nan 0.000 0.426 304 K N 4.245 124.647 120.400 0.003 0.000 2.270 304 K HA 0.358 4.678 4.320 -0.000 0.000 0.276 304 K C -2.128 174.475 176.600 0.004 0.000 1.023 304 K CA -1.129 55.159 56.287 0.002 0.000 0.955 304 K CB 0.557 33.057 32.500 -0.001 0.000 0.975 304 K HN 0.533 nan 8.250 nan 0.000 0.471 305 P HA -0.028 nan 4.420 nan 0.000 0.268 305 P C -1.003 176.302 177.300 0.008 0.000 1.205 305 P CA 0.140 63.245 63.100 0.009 0.000 0.771 305 P CB 0.673 32.381 31.700 0.013 0.000 0.858 306 M N 2.296 121.902 119.600 0.011 0.000 2.213 306 M HA 0.259 4.739 4.480 -0.000 0.000 0.286 306 M C -1.473 174.838 176.300 0.018 0.000 1.008 306 M CA -0.337 54.969 55.300 0.010 0.000 0.937 306 M CB 2.084 34.687 32.600 0.005 0.000 1.600 306 M HN 0.333 nan 8.290 nan 0.000 0.450 307 Q N 4.728 124.543 119.800 0.026 0.000 2.375 307 Q HA 0.616 4.956 4.340 -0.000 0.000 0.271 307 Q C -1.301 174.724 176.000 0.041 0.000 1.074 307 Q CA -0.719 55.109 55.803 0.042 0.000 0.808 307 Q CB 3.333 32.112 28.738 0.068 0.000 1.327 307 Q HN 0.740 nan 8.270 nan 0.000 0.441 308 I N 4.353 124.952 120.570 0.049 0.000 2.359 308 I HA 0.364 4.534 4.170 -0.000 0.000 0.284 308 I C -0.249 175.912 176.117 0.072 0.000 1.018 308 I CA -0.578 60.751 61.300 0.049 0.000 1.173 308 I CB 0.536 38.565 38.000 0.049 0.000 1.326 308 I HN 0.487 nan 8.210 nan 0.000 0.462 309 I N 2.504 123.105 120.570 0.052 0.000 2.562 309 I HA 0.579 4.749 4.170 -0.000 0.000 0.301 309 I C -0.541 175.539 176.117 -0.061 0.000 1.003 309 I CA -0.463 60.859 61.300 0.036 0.000 1.127 309 I CB 1.877 39.898 38.000 0.034 0.000 1.304 309 I HN 0.486 nan 8.210 nan 0.000 0.446 310 E N 5.346 125.489 120.200 -0.095 0.000 3.108 310 E HA 0.264 4.614 4.350 -0.000 0.000 0.228 310 E C -2.186 174.245 176.600 -0.281 0.000 1.176 310 E CA -1.429 54.895 56.400 -0.127 0.000 0.881 310 E CB 1.329 31.017 29.700 -0.020 0.000 1.354 310 E HN 0.560 nan 8.360 nan 0.000 0.400 311 P HA -0.189 nan 4.420 nan 0.000 0.218 311 P C 0.382 177.528 177.300 -0.256 0.000 1.146 311 P CA 1.238 63.848 63.100 -0.818 0.000 0.813 311 P CB 0.270 31.608 31.700 -0.604 0.000 0.778 312 E N -1.321 118.789 120.200 -0.149 0.000 2.501 312 E HA 0.349 4.699 4.350 -0.000 0.000 0.200 312 E C 0.798 177.379 176.600 -0.032 0.000 1.016 312 E CA -0.074 56.291 56.400 -0.059 0.000 0.921 312 E CB 0.267 29.934 29.700 -0.055 0.000 1.034 312 E HN 0.111 nan 8.360 nan 0.000 0.468 313 G N 1.372 110.156 108.800 -0.027 0.000 2.610 313 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.304 313 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.304 313 G C -0.902 173.946 174.900 -0.087 0.000 1.309 313 G CA -0.972 44.113 45.100 -0.025 0.000 0.906 313 G HN -0.054 nan 8.290 nan 0.000 0.521 314 K N 0.016 120.306 120.400 -0.183 0.000 2.106 314 K HA 0.418 4.738 4.320 -0.000 0.000 0.246 314 K C 1.229 177.678 176.600 -0.251 0.000 0.987 314 K CA -0.632 55.435 56.287 -0.366 0.000 0.904 314 K CB 0.823 32.740 32.500 -0.972 0.000 1.071 314 K HN 0.553 nan 8.250 nan 0.000 0.453 315 N N -0.194 118.425 118.700 -0.135 0.000 2.446 315 N HA -0.055 4.684 4.740 -0.000 0.000 0.179 315 N C -0.327 175.315 175.510 0.219 0.000 1.054 315 N CA 0.447 53.550 53.050 0.090 0.000 0.905 315 N CB -0.060 38.569 38.487 0.236 0.000 0.973 315 N HN 0.485 nan 8.380 nan 0.000 0.448 316 Y N -0.260 120.213 120.300 0.288 0.000 2.419 316 Y HA 0.623 5.173 4.550 -0.000 0.000 0.328 316 Y C 0.099 176.031 175.900 0.054 0.000 1.162 316 Y CA -1.541 56.689 58.100 0.217 0.000 1.174 316 Y CB 0.486 39.017 38.460 0.119 0.000 1.228 316 Y HN -0.231 nan 8.280 nan 0.000 0.473 317 T N 0.654 115.351 114.554 0.238 0.000 2.863 317 T HA 0.719 5.069 4.350 -0.000 0.000 0.285 317 T C -0.850 173.841 174.700 -0.016 0.000 1.009 317 T CA -0.755 61.382 62.100 0.061 0.000 0.989 317 T CB 1.093 69.992 68.868 0.052 0.000 1.004 317 T HN 0.714 nan 8.240 nan 0.000 0.455 318 I N 2.935 123.395 120.570 -0.183 0.000 2.405 318 I HA 0.254 4.423 4.170 -0.000 0.000 0.280 318 I C -0.095 175.981 176.117 -0.068 0.000 1.027 318 I CA -0.716 60.447 61.300 -0.229 0.000 1.161 318 I CB 1.502 39.201 38.000 -0.502 0.000 1.300 318 I HN 0.705 nan 8.210 nan 0.000 0.463 319 T N 5.359 119.901 114.554 -0.020 0.000 2.891 319 T HA 0.479 4.829 4.350 -0.000 0.000 0.315 319 T C 0.906 175.638 174.700 0.052 0.000 1.054 319 T CA 0.348 62.474 62.100 0.045 0.000 0.958 319 T CB 1.070 69.966 68.868 0.047 0.000 1.008 319 T HN 1.031 nan 8.240 nan 0.000 0.521 320 G N 4.141 112.992 108.800 0.086 0.000 2.595 320 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.297 320 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.297 320 G C 0.381 175.278 174.900 -0.004 0.000 1.181 320 G CA 0.382 45.518 45.100 0.060 0.000 0.963 320 G HN 0.606 nan 8.290 nan 0.000 0.541 321 D N 0.996 121.333 120.400 -0.105 0.000 2.469 321 D HA 0.229 4.868 4.640 -0.000 0.000 0.213 321 D C 1.040 177.080 176.300 -0.433 0.000 1.135 321 D CA -0.005 53.803 54.000 -0.322 0.000 0.834 321 D CB 0.295 40.759 40.800 -0.560 0.000 1.009 321 D HN 0.375 nan 8.370 nan 0.000 0.507 322 M N 1.504 120.973 119.600 -0.219 0.000 2.184 322 M HA 0.249 4.729 4.480 -0.000 0.000 0.351 322 M C -0.015 176.121 176.300 -0.272 0.000 1.395 322 M CA 0.361 55.552 55.300 -0.181 0.000 1.117 322 M CB 1.326 33.952 32.600 0.042 0.000 1.708 322 M HN -0.271 nan 8.290 nan 0.000 0.468 323 I N 3.205 123.456 120.570 -0.532 0.000 2.377 323 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 323 I C -0.164 175.720 176.117 -0.388 0.000 0.987 323 I CA -0.648 60.288 61.300 -0.607 0.000 1.185 323 I CB 1.123 38.432 38.000 -1.151 0.000 1.341 323 I HN 0.603 nan 8.210 nan 0.000 0.455 324 H N 6.356 125.330 119.070 -0.159 0.000 2.505 324 H HA 0.292 4.848 4.556 -0.000 0.000 0.338 324 H C -2.158 173.306 175.328 0.226 0.000 1.057 324 H CA -0.573 55.491 56.048 0.028 0.000 1.202 324 H CB 1.827 31.605 29.762 0.027 0.000 1.466 324 H HN 0.735 nan 8.280 nan 0.000 0.499 325 W N 8.213 129.179 121.300 -0.557 0.000 3.089 325 W HA 0.321 4.981 4.660 -0.000 0.000 0.333 325 W C -0.351 176.040 176.519 -0.213 0.000 1.053 325 W CA -0.452 56.761 57.345 -0.220 0.000 1.257 325 W CB 0.481 29.956 29.460 0.025 0.000 1.281 325 W HN 1.024 nan 8.180 nan 0.000 0.427 326 R N 2.312 122.424 120.500 -0.646 0.000 3.853 326 R HA -0.390 3.950 4.340 -0.000 0.000 0.440 326 R C 0.835 176.855 176.300 -0.466 0.000 0.241 326 R CA 2.332 58.067 56.100 -0.607 0.000 1.395 326 R CB -1.129 28.589 30.300 -0.971 0.000 0.984 326 R HN 0.733 nan 8.270 nan 0.000 0.570 327 N N -0.662 117.709 118.700 -0.548 0.000 2.461 327 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 327 N C -0.401 174.700 175.510 -0.683 0.000 1.134 327 N CA 0.079 52.695 53.050 -0.723 0.000 0.878 327 N CB 0.105 37.829 38.487 -1.272 0.000 0.972 327 N HN 0.169 nan 8.380 nan 0.000 0.456 328 W N 1.273 122.425 121.300 -0.247 0.000 2.376 328 W HA 0.352 5.012 4.660 -0.000 0.000 0.322 328 W C -0.218 176.320 176.519 0.032 0.000 1.160 328 W CA -0.628 56.733 57.345 0.027 0.000 1.218 328 W CB 1.009 30.630 29.460 0.267 0.000 1.205 328 W HN -0.172 nan 8.180 nan 0.000 0.559 329 D N 3.145 123.858 120.400 0.522 0.000 2.855 329 D HA 0.335 4.975 4.640 -0.000 0.000 0.241 329 D C -1.127 175.450 176.300 0.462 0.000 1.277 329 D CA -0.305 53.905 54.000 0.350 0.000 0.918 329 D CB 1.960 42.940 40.800 0.300 0.000 1.462 329 D HN 0.218 nan 8.370 nan 0.000 0.559 330 F N -0.879 119.115 119.950 0.073 0.000 2.686 330 F HA 0.423 4.950 4.527 -0.000 0.000 0.311 330 F C -1.309 174.468 175.800 -0.038 0.000 1.128 330 F CA -1.036 56.981 58.000 0.027 0.000 0.946 330 F CB 1.564 40.529 39.000 -0.059 0.000 1.336 330 F HN 0.148 nan 8.300 nan 0.000 0.457 331 H N 2.275 121.297 119.070 -0.079 0.000 2.481 331 H HA 0.623 5.179 4.556 -0.000 0.000 0.333 331 H C -1.945 173.248 175.328 -0.224 0.000 1.066 331 H CA -0.692 55.175 56.048 -0.302 0.000 1.209 331 H CB 1.992 31.397 29.762 -0.595 0.000 1.445 331 H HN 0.802 nan 8.280 nan 0.000 0.488 332 L N 5.394 126.222 121.223 -0.657 0.000 2.298 332 L HA 0.324 4.664 4.340 -0.000 0.000 0.284 332 L C -0.676 175.892 176.870 -0.504 0.000 1.013 332 L CA -0.163 54.421 54.840 -0.427 0.000 0.824 332 L CB 1.089 42.978 42.059 -0.283 0.000 1.221 332 L HN 0.687 nan 8.230 nan 0.000 0.418 333 S N 4.088 119.595 115.700 -0.322 0.000 2.709 333 S HA 0.858 5.328 4.470 -0.000 0.000 0.302 333 S C -0.626 173.840 174.600 -0.224 0.000 1.127 333 S CA -0.931 57.135 58.200 -0.223 0.000 0.905 333 S CB 1.754 64.916 63.200 -0.064 0.000 1.151 333 S HN 0.588 nan 8.310 nan 0.000 0.510 334 M N 2.266 121.760 119.600 -0.177 0.000 2.456 334 M HA 0.523 5.003 4.480 -0.000 0.000 0.324 334 M C -1.183 175.026 176.300 -0.151 0.000 1.124 334 M CA -0.515 54.667 55.300 -0.198 0.000 0.959 334 M CB 1.737 34.251 32.600 -0.143 0.000 1.692 334 M HN 0.874 nan 8.290 nan 0.000 0.444 335 N N 1.066 119.661 118.700 -0.175 0.000 2.295 335 N HA 0.253 4.993 4.740 -0.000 0.000 0.293 335 N C 0.044 175.516 175.510 -0.062 0.000 1.040 335 N CA 0.136 53.126 53.050 -0.101 0.000 0.840 335 N CB 1.707 40.138 38.487 -0.094 0.000 1.468 335 N HN 0.861 nan 8.380 nan 0.000 0.478 336 S N 3.310 119.007 115.700 -0.005 0.000 2.419 336 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 336 S C 1.696 176.331 174.600 0.058 0.000 1.019 336 S CA 0.789 59.014 58.200 0.042 0.000 0.982 336 S CB 0.034 63.269 63.200 0.058 0.000 0.789 336 S HN 0.720 nan 8.310 nan 0.000 0.490 337 R N 0.888 121.402 120.500 0.023 0.000 2.048 337 R HA 0.075 4.415 4.340 -0.000 0.000 0.221 337 R C 2.245 178.565 176.300 0.033 0.000 1.174 337 R CA 1.503 57.609 56.100 0.010 0.000 0.971 337 R CB -0.247 30.006 30.300 -0.078 0.000 0.863 337 R HN 0.453 nan 8.270 nan 0.000 0.439 338 V N -1.737 118.177 119.914 0.001 0.000 3.650 338 V HA 0.419 4.539 4.120 -0.000 0.000 0.271 338 V C 0.869 176.801 176.094 -0.270 0.000 1.281 338 V CA 0.511 62.793 62.300 -0.030 0.000 1.120 338 V CB -0.188 31.654 31.823 0.031 0.000 0.856 338 V HN 0.696 nan 8.190 nan 0.000 0.443 339 G N 1.247 109.815 108.800 -0.385 0.000 2.481 339 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.230 339 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.230 339 G C -2.570 171.846 174.900 -0.807 0.000 1.210 339 G CA -0.220 44.306 45.100 -0.957 0.000 0.936 339 G HN 0.617 nan 8.290 nan 0.000 0.583 340 P HA 0.360 nan 4.420 nan 0.000 0.268 340 P C -0.586 176.366 177.300 -0.580 0.000 1.205 340 P CA 0.564 63.255 63.100 -0.681 0.000 0.771 340 P CB 0.603 31.918 31.700 -0.642 0.000 0.858 341 M N 3.263 122.577 119.600 -0.476 0.000 2.151 341 M HA 0.305 4.785 4.480 -0.000 0.000 0.290 341 M C -0.678 175.381 176.300 -0.403 0.000 0.965 341 M CA -0.760 54.279 55.300 -0.436 0.000 0.930 341 M CB 1.525 33.947 32.600 -0.296 0.000 1.560 341 M HN 0.135 nan 8.290 nan 0.000 0.438 342 I N 2.668 122.932 120.570 -0.510 0.000 2.297 342 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 342 I C -0.157 175.823 176.117 -0.229 0.000 1.033 342 I CA 0.337 61.441 61.300 -0.327 0.000 1.253 342 I CB 0.953 38.681 38.000 -0.453 0.000 1.396 342 I HN 0.535 nan 8.210 nan 0.000 0.476 343 S N 2.549 118.167 115.700 -0.137 0.000 2.689 343 S HA 0.555 5.025 4.470 -0.000 0.000 0.306 343 S C 0.054 174.556 174.600 -0.162 0.000 1.104 343 S CA -0.586 57.449 58.200 -0.275 0.000 0.973 343 S CB 1.638 64.592 63.200 -0.410 0.000 1.121 343 S HN 0.826 nan 8.310 nan 0.000 0.523 344 T N -1.438 112.866 114.554 -0.418 0.000 3.473 344 T HA -0.155 4.195 4.350 -0.000 0.000 0.403 344 T C -0.094 174.734 174.700 0.214 0.000 0.768 344 T CA 0.016 61.896 62.100 -0.367 0.000 2.009 344 T CB -2.450 66.293 68.868 -0.208 0.000 1.715 344 T HN 0.430 nan 8.240 nan 0.000 0.666 345 V N 2.611 122.732 119.914 0.345 0.000 2.455 345 V HA 0.631 4.751 4.120 -0.000 0.000 0.273 345 V C 1.139 177.625 176.094 0.654 0.000 1.045 345 V CA 0.175 62.786 62.300 0.518 0.000 0.976 345 V CB 0.956 33.026 31.823 0.411 0.000 0.993 345 V HN 1.014 nan 8.190 nan 0.000 0.475 346 T N 2.082 117.019 114.554 0.639 0.000 2.916 346 T HA 0.629 4.979 4.350 -0.000 0.000 0.292 346 T C -1.159 173.808 174.700 0.444 0.000 1.055 346 T CA -0.741 61.669 62.100 0.516 0.000 1.009 346 T CB 1.801 70.915 68.868 0.409 0.000 1.118 346 T HN 0.413 nan 8.240 nan 0.000 0.497 347 Y N 1.758 122.165 120.300 0.179 0.000 2.328 347 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 347 Y C 0.246 176.190 175.900 0.072 0.000 0.960 347 Y CA -0.814 57.255 58.100 -0.051 0.000 1.134 347 Y CB 1.307 39.696 38.460 -0.118 0.000 1.166 347 Y HN 0.917 nan 8.280 nan 0.000 0.464 348 N N 4.709 123.250 118.700 -0.265 0.000 2.421 348 N HA -0.036 4.704 4.740 -0.000 0.000 0.260 348 N C -1.104 174.440 175.510 0.058 0.000 1.173 348 N CA -0.262 52.753 53.050 -0.059 0.000 0.960 348 N CB 0.146 38.577 38.487 -0.094 0.000 1.273 348 N HN 0.570 nan 8.380 nan 0.000 0.497 349 D N 3.724 124.290 120.400 0.276 0.000 2.483 349 D HA 0.002 4.641 4.640 -0.000 0.000 0.220 349 D C -0.079 176.321 176.300 0.167 0.000 1.173 349 D CA 0.185 54.394 54.000 0.349 0.000 0.964 349 D CB -0.608 40.426 40.800 0.390 0.000 1.046 349 D HN 0.703 nan 8.370 nan 0.000 0.517 350 N N 3.181 121.948 118.700 0.111 0.000 2.725 350 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 350 N C 0.771 176.304 175.510 0.038 0.000 1.031 350 N CA 0.875 53.959 53.050 0.056 0.000 0.720 350 N CB -0.977 37.544 38.487 0.057 0.000 0.930 350 N HN 0.745 nan 8.380 nan 0.000 0.543 351 G N -1.651 107.168 108.800 0.032 0.000 2.213 351 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.236 351 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.236 351 G C 0.037 174.956 174.900 0.032 0.000 0.991 351 G CA 0.510 45.624 45.100 0.024 0.000 0.629 351 G HN 0.527 nan 8.290 nan 0.000 0.517 352 T N 1.886 116.470 114.554 0.051 0.000 2.786 352 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 352 T C -0.048 174.703 174.700 0.084 0.000 0.992 352 T CA -0.514 61.618 62.100 0.052 0.000 0.954 352 T CB 1.552 70.443 68.868 0.038 0.000 0.934 352 T HN 0.288 nan 8.240 nan 0.000 0.440 353 K N 3.694 124.142 120.400 0.079 0.000 2.349 353 K HA 0.289 4.609 4.320 -0.000 0.000 0.289 353 K C 0.163 176.828 176.600 0.109 0.000 1.064 353 K CA -0.162 56.195 56.287 0.116 0.000 0.947 353 K CB 0.814 33.389 32.500 0.126 0.000 1.007 353 K HN 0.353 nan 8.250 nan 0.000 0.478 354 R N 2.755 123.361 120.500 0.177 0.000 2.393 354 R HA 0.193 4.532 4.340 -0.000 0.000 0.310 354 R C -0.381 176.042 176.300 0.205 0.000 0.968 354 R CA -0.804 55.392 56.100 0.160 0.000 0.867 354 R CB 1.432 31.858 30.300 0.210 0.000 1.124 354 R HN 0.348 nan 8.270 nan 0.000 0.450 355 K N 1.434 121.846 120.400 0.019 0.000 2.489 355 K HA 0.007 4.327 4.320 -0.000 0.000 0.278 355 K C 0.333 177.045 176.600 0.188 0.000 1.000 355 K CA -0.048 56.204 56.287 -0.058 0.000 1.012 355 K CB 0.836 33.041 32.500 -0.491 0.000 0.903 355 K HN 0.339 nan 8.250 nan 0.000 0.485 356 V N 2.314 122.391 119.914 0.271 0.000 3.029 356 V HA 0.150 4.270 4.120 -0.000 0.000 0.230 356 V C 0.085 176.251 176.094 0.119 0.000 1.254 356 V CA 0.098 62.471 62.300 0.122 0.000 1.276 356 V CB 0.342 32.259 31.823 0.156 0.000 1.080 356 V HN 0.780 nan 8.190 nan 0.000 0.495 357 M N -1.137 118.643 119.600 0.300 0.000 2.238 357 M HA 0.354 4.834 4.480 -0.000 0.000 0.278 357 M C -0.161 176.335 176.300 0.327 0.000 1.040 357 M CA -0.578 54.867 55.300 0.241 0.000 0.969 357 M CB 2.093 34.734 32.600 0.070 0.000 1.694 357 M HN 0.259 nan 8.290 nan 0.000 0.472 358 Y N 3.853 124.271 120.300 0.198 0.000 2.163 358 Y HA 0.161 4.711 4.550 -0.000 0.000 0.288 358 Y C -0.317 175.454 175.900 -0.214 0.000 1.136 358 Y CA 1.718 59.743 58.100 -0.124 0.000 1.147 358 Y CB 0.563 38.946 38.460 -0.128 0.000 0.987 358 Y HN 0.626 nan 8.280 nan 0.000 0.509 359 E N -1.207 118.862 120.200 -0.218 0.000 2.321 359 E HA 0.517 4.867 4.350 -0.000 0.000 0.281 359 E C -1.181 175.312 176.600 -0.179 0.000 0.910 359 E CA -0.336 55.882 56.400 -0.303 0.000 0.770 359 E CB 1.826 31.340 29.700 -0.310 0.000 1.225 359 E HN 0.242 nan 8.360 nan 0.000 0.417 360 G N 0.856 109.522 108.800 -0.222 0.000 2.638 360 G HA2 0.679 4.639 3.960 -0.000 0.000 0.302 360 G HA3 0.679 4.639 3.960 -0.000 0.000 0.302 360 G C -0.817 173.897 174.900 -0.310 0.000 1.365 360 G CA -0.339 44.675 45.100 -0.143 0.000 0.987 360 G HN 0.524 nan 8.290 nan 0.000 0.495 361 S N 0.577 116.265 115.700 -0.020 0.000 2.656 361 S HA 0.566 5.035 4.470 -0.000 0.000 0.265 361 S C -1.370 173.454 174.600 0.374 0.000 1.132 361 S CA -0.811 57.380 58.200 -0.015 0.000 0.819 361 S CB 0.925 64.018 63.200 -0.180 0.000 1.119 361 S HN 1.545 nan 8.310 nan 0.000 0.476 362 L N 2.226 123.630 121.223 0.302 0.000 2.455 362 L HA 0.626 4.966 4.340 -0.000 0.000 0.272 362 L C 1.294 178.226 176.870 0.103 0.000 1.174 362 L CA 1.274 56.256 54.840 0.237 0.000 0.869 362 L CB 0.378 42.438 42.059 0.001 0.000 1.130 362 L HN 1.009 nan 8.230 nan 0.000 0.474 363 G N 3.124 111.955 108.800 0.051 0.000 2.439 363 G HA2 0.444 4.404 3.960 -0.000 0.000 0.212 363 G HA3 0.444 4.404 3.960 -0.000 0.000 0.212 363 G C 0.424 175.377 174.900 0.089 0.000 1.199 363 G CA 0.537 45.699 45.100 0.103 0.000 0.807 363 G HN 1.143 nan 8.290 nan 0.000 0.537 364 G N -1.231 107.518 108.800 -0.084 0.000 2.368 364 G HA2 0.548 4.508 3.960 -0.000 0.000 0.293 364 G HA3 0.548 4.508 3.960 -0.000 0.000 0.293 364 G C -1.031 173.790 174.900 -0.131 0.000 1.467 364 G CA -0.297 44.742 45.100 -0.101 0.000 0.804 364 G HN 0.805 nan 8.290 nan 0.000 0.535 365 M N -0.892 118.708 119.600 -0.001 0.000 2.618 365 M HA 0.928 5.408 4.480 -0.000 0.000 0.281 365 M C -1.816 174.587 176.300 0.171 0.000 1.267 365 M CA -1.143 54.208 55.300 0.084 0.000 0.845 365 M CB 2.677 35.312 32.600 0.059 0.000 1.732 365 M HN 0.854 nan 8.290 nan 0.000 0.461 366 I N 1.374 122.042 120.570 0.164 0.000 2.656 366 I HA 0.666 4.836 4.170 -0.000 0.000 0.292 366 I C -1.919 174.249 176.117 0.085 0.000 1.144 366 I CA -0.510 60.885 61.300 0.158 0.000 1.038 366 I CB 2.624 40.719 38.000 0.158 0.000 1.244 366 I HN 0.616 nan 8.210 nan 0.000 0.420 367 V N 8.817 128.826 119.914 0.160 0.000 2.327 367 V HA 0.516 4.636 4.120 -0.000 0.000 0.272 367 V C -2.478 173.686 176.094 0.117 0.000 1.019 367 V CA -1.155 61.219 62.300 0.124 0.000 0.814 367 V CB 0.955 32.952 31.823 0.290 0.000 1.040 367 V HN 0.622 nan 8.190 nan 0.000 0.440 368 P HA 0.545 nan 4.420 nan 0.000 0.296 368 P C -1.294 176.079 177.300 0.122 0.000 1.301 368 P CA -0.596 62.616 63.100 0.186 0.000 0.862 368 P CB 1.150 33.022 31.700 0.286 0.000 1.046 369 Y N -0.034 120.389 120.300 0.205 0.000 2.519 369 Y HA 0.569 5.119 4.550 -0.000 0.000 0.324 369 Y C 1.878 177.837 175.900 0.098 0.000 1.214 369 Y CA 0.090 58.289 58.100 0.166 0.000 1.260 369 Y CB 0.999 39.571 38.460 0.186 0.000 1.311 369 Y HN 0.489 nan 8.280 nan 0.000 0.505 370 G N -0.344 108.512 108.800 0.093 0.000 3.453 370 G HA2 0.000 3.960 3.960 -0.000 0.000 0.263 370 G HA3 0.000 3.960 3.960 -0.000 0.000 0.263 370 G C -0.543 174.258 174.900 -0.165 0.000 1.060 370 G CA -0.080 44.970 45.100 -0.083 0.000 0.793 370 G HN 0.498 nan 8.290 nan 0.000 0.532 371 D N 1.094 121.398 120.400 -0.160 0.000 2.249 371 D HA 0.218 4.858 4.640 -0.000 0.000 0.246 371 D C -1.400 174.750 176.300 -0.250 0.000 1.114 371 D CA -1.783 51.932 54.000 -0.474 0.000 0.854 371 D CB 2.898 43.404 40.800 -0.491 0.000 1.132 371 D HN 0.026 nan 8.370 nan 0.000 0.461 372 P HA 0.022 nan 4.420 nan 0.000 0.240 372 P C -0.204 177.124 177.300 0.046 0.000 1.190 372 P CA -0.055 62.979 63.100 -0.109 0.000 0.781 372 P CB 0.597 32.189 31.700 -0.180 0.000 0.931 373 D N 0.753 121.174 120.400 0.035 0.000 2.390 373 D HA -0.039 4.601 4.640 -0.000 0.000 0.236 373 D C 1.956 178.453 176.300 0.328 0.000 1.189 373 D CA 0.005 54.107 54.000 0.169 0.000 0.887 373 D CB 0.571 41.479 40.800 0.179 0.000 1.198 373 D HN 0.100 nan 8.370 nan 0.000 0.444 374 I N -1.384 119.371 120.570 0.307 0.000 2.185 374 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 374 I C 1.744 178.020 176.117 0.265 0.000 1.088 374 I CA 1.869 63.394 61.300 0.376 0.000 1.347 374 I CB -0.627 37.514 38.000 0.235 0.000 1.041 374 I HN 0.318 nan 8.210 nan 0.000 0.415 375 G N -0.854 108.033 108.800 0.146 0.000 2.848 375 G HA2 0.002 3.962 3.960 -0.000 0.000 0.208 375 G HA3 0.002 3.962 3.960 -0.000 0.000 0.208 375 G C 0.743 175.215 174.900 -0.713 0.000 1.152 375 G CA 0.074 45.086 45.100 -0.147 0.000 0.789 375 G HN 0.652 nan 8.290 nan 0.000 0.531 376 W N -1.658 119.421 121.300 -0.368 0.000 3.336 376 W HA 0.190 4.850 4.660 -0.000 0.000 0.221 376 W C 1.993 178.207 176.519 -0.508 0.000 1.086 376 W CA -0.237 56.792 57.345 -0.525 0.000 1.457 376 W CB -0.373 28.930 29.460 -0.262 0.000 0.756 376 W HN 0.189 nan 8.180 nan 0.000 0.783 377 Y N 1.034 121.310 120.300 -0.040 0.000 2.283 377 Y HA -0.299 4.251 4.550 -0.000 0.000 0.285 377 Y C 1.626 177.594 175.900 0.113 0.000 1.176 377 Y CA 1.486 59.602 58.100 0.027 0.000 1.229 377 Y CB -1.787 36.669 38.460 -0.007 0.000 0.975 377 Y HN 0.103 nan 8.280 nan 0.000 0.537 378 F N -0.108 119.585 119.950 -0.428 0.000 2.746 378 F HA 0.413 4.940 4.527 -0.000 0.000 0.297 378 F C 0.540 176.288 175.800 -0.087 0.000 1.113 378 F CA -1.330 56.563 58.000 -0.178 0.000 1.367 378 F CB -0.510 38.217 39.000 -0.455 0.000 1.111 378 F HN -0.266 nan 8.300 nan 0.000 0.590 379 K N 2.421 122.445 120.400 -0.627 0.000 2.307 379 K HA 0.435 4.755 4.320 -0.000 0.000 0.285 379 K C -0.233 176.190 176.600 -0.296 0.000 1.073 379 K CA 0.444 56.368 56.287 -0.606 0.000 0.996 379 K CB 0.225 32.282 32.500 -0.738 0.000 0.994 379 K HN 0.352 nan 8.250 nan 0.000 0.452 380 A N 4.754 127.358 122.820 -0.362 0.000 3.300 380 A HA 0.216 4.536 4.320 -0.000 0.000 0.300 380 A C -1.145 176.398 177.584 -0.069 0.000 1.099 380 A CA -0.703 51.254 52.037 -0.134 0.000 0.846 380 A CB 0.065 19.039 19.000 -0.043 0.000 1.255 380 A HN 0.666 nan 8.150 nan 0.000 0.519 381 Y N 1.126 121.576 120.300 0.250 0.000 2.605 381 Y HA 0.210 4.760 4.550 -0.000 0.000 0.336 381 Y C 0.669 176.720 175.900 0.252 0.000 1.111 381 Y CA 0.066 58.339 58.100 0.288 0.000 1.422 381 Y CB 0.468 39.108 38.460 0.299 0.000 1.193 381 Y HN 0.453 nan 8.280 nan 0.000 0.526 382 L N 4.940 126.397 121.223 0.390 0.000 2.512 382 L HA 0.118 4.458 4.340 -0.000 0.000 0.247 382 L C 0.550 177.612 176.870 0.320 0.000 1.204 382 L CA -0.325 54.674 54.840 0.264 0.000 1.153 382 L CB -0.016 42.129 42.059 0.144 0.000 1.415 382 L HN 0.736 nan 8.230 nan 0.000 0.406 383 D N 0.447 121.076 120.400 0.382 0.000 2.192 383 D HA -0.266 4.374 4.640 -0.000 0.000 0.189 383 D C 2.148 178.645 176.300 0.328 0.000 1.007 383 D CA 2.212 56.456 54.000 0.406 0.000 0.859 383 D CB 0.068 41.067 40.800 0.332 0.000 0.936 383 D HN 0.557 nan 8.370 nan 0.000 0.447 384 S N -0.606 115.218 115.700 0.206 0.000 2.362 384 S HA 0.020 4.490 4.470 -0.000 0.000 0.221 384 S C 2.259 176.880 174.600 0.036 0.000 1.032 384 S CA 1.131 59.414 58.200 0.139 0.000 0.973 384 S CB -0.750 62.505 63.200 0.093 0.000 0.849 384 S HN 0.284 nan 8.310 nan 0.000 0.465 385 G N 1.340 110.124 108.800 -0.027 0.000 2.408 385 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 385 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 385 G C 1.042 175.876 174.900 -0.109 0.000 1.150 385 G CA 0.990 46.003 45.100 -0.144 0.000 0.776 385 G HN 0.513 nan 8.290 nan 0.000 0.542 386 D N -1.484 118.878 120.400 -0.064 0.000 2.355 386 D HA 0.131 4.771 4.640 -0.000 0.000 0.206 386 D C 1.174 177.226 176.300 -0.413 0.000 1.010 386 D CA 0.369 54.228 54.000 -0.236 0.000 0.875 386 D CB 0.244 40.866 40.800 -0.296 0.000 0.966 386 D HN 0.435 nan 8.370 nan 0.000 0.512 387 Y N -0.343 120.030 120.300 0.122 0.000 2.452 387 Y HA 0.349 4.899 4.550 -0.000 0.000 0.262 387 Y C 1.068 177.049 175.900 0.135 0.000 1.089 387 Y CA 0.125 58.323 58.100 0.163 0.000 1.262 387 Y CB 1.012 39.594 38.460 0.203 0.000 1.236 387 Y HN -0.099 nan 8.280 nan 0.000 0.512 388 G N 1.402 110.335 108.800 0.222 0.000 2.828 388 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.262 388 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.262 388 G C 0.477 175.514 174.900 0.229 0.000 1.033 388 G CA 0.237 45.441 45.100 0.174 0.000 1.248 388 G HN 0.238 nan 8.290 nan 0.000 0.551 389 M N 0.894 120.654 119.600 0.268 0.000 2.159 389 M HA -0.015 4.465 4.480 -0.000 0.000 0.263 389 M C 2.797 179.401 176.300 0.506 0.000 1.063 389 M CA 2.291 57.820 55.300 0.381 0.000 1.110 389 M CB -0.238 32.652 32.600 0.484 0.000 1.374 389 M HN 0.636 nan 8.290 nan 0.000 0.411 390 G N -0.185 108.844 108.800 0.383 0.000 2.421 390 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 390 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 390 G C 1.464 176.521 174.900 0.262 0.000 1.171 390 G CA 1.522 46.804 45.100 0.303 0.000 0.775 390 G HN 0.362 nan 8.290 nan 0.000 0.543 391 T N 1.168 115.838 114.554 0.193 0.000 2.788 391 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 391 T C 2.006 176.798 174.700 0.153 0.000 1.044 391 T CA 0.634 62.826 62.100 0.154 0.000 1.139 391 T CB -0.154 68.797 68.868 0.139 0.000 0.867 391 T HN 0.120 nan 8.240 nan 0.000 0.454 392 L N 1.633 122.961 121.223 0.174 0.000 2.645 392 L HA 0.129 4.469 4.340 -0.000 0.000 0.234 392 L C 0.585 177.530 176.870 0.126 0.000 1.165 392 L CA -0.254 54.661 54.840 0.125 0.000 0.944 392 L CB -0.690 41.438 42.059 0.114 0.000 1.149 392 L HN 0.112 nan 8.230 nan 0.000 0.446 393 T N 0.172 114.851 114.554 0.209 0.000 2.933 393 T HA -0.036 4.314 4.350 -0.000 0.000 0.306 393 T C 0.636 175.385 174.700 0.081 0.000 1.045 393 T CA 0.398 62.625 62.100 0.212 0.000 1.143 393 T CB 0.492 69.596 68.868 0.392 0.000 1.003 393 T HN 0.149 nan 8.240 nan 0.000 0.540 394 S N 5.410 121.106 115.700 -0.006 0.000 2.420 394 S HA 0.338 4.808 4.470 -0.000 0.000 0.313 394 S C -2.249 172.358 174.600 0.012 0.000 1.079 394 S CA -1.202 56.989 58.200 -0.015 0.000 1.104 394 S CB 0.985 64.144 63.200 -0.068 0.000 0.969 394 S HN 0.456 nan 8.310 nan 0.000 0.471 395 P HA 0.010 nan 4.420 nan 0.000 0.261 395 P C -0.240 177.076 177.300 0.027 0.000 1.173 395 P CA -0.058 63.066 63.100 0.041 0.000 0.760 395 P CB 0.204 31.921 31.700 0.028 0.000 0.783 396 I N 2.563 123.159 120.570 0.044 0.000 2.741 396 I HA -0.030 4.139 4.170 -0.000 0.000 0.288 396 I C 1.012 177.136 176.117 0.012 0.000 1.192 396 I CA -0.018 61.303 61.300 0.034 0.000 1.426 396 I CB -0.368 37.669 38.000 0.061 0.000 1.367 396 I HN 0.366 nan 8.210 nan 0.000 0.563 397 A N 8.020 130.839 122.820 -0.001 0.000 2.539 397 A HA 0.175 4.495 4.320 -0.000 0.000 0.306 397 A C 0.880 178.455 177.584 -0.015 0.000 1.392 397 A CA -0.481 51.550 52.037 -0.009 0.000 1.060 397 A CB -0.241 18.752 19.000 -0.012 0.000 1.134 397 A HN 0.777 nan 8.150 nan 0.000 0.542 398 R N 1.791 122.283 120.500 -0.014 0.000 2.500 398 R HA 0.109 4.449 4.340 -0.000 0.000 0.281 398 R C 1.490 177.774 176.300 -0.026 0.000 0.953 398 R CA 1.790 57.878 56.100 -0.019 0.000 1.108 398 R CB -0.009 30.280 30.300 -0.017 0.000 0.901 398 R HN 1.568 nan 8.270 nan 0.000 0.410 399 G N 3.186 111.961 108.800 -0.041 0.000 2.328 399 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.256 399 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.256 399 G C 0.773 175.642 174.900 -0.051 0.000 1.014 399 G CA 0.803 45.877 45.100 -0.044 0.000 0.620 399 G HN 0.651 nan 8.290 nan 0.000 0.530 400 K N -0.614 119.760 120.400 -0.043 0.000 2.266 400 K HA 0.153 4.473 4.320 -0.000 0.000 0.209 400 K C 1.480 178.056 176.600 -0.039 0.000 1.065 400 K CA 0.535 56.801 56.287 -0.036 0.000 0.946 400 K CB -0.007 32.481 32.500 -0.021 0.000 1.069 400 K HN 0.108 nan 8.250 nan 0.000 0.472 401 D N 0.790 121.170 120.400 -0.034 0.000 2.312 401 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 401 D C 0.027 176.304 176.300 -0.038 0.000 0.964 401 D CA 0.561 54.550 54.000 -0.018 0.000 0.877 401 D CB 0.371 41.167 40.800 -0.007 0.000 0.924 401 D HN 0.197 nan 8.370 nan 0.000 0.515 402 A N 0.270 123.019 122.820 -0.118 0.000 2.572 402 A HA 0.542 4.862 4.320 -0.000 0.000 0.295 402 A C -2.707 174.664 177.584 -0.355 0.000 1.072 402 A CA -1.326 50.518 52.037 -0.323 0.000 0.691 402 A CB 1.619 20.454 19.000 -0.274 0.000 1.291 402 A HN -0.224 nan 8.150 nan 0.000 0.404 403 P HA 0.046 nan 4.420 nan 0.000 0.269 403 P C 0.908 178.101 177.300 -0.178 0.000 1.215 403 P CA 0.548 63.455 63.100 -0.322 0.000 0.780 403 P CB 0.833 32.318 31.700 -0.358 0.000 0.898 404 S N 0.650 116.306 115.700 -0.073 0.000 2.493 404 S HA -0.164 4.306 4.470 -0.000 0.000 0.243 404 S C 1.213 175.835 174.600 0.038 0.000 0.991 404 S CA 0.936 59.131 58.200 -0.009 0.000 0.957 404 S CB -1.084 62.127 63.200 0.018 0.000 0.756 404 S HN 0.664 nan 8.310 nan 0.000 0.521 405 N N 1.721 120.446 118.700 0.043 0.000 2.276 405 N HA 0.301 5.041 4.740 -0.000 0.000 0.212 405 N C 0.107 175.714 175.510 0.161 0.000 1.127 405 N CA 0.195 53.312 53.050 0.112 0.000 0.834 405 N CB 0.042 38.603 38.487 0.124 0.000 1.014 405 N HN 0.471 nan 8.380 nan 0.000 0.491 406 A N 0.351 123.238 122.820 0.112 0.000 2.286 406 A HA 0.563 4.883 4.320 -0.000 0.000 0.286 406 A C -0.216 177.492 177.584 0.206 0.000 1.097 406 A CA -0.528 51.627 52.037 0.197 0.000 0.821 406 A CB 1.125 20.173 19.000 0.080 0.000 1.076 406 A HN 0.064 nan 8.150 nan 0.000 0.490 407 V N 2.392 122.464 119.914 0.263 0.000 2.370 407 V HA 0.307 4.427 4.120 -0.000 0.000 0.283 407 V C -0.276 175.942 176.094 0.206 0.000 1.023 407 V CA -0.190 62.263 62.300 0.256 0.000 0.857 407 V CB 1.017 33.041 31.823 0.336 0.000 0.985 407 V HN 0.666 nan 8.190 nan 0.000 0.443 408 L N 6.395 127.718 121.223 0.166 0.000 2.272 408 L HA 0.558 4.898 4.340 -0.000 0.000 0.289 408 L C -0.454 176.491 176.870 0.124 0.000 1.032 408 L CA -0.368 54.548 54.840 0.126 0.000 0.810 408 L CB 1.211 43.314 42.059 0.072 0.000 1.205 408 L HN 0.395 nan 8.230 nan 0.000 0.422 409 L N 3.518 124.815 121.223 0.124 0.000 2.325 409 L HA 0.440 4.780 4.340 -0.000 0.000 0.279 409 L C -0.068 176.837 176.870 0.058 0.000 1.054 409 L CA -0.678 54.225 54.840 0.105 0.000 0.804 409 L CB 1.252 43.374 42.059 0.105 0.000 1.200 409 L HN 0.592 nan 8.230 nan 0.000 0.436 410 N N 2.182 120.896 118.700 0.023 0.000 2.473 410 N HA 0.383 5.123 4.740 -0.000 0.000 0.291 410 N C -0.737 174.777 175.510 0.006 0.000 1.083 410 N CA -0.500 52.556 53.050 0.010 0.000 0.951 410 N CB 1.936 40.413 38.487 -0.017 0.000 1.164 410 N HN 0.491 nan 8.380 nan 0.000 0.480 411 E N 0.543 120.750 120.200 0.013 0.000 2.317 411 E HA 0.416 4.766 4.350 -0.000 0.000 0.270 411 E C -0.783 175.817 176.600 -0.000 0.000 0.885 411 E CA -0.569 55.829 56.400 -0.004 0.000 0.760 411 E CB 2.215 31.909 29.700 -0.009 0.000 1.227 411 E HN 0.337 nan 8.360 nan 0.000 0.434 412 T N 2.617 117.163 114.554 -0.014 0.000 2.829 412 T HA 0.717 5.067 4.350 -0.000 0.000 0.280 412 T C 0.313 175.005 174.700 -0.013 0.000 0.999 412 T CA -0.562 61.532 62.100 -0.010 0.000 0.983 412 T CB 0.577 69.434 68.868 -0.017 0.000 0.968 412 T HN 0.454 nan 8.240 nan 0.000 0.446 413 I N -0.745 119.824 120.570 -0.002 0.000 3.354 413 I HA 0.976 5.146 4.170 -0.000 0.000 0.316 413 I C -0.969 175.147 176.117 -0.001 0.000 1.182 413 I CA -1.875 59.426 61.300 0.001 0.000 0.942 413 I CB 1.812 39.824 38.000 0.020 0.000 1.299 413 I HN 0.623 nan 8.210 nan 0.000 0.473 414 A N 1.797 124.617 122.820 0.001 0.000 2.312 414 A HA 0.617 4.937 4.320 -0.000 0.000 0.326 414 A C -0.683 176.919 177.584 0.030 0.000 1.172 414 A CA -0.441 51.588 52.037 -0.014 0.000 0.821 414 A CB 0.537 19.507 19.000 -0.049 0.000 1.166 414 A HN 0.853 nan 8.150 nan 0.000 0.493 415 D N 0.329 120.739 120.400 0.017 0.000 2.447 415 D HA 0.063 4.703 4.640 -0.000 0.000 0.265 415 D C 0.724 177.096 176.300 0.120 0.000 1.250 415 D CA 0.059 54.105 54.000 0.075 0.000 1.046 415 D CB -0.097 40.723 40.800 0.033 0.000 1.095 415 D HN 0.650 nan 8.370 nan 0.000 0.555 416 Y N -2.641 117.738 120.300 0.131 0.000 2.616 416 Y HA 0.066 4.616 4.550 -0.000 0.000 0.296 416 Y C 1.558 177.641 175.900 0.304 0.000 1.154 416 Y CA 0.902 59.120 58.100 0.197 0.000 1.325 416 Y CB -0.655 37.890 38.460 0.143 0.000 1.007 416 Y HN 0.339 nan 8.280 nan 0.000 0.542 417 T N -3.937 110.437 114.554 -0.300 0.000 3.069 417 T HA 0.466 4.816 4.350 -0.000 0.000 0.252 417 T C 1.509 176.253 174.700 0.074 0.000 1.053 417 T CA 0.176 62.231 62.100 -0.073 0.000 0.964 417 T CB -0.083 68.609 68.868 -0.293 0.000 1.005 417 T HN 0.788 nan 8.240 nan 0.000 0.532 418 G N 0.760 109.498 108.800 -0.102 0.000 2.157 418 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 418 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 418 G C -0.048 174.684 174.900 -0.280 0.000 0.979 418 G CA -0.094 44.709 45.100 -0.496 0.000 0.650 418 G HN 0.700 nan 8.290 nan 0.000 0.529 419 V N 1.671 121.487 119.914 -0.163 0.000 2.439 419 V HA 0.439 4.559 4.120 -0.000 0.000 0.282 419 V C -1.427 174.618 176.094 -0.083 0.000 1.039 419 V CA -1.664 60.567 62.300 -0.115 0.000 0.913 419 V CB 1.545 33.314 31.823 -0.090 0.000 0.983 419 V HN 0.088 nan 8.190 nan 0.000 0.460 420 P HA 0.055 nan 4.420 nan 0.000 0.264 420 P C -0.515 176.767 177.300 -0.030 0.000 1.179 420 P CA 0.339 63.410 63.100 -0.049 0.000 0.763 420 P CB 0.295 31.967 31.700 -0.046 0.000 0.806 421 M N 2.313 121.904 119.600 -0.016 0.000 2.149 421 M HA 0.236 4.716 4.480 -0.000 0.000 0.273 421 M C -0.917 175.387 176.300 0.007 0.000 0.972 421 M CA -0.463 54.837 55.300 0.001 0.000 0.984 421 M CB 1.342 33.952 32.600 0.017 0.000 1.699 421 M HN 0.221 nan 8.290 nan 0.000 0.462 422 E N 5.852 126.055 120.200 0.004 0.000 2.115 422 E HA 0.369 4.719 4.350 -0.000 0.000 0.282 422 E C -1.224 175.386 176.600 0.018 0.000 0.987 422 E CA -0.510 55.894 56.400 0.006 0.000 0.797 422 E CB 0.961 30.659 29.700 -0.005 0.000 1.086 422 E HN 0.765 nan 8.360 nan 0.000 0.397 423 I N 8.111 128.699 120.570 0.030 0.000 2.322 423 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 423 I C -1.882 174.259 176.117 0.040 0.000 1.060 423 I CA -2.026 59.303 61.300 0.048 0.000 1.309 423 I CB 0.664 38.713 38.000 0.082 0.000 1.415 423 I HN 0.353 nan 8.210 nan 0.000 0.492 424 P HA 0.097 nan 4.420 nan 0.000 0.276 424 P C -0.476 176.843 177.300 0.033 0.000 1.230 424 P CA -0.255 62.854 63.100 0.015 0.000 0.776 424 P CB 0.638 32.339 31.700 0.001 0.000 0.888 425 R N 1.326 121.845 120.500 0.031 0.000 3.322 425 R HA -0.225 4.115 4.340 -0.000 0.000 0.253 425 R C 1.118 177.475 176.300 0.094 0.000 0.987 425 R CA 0.468 56.600 56.100 0.053 0.000 0.666 425 R CB -2.546 27.774 30.300 0.033 0.000 1.072 425 R HN 0.609 nan 8.270 nan 0.000 0.447 426 A N 0.365 123.253 122.820 0.113 0.000 1.930 426 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 426 A C 1.079 178.827 177.584 0.274 0.000 1.175 426 A CA 0.923 53.073 52.037 0.187 0.000 0.627 426 A CB 0.273 19.369 19.000 0.160 0.000 0.815 426 A HN 0.386 nan 8.150 nan 0.000 0.443 427 I N -1.099 119.590 120.570 0.197 0.000 2.582 427 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 427 I C -0.303 175.923 176.117 0.180 0.000 1.066 427 I CA -0.748 60.680 61.300 0.214 0.000 1.053 427 I CB 2.189 40.266 38.000 0.127 0.000 1.241 427 I HN 0.111 nan 8.210 nan 0.000 0.421 428 A N 6.019 128.975 122.820 0.226 0.000 2.288 428 A HA 0.769 5.089 4.320 -0.000 0.000 0.320 428 A C -0.767 176.967 177.584 0.251 0.000 1.217 428 A CA -0.477 51.712 52.037 0.254 0.000 0.840 428 A CB 1.073 20.259 19.000 0.311 0.000 1.179 428 A HN 0.436 nan 8.150 nan 0.000 0.504 429 V N 3.755 123.778 119.914 0.181 0.000 2.409 429 V HA 0.705 4.825 4.120 -0.000 0.000 0.291 429 V C -0.901 175.256 176.094 0.105 0.000 1.020 429 V CA -0.246 62.029 62.300 -0.040 0.000 0.848 429 V CB 0.395 32.047 31.823 -0.286 0.000 0.990 429 V HN 0.845 nan 8.190 nan 0.000 0.430 430 F N 1.322 121.181 119.950 -0.152 0.000 2.641 430 F HA 0.708 5.235 4.527 -0.000 0.000 0.308 430 F C -0.744 175.005 175.800 -0.086 0.000 1.105 430 F CA -1.186 56.794 58.000 -0.033 0.000 0.964 430 F CB 1.519 40.535 39.000 0.027 0.000 1.294 430 F HN 0.448 nan 8.300 nan 0.000 0.442 431 E N 2.695 123.001 120.200 0.177 0.000 2.231 431 E HA 0.637 4.987 4.350 -0.000 0.000 0.277 431 E C -0.952 175.761 176.600 0.189 0.000 0.999 431 E CA -0.869 55.570 56.400 0.066 0.000 0.827 431 E CB 1.333 31.170 29.700 0.230 0.000 1.101 431 E HN 0.863 nan 8.360 nan 0.000 0.393 432 R N 2.769 123.340 120.500 0.119 0.000 2.707 432 R HA 0.229 4.569 4.340 -0.000 0.000 0.272 432 R C -1.484 174.900 176.300 0.141 0.000 1.011 432 R CA -0.962 55.241 56.100 0.172 0.000 0.893 432 R CB 0.539 30.955 30.300 0.193 0.000 1.233 432 R HN 0.515 nan 8.270 nan 0.000 0.464 433 Y N 1.657 121.990 120.300 0.056 0.000 2.465 433 Y HA 0.407 4.957 4.550 -0.000 0.000 0.331 433 Y C -0.417 175.484 175.900 0.001 0.000 1.102 433 Y CA 0.153 58.272 58.100 0.031 0.000 1.358 433 Y CB 1.126 39.600 38.460 0.023 0.000 1.213 433 Y HN 0.813 nan 8.280 nan 0.000 0.525 434 A N 5.794 128.225 122.820 -0.649 0.000 2.956 434 A HA 0.612 4.932 4.320 -0.000 0.000 0.294 434 A C 0.722 177.929 177.584 -0.628 0.000 0.993 434 A CA 0.065 51.791 52.037 -0.518 0.000 1.032 434 A CB -0.913 17.903 19.000 -0.306 0.000 1.129 434 A HN 1.697 nan 8.150 nan 0.000 0.505 435 G N 0.972 109.089 108.800 -1.138 0.000 2.796 435 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.226 435 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.226 435 G C -2.796 171.869 174.900 -0.393 0.000 1.381 435 G CA -0.388 44.366 45.100 -0.577 0.000 0.867 435 G HN 0.539 nan 8.290 nan 0.000 0.552 436 P HA 0.245 nan 4.420 nan 0.000 0.276 436 P C 0.474 177.721 177.300 -0.088 0.000 1.235 436 P CA 0.141 63.208 63.100 -0.055 0.000 0.772 436 P CB 1.702 33.411 31.700 0.014 0.000 0.871 437 E N 4.464 124.577 120.200 -0.145 0.000 2.077 437 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 437 E C -0.013 176.582 176.600 -0.008 0.000 0.989 437 E CA 1.732 58.054 56.400 -0.130 0.000 0.800 437 E CB -0.367 29.181 29.700 -0.254 0.000 0.746 437 E HN 0.587 nan 8.360 nan 0.000 0.452 438 Y N -2.892 117.415 120.300 0.012 0.000 2.620 438 Y HA 0.619 5.169 4.550 -0.000 0.000 0.331 438 Y C -1.269 174.649 175.900 0.031 0.000 1.173 438 Y CA -1.778 56.331 58.100 0.015 0.000 1.076 438 Y CB 0.550 39.013 38.460 0.004 0.000 1.336 438 Y HN -0.127 nan 8.280 nan 0.000 0.459 439 K N 1.641 122.246 120.400 0.342 0.000 2.557 439 K HA 0.526 4.846 4.320 -0.000 0.000 0.261 439 K C -2.597 174.148 176.600 0.242 0.000 0.932 439 K CA -0.822 55.618 56.287 0.255 0.000 0.829 439 K CB 1.997 34.578 32.500 0.137 0.000 1.358 439 K HN 1.029 nan 8.250 nan 0.000 0.430 440 H N 2.256 121.380 119.070 0.091 0.000 3.240 440 H HA 0.208 4.764 4.556 -0.000 0.000 0.326 440 H C -1.591 173.758 175.328 0.034 0.000 1.015 440 H CA -0.319 55.755 56.048 0.042 0.000 1.504 440 H CB 1.607 31.376 29.762 0.010 0.000 1.754 440 H HN 0.525 nan 8.280 nan 0.000 0.505 441 Q N 3.647 123.162 119.800 -0.475 0.000 2.810 441 Q HA 0.191 4.531 4.340 -0.000 0.000 0.236 441 Q C -0.598 175.064 176.000 -0.564 0.000 1.278 441 Q CA -0.615 54.959 55.803 -0.381 0.000 1.065 441 Q CB 0.140 28.777 28.738 -0.167 0.000 1.364 441 Q HN 0.598 nan 8.270 nan 0.000 0.570 442 E N 2.578 122.368 120.200 -0.683 0.000 2.465 442 E HA -0.037 4.312 4.350 -0.000 0.000 0.260 442 E C -0.496 176.021 176.600 -0.138 0.000 0.980 442 E CA 0.131 56.338 56.400 -0.322 0.000 0.927 442 E CB 0.388 30.068 29.700 -0.034 0.000 0.934 442 E HN 0.719 nan 8.360 nan 0.000 0.459 443 M N 4.597 124.155 119.600 -0.069 0.000 2.260 443 M HA 0.100 4.580 4.480 -0.000 0.000 0.348 443 M C 1.037 177.322 176.300 -0.026 0.000 1.342 443 M CA 1.742 57.018 55.300 -0.040 0.000 1.040 443 M CB -0.079 32.512 32.600 -0.015 0.000 1.810 443 M HN 0.832 nan 8.290 nan 0.000 0.453 444 G N 2.540 111.325 108.800 -0.026 0.000 2.168 444 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.263 444 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.263 444 G C -0.194 174.695 174.900 -0.017 0.000 0.977 444 G CA 0.145 45.235 45.100 -0.017 0.000 0.659 444 G HN 0.645 nan 8.290 nan 0.000 0.533 445 Q N -0.381 119.403 119.800 -0.027 0.000 2.359 445 Q HA 0.541 4.881 4.340 -0.000 0.000 0.275 445 Q C -2.651 173.332 176.000 -0.028 0.000 1.082 445 Q CA -1.974 53.816 55.803 -0.022 0.000 0.849 445 Q CB 1.259 29.988 28.738 -0.016 0.000 1.377 445 Q HN 0.138 nan 8.270 nan 0.000 0.452 446 P HA 0.004 nan 4.420 nan 0.000 0.268 446 P C -0.074 177.215 177.300 -0.019 0.000 1.204 446 P CA -0.086 63.006 63.100 -0.013 0.000 0.768 446 P CB 0.494 32.193 31.700 -0.002 0.000 0.842 447 N N 2.178 120.865 118.700 -0.021 0.000 2.453 447 N HA 0.052 4.792 4.740 -0.000 0.000 0.253 447 N C -1.154 174.365 175.510 0.015 0.000 1.252 447 N CA 0.177 53.213 53.050 -0.023 0.000 0.917 447 N CB 0.492 38.968 38.487 -0.018 0.000 1.117 447 N HN 0.026 nan 8.380 nan 0.000 0.442 448 V N 1.989 121.927 119.914 0.040 0.000 2.380 448 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 448 V C -0.718 175.463 176.094 0.145 0.000 1.015 448 V CA -0.529 61.834 62.300 0.105 0.000 0.834 448 V CB 1.128 33.036 31.823 0.142 0.000 1.009 448 V HN 0.651 nan 8.190 nan 0.000 0.428 449 S N 2.723 118.484 115.700 0.102 0.000 2.548 449 S HA 0.802 5.272 4.470 -0.000 0.000 0.276 449 S C -0.256 174.322 174.600 -0.036 0.000 1.129 449 S CA -0.723 57.511 58.200 0.057 0.000 0.931 449 S CB 2.295 65.518 63.200 0.038 0.000 1.068 449 S HN 0.901 nan 8.310 nan 0.000 0.480 450 T N -0.543 113.892 114.554 -0.199 0.000 2.893 450 T HA 0.638 4.988 4.350 -0.000 0.000 0.293 450 T C -0.766 173.811 174.700 -0.206 0.000 1.027 450 T CA -1.017 60.916 62.100 -0.279 0.000 0.988 450 T CB 1.392 69.911 68.868 -0.582 0.000 1.043 450 T HN 0.666 nan 8.240 nan 0.000 0.461 451 E N 2.425 122.581 120.200 -0.073 0.000 2.313 451 E HA 0.353 4.703 4.350 -0.000 0.000 0.272 451 E C -0.187 176.380 176.600 -0.056 0.000 1.038 451 E CA -1.076 55.336 56.400 0.021 0.000 0.863 451 E CB 1.386 31.233 29.700 0.245 0.000 1.060 451 E HN 0.706 nan 8.360 nan 0.000 0.402 452 R N 1.977 122.400 120.500 -0.128 0.000 2.357 452 R HA 0.214 4.554 4.340 -0.000 0.000 0.296 452 R C -0.719 175.546 176.300 -0.060 0.000 1.052 452 R CA -0.571 55.465 56.100 -0.107 0.000 0.988 452 R CB 0.706 30.917 30.300 -0.149 0.000 1.025 452 R HN 0.465 nan 8.270 nan 0.000 0.469 453 R N 3.125 123.667 120.500 0.070 0.000 2.534 453 R HA 0.313 4.653 4.340 -0.000 0.000 0.301 453 R C -1.003 175.473 176.300 0.292 0.000 0.961 453 R CA -0.664 55.558 56.100 0.202 0.000 0.871 453 R CB 1.941 32.449 30.300 0.346 0.000 1.170 453 R HN 0.757 nan 8.270 nan 0.000 0.446 454 E N 1.925 122.184 120.200 0.099 0.000 2.238 454 E HA 0.378 4.727 4.350 -0.000 0.000 0.267 454 E C -0.837 175.539 176.600 -0.373 0.000 0.887 454 E CA -1.163 55.176 56.400 -0.102 0.000 0.769 454 E CB 2.614 32.114 29.700 -0.333 0.000 1.187 454 E HN 0.067 nan 8.360 nan 0.000 0.416 455 L N 3.037 123.830 121.223 -0.717 0.000 2.280 455 L HA 0.344 4.684 4.340 -0.000 0.000 0.287 455 L C -1.346 175.168 176.870 -0.593 0.000 1.023 455 L CA -0.633 53.621 54.840 -0.977 0.000 0.819 455 L CB 1.383 42.458 42.059 -1.640 0.000 1.212 455 L HN 0.313 nan 8.230 nan 0.000 0.420 456 V N 5.780 125.245 119.914 -0.748 0.000 2.435 456 V HA 0.471 4.591 4.120 -0.000 0.000 0.290 456 V C -0.324 175.439 176.094 -0.552 0.000 1.030 456 V CA -0.747 61.124 62.300 -0.715 0.000 0.881 456 V CB 1.792 32.896 31.823 -1.199 0.000 0.983 456 V HN 0.454 nan 8.190 nan 0.000 0.445 457 V N 5.741 125.560 119.914 -0.158 0.000 2.293 457 V HA 0.444 4.564 4.120 -0.000 0.000 0.275 457 V C 0.210 176.429 176.094 0.208 0.000 1.021 457 V CA -0.507 61.810 62.300 0.027 0.000 0.815 457 V CB 1.016 32.906 31.823 0.111 0.000 1.025 457 V HN 0.862 nan 8.190 nan 0.000 0.448 458 R N 3.844 124.499 120.500 0.259 0.000 2.346 458 R HA 0.500 4.840 4.340 -0.000 0.000 0.311 458 R C -1.656 174.919 176.300 0.458 0.000 0.983 458 R CA -0.590 55.748 56.100 0.397 0.000 0.880 458 R CB 1.402 31.981 30.300 0.465 0.000 1.100 458 R HN 0.642 nan 8.270 nan 0.000 0.453 459 W N 6.986 128.464 121.300 0.297 0.000 2.781 459 W HA 0.484 5.144 4.660 -0.000 0.000 0.333 459 W C -1.827 174.878 176.519 0.311 0.000 1.047 459 W CA -0.777 56.728 57.345 0.268 0.000 1.236 459 W CB 1.045 30.659 29.460 0.257 0.000 1.394 459 W HN 0.417 nan 8.180 nan 0.000 0.466 460 I N 5.759 126.119 120.570 -0.350 0.000 2.406 460 I HA 0.361 4.530 4.170 -0.000 0.000 0.290 460 I C -0.066 175.618 176.117 -0.720 0.000 0.999 460 I CA -0.840 60.185 61.300 -0.457 0.000 1.124 460 I CB 1.840 39.726 38.000 -0.190 0.000 1.289 460 I HN 0.359 nan 8.210 nan 0.000 0.441 461 S N 3.884 119.179 115.700 -0.676 0.000 2.521 461 S HA 0.617 5.087 4.470 -0.000 0.000 0.295 461 S C -0.637 173.874 174.600 -0.147 0.000 1.098 461 S CA -0.317 57.641 58.200 -0.404 0.000 0.999 461 S CB 1.540 64.468 63.200 -0.453 0.000 1.034 461 S HN 0.576 nan 8.310 nan 0.000 0.483 462 T N 3.825 118.327 114.554 -0.087 0.000 2.786 462 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 462 T C -1.032 173.643 174.700 -0.041 0.000 0.992 462 T CA -0.465 61.574 62.100 -0.101 0.000 0.954 462 T CB 1.209 70.002 68.868 -0.124 0.000 0.934 462 T HN 0.453 nan 8.240 nan 0.000 0.440 463 V N 3.591 123.476 119.914 -0.050 0.000 2.325 463 V HA 0.700 4.820 4.120 -0.000 0.000 0.280 463 V C 1.020 177.020 176.094 -0.157 0.000 1.016 463 V CA 0.106 62.372 62.300 -0.055 0.000 0.818 463 V CB 0.313 32.147 31.823 0.018 0.000 1.019 463 V HN 1.242 nan 8.190 nan 0.000 0.434 464 G N 5.686 114.438 108.800 -0.080 0.000 2.543 464 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.286 464 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.286 464 G C 0.230 175.014 174.900 -0.194 0.000 1.153 464 G CA 0.414 45.512 45.100 -0.003 0.000 0.968 464 G HN 0.949 nan 8.290 nan 0.000 0.544 468 Y N 1.340 121.491 120.300 -0.248 0.000 2.377 468 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 468 Y C 0.148 175.756 175.900 -0.487 0.000 1.011 468 Y CA -0.847 57.037 58.100 -0.360 0.000 1.093 468 Y CB 1.269 39.660 38.460 -0.115 0.000 1.201 468 Y HN 0.247 nan 8.280 nan 0.000 0.455 469 I N 4.121 124.357 120.570 -0.556 0.000 2.378 469 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 469 I C -1.256 174.479 176.117 -0.637 0.000 0.992 469 I CA -0.648 60.379 61.300 -0.455 0.000 1.154 469 I CB 1.180 38.930 38.000 -0.416 0.000 1.315 469 I HN 0.372 nan 8.210 nan 0.000 0.448 470 F N 3.439 123.479 119.950 0.150 0.000 2.477 470 F HA 0.406 4.933 4.527 -0.000 0.000 0.335 470 F C -0.346 175.642 175.800 0.313 0.000 1.130 470 F CA -0.722 57.441 58.000 0.271 0.000 0.948 470 F CB 1.501 40.834 39.000 0.556 0.000 1.154 470 F HN 0.328 nan 8.300 nan 0.000 0.439 471 D N 2.697 123.252 120.400 0.258 0.000 2.408 471 D HA 0.220 4.860 4.640 -0.000 0.000 0.243 471 D C -1.323 174.890 176.300 -0.145 0.000 1.075 471 D CA -0.271 53.821 54.000 0.155 0.000 0.832 471 D CB 1.099 41.955 40.800 0.092 0.000 1.162 471 D HN 0.317 nan 8.370 nan 0.000 0.515 472 W N 3.231 124.474 121.300 -0.094 0.000 2.283 472 W HA 0.441 5.101 4.660 -0.000 0.000 0.317 472 W C 0.072 176.375 176.519 -0.360 0.000 1.042 472 W CA -0.599 56.577 57.345 -0.282 0.000 1.348 472 W CB 0.341 29.652 29.460 -0.248 0.000 1.216 472 W HN 0.166 nan 8.180 nan 0.000 0.404 473 I N 4.653 125.016 120.570 -0.346 0.000 2.307 473 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 473 I C -0.727 175.177 176.117 -0.355 0.000 1.021 473 I CA -0.830 60.294 61.300 -0.294 0.000 1.224 473 I CB 0.272 38.146 38.000 -0.209 0.000 1.376 473 I HN 0.070 nan 8.210 nan 0.000 0.470 474 F N 4.811 124.559 119.950 -0.337 0.000 2.391 474 F HA 0.364 4.891 4.527 -0.000 0.000 0.359 474 F C 0.870 176.764 175.800 0.156 0.000 1.122 474 F CA -0.424 57.379 58.000 -0.329 0.000 1.120 474 F CB 0.263 38.742 39.000 -0.869 0.000 1.142 474 F HN 0.397 nan 8.300 nan 0.000 0.483 475 H N 2.772 122.069 119.070 0.379 0.000 2.511 475 H HA 0.133 4.688 4.556 -0.000 0.000 0.346 475 H C 0.730 176.531 175.328 0.789 0.000 1.128 475 H CA -0.441 55.894 56.048 0.478 0.000 1.342 475 H CB 1.434 31.360 29.762 0.274 0.000 1.470 475 H HN 0.716 nan 8.280 nan 0.000 0.546 476 E N 1.407 122.011 120.200 0.674 0.000 2.160 476 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 476 E C 1.165 177.974 176.600 0.348 0.000 0.991 476 E CA 1.049 57.692 56.400 0.405 0.000 0.810 476 E CB -0.036 29.729 29.700 0.108 0.000 0.742 476 E HN 0.673 nan 8.360 nan 0.000 0.466 477 N N -0.655 118.231 118.700 0.311 0.000 2.501 477 N HA -0.021 4.719 4.740 -0.000 0.000 0.195 477 N C 1.082 176.638 175.510 0.077 0.000 1.213 477 N CA 0.489 53.607 53.050 0.113 0.000 0.864 477 N CB 0.605 39.139 38.487 0.080 0.000 0.999 477 N HN 0.138 nan 8.380 nan 0.000 0.454 478 G N -0.136 108.888 108.800 0.373 0.000 2.195 478 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 478 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 478 G C 0.125 175.403 174.900 0.631 0.000 0.984 478 G CA 0.300 45.626 45.100 0.377 0.000 0.633 478 G HN 0.430 nan 8.290 nan 0.000 0.525 479 T N 1.190 115.989 114.554 0.409 0.000 2.897 479 T HA 0.627 4.977 4.350 -0.000 0.000 0.294 479 T C 0.363 175.108 174.700 0.075 0.000 1.004 479 T CA 0.256 62.427 62.100 0.119 0.000 1.106 479 T CB 1.669 70.328 68.868 -0.348 0.000 0.949 479 T HN 0.331 nan 8.240 nan 0.000 0.520 480 I N 1.844 122.369 120.570 -0.075 0.000 2.436 480 I HA 0.539 4.709 4.170 -0.000 0.000 0.289 480 I C 0.609 176.543 176.117 -0.305 0.000 1.010 480 I CA -0.765 60.358 61.300 -0.295 0.000 1.098 480 I CB 1.919 39.650 38.000 -0.449 0.000 1.266 480 I HN 0.707 nan 8.210 nan 0.000 0.434 481 G N 6.539 115.166 108.800 -0.288 0.000 2.432 481 G HA2 0.829 4.789 3.960 -0.000 0.000 0.331 481 G HA3 0.829 4.789 3.960 -0.000 0.000 0.331 481 G C -0.900 173.729 174.900 -0.451 0.000 1.170 481 G CA -0.482 44.461 45.100 -0.262 0.000 0.943 481 G HN 0.507 nan 8.290 nan 0.000 0.483 482 I N 1.741 122.006 120.570 -0.508 0.000 2.476 482 I HA 0.245 4.415 4.170 -0.000 0.000 0.281 482 I C -1.366 174.457 176.117 -0.490 0.000 1.040 482 I CA -0.754 60.063 61.300 -0.805 0.000 1.094 482 I CB 2.004 39.190 38.000 -1.356 0.000 1.219 482 I HN 0.218 nan 8.210 nan 0.000 0.450 483 D N 5.053 125.278 120.400 -0.292 0.000 2.198 483 D HA 0.721 5.361 4.640 -0.000 0.000 0.247 483 D C -0.417 175.883 176.300 0.001 0.000 1.010 483 D CA -0.296 53.688 54.000 -0.027 0.000 0.880 483 D CB 2.391 43.283 40.800 0.152 0.000 1.209 483 D HN 0.549 nan 8.370 nan 0.000 0.451 484 A N 0.968 123.738 122.820 -0.085 0.000 2.340 484 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 484 A C 0.154 177.335 177.584 -0.671 0.000 1.195 484 A CA -0.678 51.026 52.037 -0.554 0.000 0.769 484 A CB 1.088 19.517 19.000 -0.952 0.000 1.163 484 A HN 0.479 nan 8.150 nan 0.000 0.472 485 G N 0.695 108.831 108.800 -1.107 0.000 2.410 485 G HA2 0.721 4.681 3.960 -0.000 0.000 0.330 485 G HA3 0.721 4.681 3.960 -0.000 0.000 0.330 485 G C -0.331 174.018 174.900 -0.918 0.000 1.142 485 G CA 0.021 44.155 45.100 -1.610 0.000 0.902 485 G HN 1.645 nan 8.290 nan 0.000 0.491 486 A N 0.839 123.218 122.820 -0.735 0.000 2.375 486 A HA 0.834 5.154 4.320 -0.000 0.000 0.295 486 A C -0.197 177.098 177.584 -0.481 0.000 1.066 486 A CA -0.293 51.453 52.037 -0.484 0.000 0.722 486 A CB 1.991 20.794 19.000 -0.328 0.000 1.206 486 A HN 1.063 nan 8.150 nan 0.000 0.435 487 T N 0.658 114.930 114.554 -0.470 0.000 2.590 487 T HA 0.896 5.246 4.350 -0.000 0.000 0.282 487 T C 0.404 174.871 174.700 -0.388 0.000 0.989 487 T CA 0.925 62.804 62.100 -0.368 0.000 1.091 487 T CB 1.065 69.737 68.868 -0.328 0.000 1.460 487 T HN 2.697 nan 8.240 nan 0.000 0.499 488 G N 0.475 109.058 108.800 -0.362 0.000 2.378 488 G HA2 0.089 4.049 3.960 -0.000 0.000 0.198 488 G HA3 0.089 4.049 3.960 -0.000 0.000 0.198 488 G C -1.643 172.989 174.900 -0.448 0.000 1.223 488 G CA -0.246 44.586 45.100 -0.446 0.000 1.088 488 G HN 0.818 nan 8.290 nan 0.000 0.530 489 I N 1.401 121.642 120.570 -0.548 0.000 2.404 489 I HA 0.437 4.607 4.170 -0.000 0.000 0.293 489 I C 0.599 176.530 176.117 -0.310 0.000 0.992 489 I CA -0.795 60.204 61.300 -0.502 0.000 1.149 489 I CB 1.181 38.698 38.000 -0.805 0.000 1.315 489 I HN 0.643 nan 8.210 nan 0.000 0.446 490 E N 3.186 123.403 120.200 0.029 0.000 2.373 490 E HA 0.356 4.706 4.350 -0.000 0.000 0.267 490 E C -0.107 176.583 176.600 0.150 0.000 1.032 490 E CA -0.398 56.087 56.400 0.141 0.000 0.889 490 E CB 1.213 31.068 29.700 0.258 0.000 0.984 490 E HN 0.703 nan 8.360 nan 0.000 0.425 491 A N 3.412 126.316 122.820 0.139 0.000 2.410 491 A HA 0.278 4.598 4.320 -0.000 0.000 0.292 491 A C 0.094 177.927 177.584 0.414 0.000 1.232 491 A CA -0.504 51.682 52.037 0.248 0.000 0.893 491 A CB -0.392 18.713 19.000 0.175 0.000 1.131 491 A HN 0.377 nan 8.150 nan 0.000 0.530 492 V N 0.644 120.808 119.914 0.417 0.000 2.975 492 V HA 0.741 4.861 4.120 -0.000 0.000 0.318 492 V C -0.158 176.250 176.094 0.523 0.000 1.077 492 V CA -1.069 61.413 62.300 0.303 0.000 1.000 492 V CB 1.597 33.392 31.823 -0.045 0.000 1.066 492 V HN 0.827 nan 8.190 nan 0.000 0.452 493 K N 1.475 122.060 120.400 0.309 0.000 2.292 493 K HA 0.676 4.996 4.320 -0.000 0.000 0.257 493 K C 0.077 176.775 176.600 0.162 0.000 0.940 493 K CA -0.282 56.220 56.287 0.359 0.000 0.811 493 K CB 1.569 34.103 32.500 0.057 0.000 1.120 493 K HN 1.206 nan 8.250 nan 0.000 0.428 494 G N 2.572 111.485 108.800 0.188 0.000 2.380 494 G HA2 0.428 4.388 3.960 -0.000 0.000 0.262 494 G HA3 0.428 4.388 3.960 -0.000 0.000 0.262 494 G C -0.505 174.445 174.900 0.083 0.000 1.243 494 G CA -0.365 44.808 45.100 0.121 0.000 0.865 494 G HN 0.507 nan 8.290 nan 0.000 0.513 495 V N 0.169 120.113 119.914 0.051 0.000 3.040 495 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 495 V C 0.736 176.850 176.094 0.035 0.000 1.115 495 V CA -1.157 61.162 62.300 0.031 0.000 0.998 495 V CB 2.178 34.001 31.823 -0.002 0.000 1.042 495 V HN 0.643 nan 8.190 nan 0.000 0.433 496 K N 1.249 121.665 120.400 0.028 0.000 2.228 496 K HA 0.310 4.630 4.320 -0.000 0.000 0.202 496 K C 0.986 177.603 176.600 0.028 0.000 1.051 496 K CA 1.145 57.450 56.287 0.029 0.000 0.960 496 K CB 0.166 32.680 32.500 0.023 0.000 0.743 496 K HN 0.941 nan 8.250 nan 0.000 0.458 497 A N 1.797 124.629 122.820 0.019 0.000 2.409 497 A HA 0.089 4.409 4.320 -0.000 0.000 0.262 497 A C 0.600 178.212 177.584 0.046 0.000 1.113 497 A CA -0.084 51.965 52.037 0.022 0.000 0.790 497 A CB 0.442 19.443 19.000 0.001 0.000 1.046 497 A HN 0.146 nan 8.150 nan 0.000 0.496 498 K N 0.474 120.914 120.400 0.068 0.000 2.242 498 K HA 0.063 4.383 4.320 -0.000 0.000 0.200 498 K C 0.753 177.491 176.600 0.230 0.000 1.050 498 K CA 1.378 57.755 56.287 0.149 0.000 0.981 498 K CB 0.175 32.695 32.500 0.032 0.000 0.795 498 K HN 0.886 nan 8.250 nan 0.000 0.477 499 T N -3.000 111.616 114.554 0.104 0.000 2.864 499 T HA 0.285 4.635 4.350 -0.000 0.000 0.289 499 T C 0.562 175.219 174.700 -0.073 0.000 1.082 499 T CA -0.875 61.248 62.100 0.038 0.000 1.009 499 T CB 1.248 70.155 68.868 0.065 0.000 1.234 499 T HN -0.272 nan 8.240 nan 0.000 0.526 500 M N 0.846 120.312 119.600 -0.223 0.000 2.659 500 M HA 0.076 4.556 4.480 -0.000 0.000 0.243 500 M C 0.892 177.035 176.300 -0.262 0.000 1.111 500 M CA 0.675 55.824 55.300 -0.251 0.000 1.070 500 M CB -1.305 31.129 32.600 -0.277 0.000 1.525 500 M HN 0.616 nan 8.290 nan 0.000 0.517 501 H N -0.776 118.300 119.070 0.010 0.000 2.551 501 H HA 0.247 4.803 4.556 -0.000 0.000 0.271 501 H C -0.242 175.087 175.328 0.003 0.000 0.984 501 H CA -0.127 55.924 56.048 0.005 0.000 1.164 501 H CB 0.265 30.033 29.762 0.009 0.000 1.437 501 H HN 0.216 nan 8.280 nan 0.000 0.550 502 D N 0.559 121.003 120.400 0.072 0.000 2.253 502 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 502 D C 1.291 177.605 176.300 0.024 0.000 1.049 502 D CA -0.310 53.718 54.000 0.047 0.000 0.929 502 D CB 1.518 42.337 40.800 0.032 0.000 1.176 502 D HN 0.166 nan 8.370 nan 0.000 0.437 503 E N 0.106 120.318 120.200 0.019 0.000 2.065 503 E HA -0.233 4.117 4.350 -0.000 0.000 0.201 503 E C 1.605 178.203 176.600 -0.003 0.000 1.016 503 E CA 2.015 58.420 56.400 0.009 0.000 0.818 503 E CB -0.150 29.555 29.700 0.008 0.000 0.749 503 E HN 0.592 nan 8.360 nan 0.000 0.453 504 T N -1.241 113.310 114.554 -0.003 0.000 3.085 504 T HA 0.201 4.551 4.350 -0.000 0.000 0.263 504 T C 1.951 176.635 174.700 -0.027 0.000 1.127 504 T CA 0.578 62.670 62.100 -0.013 0.000 1.103 504 T CB 0.014 68.879 68.868 -0.005 0.000 0.921 504 T HN 0.212 nan 8.240 nan 0.000 0.510 505 A N 2.530 125.334 122.820 -0.027 0.000 1.927 505 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 505 A C 2.410 179.954 177.584 -0.067 0.000 1.185 505 A CA 1.956 53.965 52.037 -0.047 0.000 0.639 505 A CB -0.772 18.198 19.000 -0.050 0.000 0.820 505 A HN 0.427 nan 8.150 nan 0.000 0.451 506 K N -0.388 119.975 120.400 -0.061 0.000 2.002 506 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 506 K C 1.496 178.033 176.600 -0.106 0.000 1.048 506 K CA 1.975 58.216 56.287 -0.078 0.000 0.930 506 K CB -0.455 32.009 32.500 -0.060 0.000 0.714 506 K HN 0.552 nan 8.250 nan 0.000 0.438 507 D N 0.789 121.136 120.400 -0.088 0.000 2.149 507 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 507 D C 1.497 177.728 176.300 -0.114 0.000 0.972 507 D CA 0.846 54.783 54.000 -0.105 0.000 0.835 507 D CB -0.142 40.623 40.800 -0.058 0.000 0.966 507 D HN 0.222 nan 8.370 nan 0.000 0.476 508 D N 0.228 120.579 120.400 -0.080 0.000 2.182 508 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 508 D C 1.869 178.104 176.300 -0.108 0.000 0.986 508 D CA 1.229 55.187 54.000 -0.071 0.000 0.847 508 D CB -0.248 40.522 40.800 -0.050 0.000 0.942 508 D HN 0.305 nan 8.370 nan 0.000 0.467 509 T N -2.566 111.906 114.554 -0.136 0.000 3.186 509 T HA 0.180 4.529 4.350 -0.000 0.000 0.257 509 T C 1.481 176.047 174.700 -0.223 0.000 1.029 509 T CA -0.446 61.560 62.100 -0.156 0.000 0.916 509 T CB 0.487 69.276 68.868 -0.131 0.000 1.041 509 T HN -0.016 nan 8.240 nan 0.000 0.562 510 R N 0.268 120.567 120.500 -0.336 0.000 2.120 510 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 510 R C 0.454 176.349 176.300 -0.676 0.000 1.123 510 R CA 1.387 57.141 56.100 -0.576 0.000 0.975 510 R CB -0.095 29.688 30.300 -0.862 0.000 0.866 510 R HN 0.558 nan 8.270 nan 0.000 0.446 511 Y N -1.498 118.713 120.300 -0.148 0.000 2.612 511 Y HA 0.484 5.034 4.550 -0.000 0.000 0.250 511 Y C 0.439 176.221 175.900 -0.197 0.000 1.175 511 Y CA 0.025 58.022 58.100 -0.171 0.000 1.205 511 Y CB 1.574 39.915 38.460 -0.198 0.000 1.201 511 Y HN 0.137 nan 8.280 nan 0.000 0.532 512 G N -0.898 107.842 108.800 -0.101 0.000 2.387 512 G HA2 0.347 4.307 3.960 -0.000 0.000 0.294 512 G HA3 0.347 4.307 3.960 -0.000 0.000 0.294 512 G C -1.233 173.587 174.900 -0.134 0.000 1.509 512 G CA -0.929 44.096 45.100 -0.125 0.000 0.806 512 G HN -0.197 nan 8.290 nan 0.000 0.546 513 T N 0.727 115.204 114.554 -0.128 0.000 2.897 513 T HA 0.358 4.708 4.350 -0.000 0.000 0.294 513 T C 0.326 174.944 174.700 -0.136 0.000 1.004 513 T CA -0.118 61.912 62.100 -0.118 0.000 1.106 513 T CB 1.423 70.235 68.868 -0.093 0.000 0.949 513 T HN 0.571 nan 8.240 nan 0.000 0.520 514 L N 5.547 126.694 121.223 -0.126 0.000 2.385 514 L HA 0.302 4.642 4.340 -0.000 0.000 0.285 514 L C 1.045 177.823 176.870 -0.154 0.000 1.125 514 L CA 0.102 54.858 54.840 -0.140 0.000 0.890 514 L CB -0.583 41.409 42.059 -0.111 0.000 1.251 514 L HN 0.714 nan 8.230 nan 0.000 0.445 515 I N -0.371 120.069 120.570 -0.217 0.000 3.728 515 I HA 0.382 4.552 4.170 -0.000 0.000 0.307 515 I C -0.056 175.905 176.117 -0.261 0.000 1.276 515 I CA 0.139 61.311 61.300 -0.212 0.000 1.285 515 I CB 0.032 37.900 38.000 -0.220 0.000 1.038 515 I HN 0.466 nan 8.210 nan 0.000 0.445 516 D N -0.239 119.972 120.400 -0.315 0.000 2.710 516 D HA 0.247 4.887 4.640 -0.000 0.000 0.276 516 D C -1.076 175.093 176.300 -0.217 0.000 1.267 516 D CA -0.579 53.250 54.000 -0.286 0.000 0.772 516 D CB 1.081 41.726 40.800 -0.258 0.000 1.299 516 D HN 0.172 nan 8.370 nan 0.000 0.421 517 H N 1.354 120.433 119.070 0.015 0.000 3.107 517 H HA 0.190 4.746 4.556 -0.000 0.000 0.301 517 H C 0.354 175.690 175.328 0.013 0.000 0.981 517 H CA 0.805 56.865 56.048 0.019 0.000 1.443 517 H CB -0.160 29.634 29.762 0.054 0.000 1.479 517 H HN 0.351 nan 8.280 nan 0.000 0.564 518 N N 0.982 119.746 118.700 0.107 0.000 2.800 518 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 518 N C -1.152 174.362 175.510 0.008 0.000 1.078 518 N CA 0.916 54.002 53.050 0.061 0.000 0.804 518 N CB -0.998 37.546 38.487 0.096 0.000 1.135 518 N HN 0.512 nan 8.380 nan 0.000 0.565 519 I N 0.373 120.896 120.570 -0.079 0.000 2.439 519 I HA 0.353 4.523 4.170 -0.000 0.000 0.285 519 I C -0.470 175.488 176.117 -0.265 0.000 1.021 519 I CA -0.934 60.247 61.300 -0.198 0.000 1.091 519 I CB 1.794 39.562 38.000 -0.388 0.000 1.242 519 I HN -0.244 nan 8.210 nan 0.000 0.439 520 V N 4.993 124.788 119.914 -0.198 0.000 2.384 520 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 520 V C 0.707 176.675 176.094 -0.209 0.000 1.020 520 V CA -0.509 61.671 62.300 -0.201 0.000 0.850 520 V CB 1.722 33.448 31.823 -0.161 0.000 0.987 520 V HN 0.878 nan 8.190 nan 0.000 0.436 521 G N 3.119 111.792 108.800 -0.212 0.000 2.519 521 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 521 G HA3 0.286 4.246 3.960 -0.000 0.000 0.306 521 G C 0.338 175.167 174.900 -0.119 0.000 0.965 521 G CA -0.141 44.873 45.100 -0.143 0.000 1.291 521 G HN 0.644 nan 8.290 nan 0.000 0.450 522 T N 2.638 117.105 114.554 -0.144 0.000 2.866 522 T HA 0.078 4.428 4.350 -0.000 0.000 0.293 522 T C 1.213 175.967 174.700 0.089 0.000 1.005 522 T CA 0.420 62.412 62.100 -0.180 0.000 1.162 522 T CB 0.402 68.896 68.868 -0.624 0.000 0.968 522 T HN 0.441 nan 8.240 nan 0.000 0.530 523 T N 5.288 119.834 114.554 -0.015 0.000 2.906 523 T HA 0.226 4.576 4.350 -0.000 0.000 0.320 523 T C 0.322 175.001 174.700 -0.035 0.000 1.088 523 T CA -0.059 61.999 62.100 -0.071 0.000 1.120 523 T CB 0.032 68.829 68.868 -0.119 0.000 1.000 523 T HN 0.888 nan 8.240 nan 0.000 0.550 524 H N -0.435 118.427 119.070 -0.346 0.000 2.888 524 H HA 0.433 4.988 4.556 -0.000 0.000 0.267 524 H C -1.504 173.605 175.328 -0.366 0.000 1.482 524 H CA -1.064 54.679 56.048 -0.509 0.000 1.165 524 H CB 0.849 29.904 29.762 -1.179 0.000 1.866 524 H HN 0.553 nan 8.280 nan 0.000 0.599 525 Q N 0.036 119.634 119.800 -0.336 0.000 2.451 525 Q HA 0.381 4.721 4.340 -0.000 0.000 0.281 525 Q C -1.116 174.674 176.000 -0.350 0.000 1.099 525 Q CA -0.975 54.656 55.803 -0.285 0.000 0.806 525 Q CB 2.889 31.556 28.738 -0.118 0.000 1.419 525 Q HN 0.489 nan 8.270 nan 0.000 0.427 526 H N 1.496 120.532 119.070 -0.056 0.000 2.762 526 H HA 0.436 4.992 4.556 -0.000 0.000 0.310 526 H C -0.861 174.229 175.328 -0.396 0.000 1.004 526 H CA -0.252 55.682 56.048 -0.189 0.000 1.267 526 H CB 0.625 30.333 29.762 -0.090 0.000 1.437 526 H HN 0.451 nan 8.280 nan 0.000 0.498 527 I N 4.743 125.125 120.570 -0.313 0.000 2.382 527 I HA 0.168 4.338 4.170 -0.000 0.000 0.285 527 I C -0.733 175.242 176.117 -0.236 0.000 1.007 527 I CA -0.721 60.454 61.300 -0.208 0.000 1.142 527 I CB 0.649 38.620 38.000 -0.048 0.000 1.289 527 I HN 0.316 nan 8.210 nan 0.000 0.453 528 Y N 4.369 124.740 120.300 0.119 0.000 2.342 528 Y HA 0.414 4.964 4.550 -0.000 0.000 0.334 528 Y C 0.164 175.982 175.900 -0.137 0.000 1.067 528 Y CA -0.876 57.189 58.100 -0.058 0.000 1.128 528 Y CB 1.139 39.530 38.460 -0.115 0.000 1.200 528 Y HN 0.494 nan 8.280 nan 0.000 0.464 529 N N 1.936 120.532 118.700 -0.173 0.000 2.346 529 N HA 0.525 5.265 4.740 -0.000 0.000 0.289 529 N C -2.094 173.216 175.510 -0.334 0.000 1.027 529 N CA -0.472 52.492 53.050 -0.143 0.000 0.864 529 N CB 0.774 39.149 38.487 -0.186 0.000 1.370 529 N HN 0.334 nan 8.380 nan 0.000 0.481 530 F N 1.621 121.680 119.950 0.182 0.000 2.426 530 F HA 0.434 4.961 4.527 -0.000 0.000 0.348 530 F C 0.691 176.494 175.800 0.005 0.000 1.124 530 F CA -0.830 57.234 58.000 0.106 0.000 1.008 530 F CB 1.413 40.444 39.000 0.053 0.000 1.139 530 F HN 0.293 nan 8.300 nan 0.000 0.452 531 R N 4.998 125.507 120.500 0.015 0.000 2.196 531 R HA 0.532 4.872 4.340 -0.000 0.000 0.340 531 R C -1.578 174.532 176.300 -0.317 0.000 1.043 531 R CA -0.285 55.499 56.100 -0.526 0.000 0.883 531 R CB 0.186 29.988 30.300 -0.830 0.000 1.078 531 R HN 0.778 nan 8.270 nan 0.000 0.462 532 L N 4.652 125.684 121.223 -0.319 0.000 2.337 532 L HA 0.238 4.578 4.340 -0.000 0.000 0.269 532 L C -0.330 176.448 176.870 -0.154 0.000 1.018 532 L CA -0.789 53.962 54.840 -0.148 0.000 0.876 532 L CB 1.460 43.486 42.059 -0.054 0.000 1.236 532 L HN 0.535 nan 8.230 nan 0.000 0.436 533 D N 4.249 124.577 120.400 -0.120 0.000 2.545 533 D HA 0.152 4.792 4.640 -0.000 0.000 0.227 533 D C 0.000 176.324 176.300 0.040 0.000 1.150 533 D CA 0.042 54.025 54.000 -0.028 0.000 1.046 533 D CB 0.155 40.978 40.800 0.039 0.000 1.098 533 D HN 0.327 nan 8.370 nan 0.000 0.502 534 L N 2.340 123.574 121.223 0.019 0.000 2.410 534 L HA 0.180 4.520 4.340 -0.000 0.000 0.273 534 L C 0.204 177.122 176.870 0.080 0.000 1.152 534 L CA 0.021 54.882 54.840 0.034 0.000 0.855 534 L CB 0.679 42.730 42.059 -0.013 0.000 1.129 534 L HN 0.112 nan 8.230 nan 0.000 0.463 535 D N 2.770 123.247 120.400 0.128 0.000 2.434 535 D HA 0.159 4.799 4.640 -0.000 0.000 0.275 535 D C -0.336 176.021 176.300 0.094 0.000 1.172 535 D CA -0.246 53.821 54.000 0.111 0.000 0.916 535 D CB 1.365 42.266 40.800 0.168 0.000 1.041 535 D HN 0.039 nan 8.370 nan 0.000 0.501 536 V N 2.569 122.553 119.914 0.117 0.000 2.416 536 V HA -0.061 4.059 4.120 -0.000 0.000 0.260 536 V C 1.051 177.288 176.094 0.238 0.000 1.018 536 V CA 0.308 62.754 62.300 0.243 0.000 1.120 536 V CB -0.157 31.834 31.823 0.280 0.000 1.081 536 V HN 0.559 nan 8.190 nan 0.000 0.474 537 D N 3.404 123.982 120.400 0.296 0.000 2.955 537 D HA -0.152 4.488 4.640 -0.000 0.000 0.226 537 D C 0.367 176.635 176.300 -0.054 0.000 1.178 537 D CA 1.812 55.860 54.000 0.081 0.000 0.808 537 D CB -0.949 39.770 40.800 -0.135 0.000 1.099 537 D HN 1.175 nan 8.370 nan 0.000 0.421 538 G N -1.510 107.248 108.800 -0.070 0.000 2.339 538 G HA2 0.163 4.122 3.960 -0.000 0.000 0.302 538 G HA3 0.163 4.122 3.960 -0.000 0.000 0.302 538 G C 0.023 174.870 174.900 -0.088 0.000 1.425 538 G CA 0.233 45.257 45.100 -0.127 0.000 0.899 538 G HN 0.058 nan 8.290 nan 0.000 0.619 539 E N -0.392 119.747 120.200 -0.102 0.000 2.028 539 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 539 E C 0.391 176.981 176.600 -0.017 0.000 0.988 539 E CA 0.565 56.929 56.400 -0.060 0.000 0.799 539 E CB -0.079 29.581 29.700 -0.067 0.000 0.755 539 E HN 0.394 nan 8.360 nan 0.000 0.447 540 N N 2.337 121.028 118.700 -0.015 0.000 2.399 540 N HA 0.082 4.822 4.740 -0.000 0.000 0.259 540 N C -0.738 174.782 175.510 0.016 0.000 1.160 540 N CA 0.205 53.258 53.050 0.005 0.000 0.946 540 N CB 0.647 39.135 38.487 0.002 0.000 1.156 540 N HN 0.163 nan 8.380 nan 0.000 0.489 541 N N 0.128 118.847 118.700 0.031 0.000 2.701 541 N HA 0.475 5.215 4.740 -0.000 0.000 0.290 541 N C -0.747 174.789 175.510 0.044 0.000 1.338 541 N CA -0.445 52.630 53.050 0.042 0.000 0.799 541 N CB 1.429 39.951 38.487 0.058 0.000 1.491 541 N HN 0.202 nan 8.380 nan 0.000 0.540 542 S N 0.173 115.900 115.700 0.045 0.000 2.556 542 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 542 S C -1.282 173.339 174.600 0.036 0.000 1.135 542 S CA -0.580 57.645 58.200 0.041 0.000 0.858 542 S CB 1.976 65.195 63.200 0.032 0.000 1.114 542 S HN 0.418 nan 8.310 nan 0.000 0.468 543 L N 3.318 124.563 121.223 0.037 0.000 2.260 543 L HA 0.626 4.966 4.340 -0.000 0.000 0.289 543 L C -1.166 175.692 176.870 -0.020 0.000 1.057 543 L CA -0.028 54.825 54.840 0.022 0.000 0.811 543 L CB 0.447 42.535 42.059 0.048 0.000 1.184 543 L HN 0.464 nan 8.230 nan 0.000 0.429 544 V N 5.036 124.909 119.914 -0.068 0.000 2.495 544 V HA 0.807 4.927 4.120 -0.000 0.000 0.298 544 V C 0.197 176.143 176.094 -0.247 0.000 1.031 544 V CA -0.568 61.646 62.300 -0.143 0.000 0.871 544 V CB 1.398 33.147 31.823 -0.124 0.000 0.988 544 V HN 0.926 nan 8.190 nan 0.000 0.432 545 A N 6.004 128.563 122.820 -0.435 0.000 2.305 545 A HA 0.910 5.229 4.320 -0.000 0.000 0.322 545 A C -0.442 176.816 177.584 -0.543 0.000 1.187 545 A CA -0.554 51.140 52.037 -0.572 0.000 0.825 545 A CB 0.860 19.288 19.000 -0.952 0.000 1.164 545 A HN 0.832 nan 8.150 nan 0.000 0.498 546 M N 3.031 122.424 119.600 -0.346 0.000 2.007 546 M HA 0.229 4.709 4.480 -0.000 0.000 0.285 546 M C -1.530 174.691 176.300 -0.132 0.000 0.893 546 M CA -0.429 54.737 55.300 -0.223 0.000 0.925 546 M CB 1.498 33.959 32.600 -0.231 0.000 1.568 546 M HN 0.574 nan 8.290 nan 0.000 0.414 547 D N 4.999 125.366 120.400 -0.055 0.000 2.359 547 D HA 0.332 4.972 4.640 -0.000 0.000 0.230 547 D C -2.463 173.846 176.300 0.015 0.000 1.118 547 D CA -1.343 52.656 54.000 -0.002 0.000 0.844 547 D CB 1.188 42.031 40.800 0.072 0.000 1.059 547 D HN 0.132 nan 8.370 nan 0.000 0.493 548 P HA -0.015 nan 4.420 nan 0.000 0.267 548 P C -0.412 176.899 177.300 0.019 0.000 1.209 548 P CA -0.103 63.008 63.100 0.018 0.000 0.763 548 P CB 0.756 32.467 31.700 0.018 0.000 0.816 549 V N 1.524 121.453 119.914 0.024 0.000 3.007 549 V HA 0.548 4.668 4.120 -0.000 0.000 0.311 549 V C -0.510 175.595 176.094 0.018 0.000 1.120 549 V CA -1.108 61.204 62.300 0.021 0.000 0.980 549 V CB 2.253 34.091 31.823 0.025 0.000 1.033 549 V HN 0.062 nan 8.190 nan 0.000 0.429 550 V N 2.910 122.832 119.914 0.014 0.000 2.364 550 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 550 V C 0.254 176.354 176.094 0.011 0.000 1.036 550 V CA -0.286 62.021 62.300 0.012 0.000 0.880 550 V CB 0.752 32.580 31.823 0.009 0.000 0.991 550 V HN 0.929 nan 8.190 nan 0.000 0.460 551 K N 6.516 126.924 120.400 0.012 0.000 2.259 551 K HA 0.520 4.840 4.320 -0.000 0.000 0.249 551 K C -2.653 173.952 176.600 0.008 0.000 0.942 551 K CA -1.947 54.346 56.287 0.010 0.000 0.816 551 K CB 2.549 35.057 32.500 0.013 0.000 1.155 551 K HN 0.355 nan 8.250 nan 0.000 0.428 552 P HA -0.094 nan 4.420 nan 0.000 0.268 552 P C -0.980 176.324 177.300 0.006 0.000 1.205 552 P CA 0.079 63.182 63.100 0.005 0.000 0.771 552 P CB 0.441 32.143 31.700 0.004 0.000 0.858 553 N N 1.506 120.209 118.700 0.006 0.000 2.470 553 N HA 0.063 4.803 4.740 -0.000 0.000 0.268 553 N C 0.818 176.331 175.510 0.005 0.000 1.136 553 N CA -0.156 52.897 53.050 0.006 0.000 0.961 553 N CB 0.420 38.910 38.487 0.005 0.000 1.067 553 N HN 0.382 nan 8.380 nan 0.000 0.468 554 T N -0.012 114.545 114.554 0.005 0.000 3.040 554 T HA 0.249 4.599 4.350 -0.000 0.000 0.266 554 T C 1.114 175.816 174.700 0.004 0.000 1.005 554 T CA -0.121 61.982 62.100 0.004 0.000 0.906 554 T CB 0.420 69.291 68.868 0.005 0.000 1.082 554 T HN 0.422 nan 8.240 nan 0.000 0.531 555 A N 0.943 123.765 122.820 0.004 0.000 2.275 555 A HA 0.716 5.036 4.320 -0.000 0.000 0.212 555 A C 1.472 179.058 177.584 0.003 0.000 1.201 555 A CA 0.318 52.358 52.037 0.004 0.000 0.843 555 A CB -0.798 18.204 19.000 0.004 0.000 0.873 555 A HN 1.389 nan 8.150 nan 0.000 0.492 556 G N -2.158 106.643 108.800 0.003 0.000 2.685 556 G HA2 0.463 4.423 3.960 -0.000 0.000 0.387 556 G HA3 0.463 4.423 3.960 -0.000 0.000 0.387 556 G C 0.742 175.643 174.900 0.002 0.000 1.324 556 G CA -0.115 44.986 45.100 0.002 0.000 0.878 556 G HN 2.472 nan 8.290 nan 0.000 0.527 557 G N -1.667 107.135 108.800 0.002 0.000 2.795 557 G HA2 0.258 4.218 3.960 -0.000 0.000 0.664 557 G HA3 0.258 4.218 3.960 -0.000 0.000 0.664 557 G C -0.862 174.040 174.900 0.002 0.000 1.381 557 G CA 0.517 45.618 45.100 0.002 0.000 0.853 557 G HN 1.365 nan 8.290 nan 0.000 0.545 558 P HA 0.037 nan 4.420 nan 0.000 0.222 558 P C 0.894 178.196 177.300 0.003 0.000 1.147 558 P CA 0.568 63.669 63.100 0.002 0.000 0.790 558 P CB 0.123 31.824 31.700 0.002 0.000 0.780 559 R N 0.170 120.672 120.500 0.003 0.000 2.401 559 R HA 0.084 4.424 4.340 -0.000 0.000 0.299 559 R C 1.455 177.757 176.300 0.004 0.000 1.064 559 R CA 0.629 56.731 56.100 0.004 0.000 1.000 559 R CB -0.057 30.245 30.300 0.004 0.000 0.973 559 R HN 0.204 nan 8.270 nan 0.000 0.438 560 T N -1.968 112.588 114.554 0.004 0.000 3.035 560 T HA -0.005 4.345 4.350 -0.000 0.000 0.259 560 T C 0.908 175.610 174.700 0.004 0.000 1.078 560 T CA 0.475 62.577 62.100 0.004 0.000 1.132 560 T CB 0.184 69.053 68.868 0.003 0.000 0.900 560 T HN 0.524 nan 8.240 nan 0.000 0.480 561 S N 0.678 116.381 115.700 0.005 0.000 2.661 561 S HA 0.723 5.193 4.470 -0.000 0.000 0.285 561 S C -0.564 174.040 174.600 0.008 0.000 1.138 561 S CA -0.408 57.796 58.200 0.006 0.000 0.855 561 S CB 2.017 65.221 63.200 0.006 0.000 1.136 561 S HN 0.711 nan 8.310 nan 0.000 0.484 562 T N -1.482 113.077 114.554 0.009 0.000 2.883 562 T HA 0.656 5.006 4.350 -0.000 0.000 0.296 562 T C -0.740 173.968 174.700 0.014 0.000 1.117 562 T CA -0.953 61.154 62.100 0.011 0.000 1.006 562 T CB 1.244 70.118 68.868 0.011 0.000 1.191 562 T HN 0.668 nan 8.240 nan 0.000 0.508 563 M N 2.466 122.076 119.600 0.016 0.000 2.069 563 M HA 0.389 4.869 4.480 -0.000 0.000 0.349 563 M C -0.093 176.222 176.300 0.024 0.000 1.194 563 M CA -0.410 54.902 55.300 0.020 0.000 1.081 563 M CB 1.064 33.676 32.600 0.021 0.000 1.500 563 M HN 0.626 nan 8.290 nan 0.000 0.438 564 Q N 1.477 121.293 119.800 0.026 0.000 2.814 564 Q HA 0.801 5.141 4.340 -0.000 0.000 0.283 564 Q C -1.203 174.818 176.000 0.036 0.000 1.071 564 Q CA -1.131 54.690 55.803 0.031 0.000 0.849 564 Q CB 3.100 31.855 28.738 0.028 0.000 1.437 564 Q HN 0.453 nan 8.270 nan 0.000 0.492 565 V N 1.059 120.998 119.914 0.041 0.000 2.531 565 V HA 0.272 4.392 4.120 -0.000 0.000 0.301 565 V C -1.018 175.108 176.094 0.052 0.000 1.034 565 V CA -0.765 61.560 62.300 0.042 0.000 0.865 565 V CB 1.687 33.536 31.823 0.043 0.000 0.995 565 V HN 0.673 nan 8.190 nan 0.000 0.424 566 N N 4.087 122.829 118.700 0.070 0.000 2.439 566 N HA 0.250 4.989 4.740 -0.000 0.000 0.243 566 N C -0.387 175.214 175.510 0.152 0.000 1.088 566 N CA -0.194 52.933 53.050 0.129 0.000 0.940 566 N CB 0.880 39.467 38.487 0.166 0.000 1.180 566 N HN 0.693 nan 8.380 nan 0.000 0.505 567 Q N 3.398 123.267 119.800 0.115 0.000 2.241 567 Q HA 0.344 4.684 4.340 -0.000 0.000 0.254 567 Q C -1.553 174.533 176.000 0.143 0.000 0.917 567 Q CA -0.678 55.137 55.803 0.020 0.000 0.919 567 Q CB 0.762 29.497 28.738 -0.005 0.000 1.237 567 Q HN 0.606 nan 8.270 nan 0.000 0.434 568 Y N 0.029 120.322 120.300 -0.011 0.000 2.620 568 Y HA 0.433 4.983 4.550 -0.000 0.000 0.331 568 Y C -1.717 174.181 175.900 -0.003 0.000 1.173 568 Y CA -1.491 56.606 58.100 -0.005 0.000 1.076 568 Y CB 0.481 38.939 38.460 -0.003 0.000 1.336 568 Y HN 0.529 nan 8.280 nan 0.000 0.459 569 N N 1.631 120.425 118.700 0.157 0.000 2.530 569 N HA 0.484 5.224 4.740 -0.000 0.000 0.277 569 N C -1.061 174.552 175.510 0.172 0.000 1.168 569 N CA -0.306 52.799 53.050 0.092 0.000 0.979 569 N CB 1.024 39.556 38.487 0.075 0.000 1.141 569 N HN 0.700 nan 8.380 nan 0.000 0.459 570 I N 0.991 121.620 120.570 0.100 0.000 2.388 570 I HA 0.246 4.416 4.170 -0.000 0.000 0.281 570 I C 1.343 177.511 176.117 0.086 0.000 1.046 570 I CA -0.389 60.981 61.300 0.116 0.000 1.187 570 I CB 1.147 39.201 38.000 0.090 0.000 1.351 570 I HN 0.692 nan 8.210 nan 0.000 0.472 571 G N 4.980 113.830 108.800 0.084 0.000 2.534 571 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 571 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 571 G C 0.384 175.326 174.900 0.069 0.000 1.128 571 G CA 0.315 45.457 45.100 0.070 0.000 0.784 571 G HN 0.669 nan 8.290 nan 0.000 0.542 572 N N -2.054 116.689 118.700 0.072 0.000 2.525 572 N HA 0.292 5.032 4.740 -0.000 0.000 0.270 572 N C 0.305 175.867 175.510 0.087 0.000 1.321 572 N CA -0.807 52.289 53.050 0.076 0.000 0.797 572 N CB 1.005 39.532 38.487 0.067 0.000 1.529 572 N HN -0.062 nan 8.380 nan 0.000 0.491 573 E N -0.609 119.653 120.200 0.103 0.000 2.118 573 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 573 E C 0.986 177.649 176.600 0.105 0.000 0.992 573 E CA 1.363 57.841 56.400 0.130 0.000 0.804 573 E CB -0.035 29.758 29.700 0.156 0.000 0.741 573 E HN 0.513 nan 8.360 nan 0.000 0.458 574 Q N 0.625 120.472 119.800 0.078 0.000 2.079 574 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 574 Q C 1.632 177.635 176.000 0.005 0.000 0.974 574 Q CA 1.155 56.984 55.803 0.043 0.000 0.840 574 Q CB -0.171 28.593 28.738 0.044 0.000 0.898 574 Q HN 0.319 nan 8.270 nan 0.000 0.430 575 D N 0.509 120.925 120.400 0.026 0.000 2.183 575 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 575 D C 1.658 177.969 176.300 0.018 0.000 0.969 575 D CA 1.145 55.159 54.000 0.024 0.000 0.842 575 D CB -0.092 40.739 40.800 0.051 0.000 0.957 575 D HN 0.226 nan 8.370 nan 0.000 0.484 576 A N 0.667 123.508 122.820 0.035 0.000 2.015 576 A HA 0.175 4.495 4.320 -0.000 0.000 0.219 576 A C 1.461 179.020 177.584 -0.042 0.000 1.163 576 A CA 0.895 52.959 52.037 0.044 0.000 0.646 576 A CB -0.302 18.762 19.000 0.108 0.000 0.806 576 A HN 0.178 nan 8.150 nan 0.000 0.448 577 A N 0.789 123.516 122.820 -0.156 0.000 2.437 577 A HA 0.519 4.839 4.320 -0.000 0.000 0.303 577 A C 0.091 177.398 177.584 -0.462 0.000 1.324 577 A CA -0.203 51.501 52.037 -0.555 0.000 0.983 577 A CB -0.513 18.052 19.000 -0.726 0.000 1.142 577 A HN 0.683 nan 8.150 nan 0.000 0.541 578 Q N 1.667 121.226 119.800 -0.402 0.000 2.590 578 Q HA 0.520 4.860 4.340 -0.000 0.000 0.295 578 Q C -1.192 174.745 176.000 -0.104 0.000 0.973 578 Q CA -1.362 54.322 55.803 -0.200 0.000 0.768 578 Q CB 0.974 29.671 28.738 -0.069 0.000 1.479 578 Q HN 0.310 nan 8.270 nan 0.000 0.419 579 K N 0.780 121.160 120.400 -0.034 0.000 2.295 579 K HA 0.282 4.602 4.320 -0.000 0.000 0.270 579 K C -1.101 175.571 176.600 0.121 0.000 1.011 579 K CA -0.030 56.279 56.287 0.037 0.000 0.953 579 K CB 0.440 32.947 32.500 0.011 0.000 0.956 579 K HN 0.614 nan 8.250 nan 0.000 0.477 580 F N 1.988 121.952 119.950 0.023 0.000 2.411 580 F HA 0.119 4.646 4.527 -0.000 0.000 0.352 580 F C -0.062 175.773 175.800 0.059 0.000 1.123 580 F CA -0.822 57.208 58.000 0.050 0.000 1.044 580 F CB 1.120 40.176 39.000 0.093 0.000 1.135 580 F HN 0.373 nan 8.300 nan 0.000 0.461 581 D N 8.746 128.681 120.400 -0.774 0.000 2.412 581 D HA 0.264 4.904 4.640 -0.000 0.000 0.224 581 D C -1.739 173.958 176.300 -1.004 0.000 1.093 581 D CA -2.660 50.977 54.000 -0.605 0.000 0.850 581 D CB 1.628 42.233 40.800 -0.325 0.000 1.046 581 D HN 0.283 nan 8.370 nan 0.000 0.507 582 P HA -0.058 nan 4.420 nan 0.000 0.229 582 P C 1.053 178.292 177.300 -0.101 0.000 1.150 582 P CA 0.473 63.471 63.100 -0.170 0.000 0.765 582 P CB 0.306 32.154 31.700 0.245 0.000 0.783 583 G N -0.212 108.493 108.800 -0.159 0.000 2.683 583 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.213 583 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.213 583 G C 0.805 175.652 174.900 -0.089 0.000 1.142 583 G CA 0.595 45.649 45.100 -0.077 0.000 0.793 583 G HN 0.437 nan 8.290 nan 0.000 0.534 584 T N -1.632 112.812 114.554 -0.184 0.000 2.910 584 T HA 0.712 5.062 4.350 -0.000 0.000 0.279 584 T C -0.329 174.321 174.700 -0.084 0.000 0.989 584 T CA -0.817 61.198 62.100 -0.141 0.000 0.968 584 T CB 2.062 70.826 68.868 -0.175 0.000 1.135 584 T HN -0.055 nan 8.240 nan 0.000 0.562 585 I N 0.963 121.480 120.570 -0.087 0.000 2.498 585 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 585 I C -0.210 175.833 176.117 -0.124 0.000 1.032 585 I CA -1.117 60.116 61.300 -0.112 0.000 1.073 585 I CB 1.861 39.679 38.000 -0.304 0.000 1.251 585 I HN 0.411 nan 8.210 nan 0.000 0.426 586 R N 7.033 127.513 120.500 -0.033 0.000 2.439 586 R HA 0.702 5.042 4.340 -0.000 0.000 0.310 586 R C -1.269 174.969 176.300 -0.103 0.000 0.955 586 R CA -0.727 55.349 56.100 -0.039 0.000 0.853 586 R CB 2.081 32.452 30.300 0.119 0.000 1.171 586 R HN 0.567 nan 8.270 nan 0.000 0.449 587 L N 2.911 124.044 121.223 -0.151 0.000 2.354 587 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 587 L C -0.588 176.261 176.870 -0.034 0.000 1.005 587 L CA -1.310 53.453 54.840 -0.127 0.000 0.819 587 L CB 1.977 43.881 42.059 -0.258 0.000 1.311 587 L HN 0.232 nan 8.230 nan 0.000 0.423 588 L N 1.748 122.993 121.223 0.036 0.000 2.295 588 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 588 L C -0.345 176.583 176.870 0.097 0.000 1.018 588 L CA 0.382 55.264 54.840 0.069 0.000 0.841 588 L CB 1.104 43.219 42.059 0.094 0.000 1.218 588 L HN 0.564 nan 8.230 nan 0.000 0.424 589 S N 3.268 119.007 115.700 0.064 0.000 2.681 589 S HA 0.483 4.953 4.470 -0.000 0.000 0.299 589 S C -0.359 174.280 174.600 0.066 0.000 1.113 589 S CA -0.749 57.495 58.200 0.074 0.000 1.013 589 S CB 1.325 64.548 63.200 0.038 0.000 1.076 589 S HN 0.613 nan 8.310 nan 0.000 0.534 590 N N 2.565 121.301 118.700 0.060 0.000 2.609 590 N HA 0.250 4.990 4.740 -0.000 0.000 0.234 590 N C -2.003 173.513 175.510 0.010 0.000 1.001 590 N CA -2.112 50.956 53.050 0.030 0.000 0.926 590 N CB 1.129 39.626 38.487 0.015 0.000 1.130 590 N HN 0.257 nan 8.380 nan 0.000 0.510 591 P HA -0.049 nan 4.420 nan 0.000 0.236 591 P C -0.002 177.295 177.300 -0.004 0.000 1.172 591 P CA 0.805 63.909 63.100 0.007 0.000 0.759 591 P CB 0.490 32.197 31.700 0.013 0.000 0.843 592 N N -0.289 118.404 118.700 -0.013 0.000 2.220 592 N HA 0.090 4.830 4.740 -0.000 0.000 0.195 592 N C 0.355 175.842 175.510 -0.039 0.000 1.123 592 N CA 0.287 53.323 53.050 -0.023 0.000 0.874 592 N CB 0.753 39.225 38.487 -0.024 0.000 0.995 592 N HN 0.324 nan 8.380 nan 0.000 0.498 593 K N 0.914 121.285 120.400 -0.049 0.000 2.464 593 K HA 0.434 4.754 4.320 -0.000 0.000 0.253 593 K C -0.831 175.721 176.600 -0.079 0.000 0.933 593 K CA -0.498 55.743 56.287 -0.077 0.000 0.801 593 K CB 2.509 34.940 32.500 -0.116 0.000 1.271 593 K HN -0.044 nan 8.250 nan 0.000 0.430 594 E N 0.844 120.994 120.200 -0.084 0.000 2.369 594 E HA 0.179 4.529 4.350 -0.000 0.000 0.270 594 E C -0.913 175.627 176.600 -0.101 0.000 0.909 594 E CA -1.004 55.352 56.400 -0.074 0.000 0.775 594 E CB 1.903 31.578 29.700 -0.043 0.000 1.270 594 E HN 0.671 nan 8.360 nan 0.000 0.445 595 N N 0.006 118.651 118.700 -0.091 0.000 2.366 595 N HA 0.136 4.876 4.740 -0.000 0.000 0.277 595 N C 0.837 176.311 175.510 -0.060 0.000 1.275 595 N CA -0.763 52.231 53.050 -0.094 0.000 0.964 595 N CB 1.055 39.492 38.487 -0.084 0.000 1.167 595 N HN 0.378 nan 8.380 nan 0.000 0.568 596 R N -0.890 119.581 120.500 -0.049 0.000 2.211 596 R HA -0.091 4.249 4.340 -0.000 0.000 0.240 596 R C 0.804 177.085 176.300 -0.032 0.000 1.144 596 R CA 1.505 57.583 56.100 -0.037 0.000 0.992 596 R CB -0.163 30.119 30.300 -0.030 0.000 0.869 596 R HN 0.619 nan 8.270 nan 0.000 0.462 597 M N -0.711 118.870 119.600 -0.032 0.000 2.505 597 M HA 0.258 4.738 4.480 -0.000 0.000 0.230 597 M C 0.879 177.169 176.300 -0.017 0.000 1.153 597 M CA 0.629 55.914 55.300 -0.025 0.000 0.997 597 M CB 1.156 33.739 32.600 -0.029 0.000 1.606 597 M HN 0.356 nan 8.290 nan 0.000 0.481 598 G N 0.375 109.163 108.800 -0.020 0.000 2.159 598 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 598 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 598 G C 0.063 174.961 174.900 -0.003 0.000 0.977 598 G CA 0.005 45.097 45.100 -0.013 0.000 0.652 598 G HN 0.531 nan 8.290 nan 0.000 0.531 599 N N 2.253 120.953 118.700 -0.000 0.000 2.455 599 N HA 0.461 5.201 4.740 -0.000 0.000 0.280 599 N C -2.325 173.196 175.510 0.018 0.000 1.055 599 N CA -1.461 51.604 53.050 0.026 0.000 0.961 599 N CB 1.579 40.094 38.487 0.048 0.000 1.121 599 N HN 0.081 nan 8.380 nan 0.000 0.476 600 P HA -0.057 nan 4.420 nan 0.000 0.263 600 P C -0.089 177.234 177.300 0.038 0.000 1.195 600 P CA -0.151 62.961 63.100 0.019 0.000 0.762 600 P CB 0.516 32.233 31.700 0.028 0.000 0.799 601 V N 1.826 121.726 119.914 -0.024 0.000 2.599 601 V HA 0.301 4.421 4.120 -0.000 0.000 0.300 601 V C 0.095 176.275 176.094 0.144 0.000 1.034 601 V CA 0.388 62.669 62.300 -0.031 0.000 1.115 601 V CB -0.443 31.193 31.823 -0.311 0.000 0.934 601 V HN 0.600 nan 8.190 nan 0.000 0.485 602 S N 3.110 118.967 115.700 0.262 0.000 2.705 602 S HA 0.754 5.224 4.470 -0.000 0.000 0.280 602 S C -1.455 173.295 174.600 0.249 0.000 1.174 602 S CA -0.557 57.811 58.200 0.280 0.000 0.823 602 S CB 1.699 65.007 63.200 0.181 0.000 1.162 602 S HN 0.768 nan 8.310 nan 0.000 0.487 603 Y N 1.386 121.766 120.300 0.134 0.000 2.386 603 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 603 Y C -0.167 175.761 175.900 0.046 0.000 1.002 603 Y CA -0.445 57.699 58.100 0.074 0.000 1.068 603 Y CB 1.778 40.233 38.460 -0.008 0.000 1.203 603 Y HN 0.623 nan 8.280 nan 0.000 0.443 604 Q N 4.856 124.744 119.800 0.146 0.000 2.293 604 Q HA 0.404 4.744 4.340 -0.000 0.000 0.263 604 Q C -1.126 174.921 176.000 0.079 0.000 1.002 604 Q CA -0.190 55.657 55.803 0.072 0.000 0.910 604 Q CB 0.514 29.338 28.738 0.142 0.000 1.185 604 Q HN 0.662 nan 8.270 nan 0.000 0.401 605 I N 6.257 126.842 120.570 0.025 0.000 2.312 605 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 605 I C -0.264 175.772 176.117 -0.135 0.000 1.031 605 I CA -0.301 60.985 61.300 -0.024 0.000 1.293 605 I CB 0.730 38.722 38.000 -0.012 0.000 1.403 605 I HN 0.564 nan 8.210 nan 0.000 0.484 606 I N 8.645 129.107 120.570 -0.180 0.000 2.502 606 I HA 0.241 4.411 4.170 -0.000 0.000 0.276 606 I C -1.817 174.077 176.117 -0.372 0.000 1.057 606 I CA -1.556 59.549 61.300 -0.324 0.000 1.163 606 I CB 1.198 39.155 38.000 -0.072 0.000 1.288 606 I HN 0.332 nan 8.210 nan 0.000 0.479 607 P HA -0.181 nan 4.420 nan 0.000 0.218 607 P C -0.294 177.026 177.300 0.034 0.000 1.148 607 P CA 1.343 64.293 63.100 -0.250 0.000 0.822 607 P CB 0.052 31.574 31.700 -0.297 0.000 0.784 608 Y N -0.579 119.667 120.300 -0.091 0.000 2.363 608 Y HA 0.613 5.163 4.550 -0.000 0.000 0.325 608 Y C 0.036 176.041 175.900 0.176 0.000 0.984 608 Y CA -1.527 56.658 58.100 0.141 0.000 1.248 608 Y CB 0.755 39.377 38.460 0.269 0.000 1.116 608 Y HN -0.182 nan 8.280 nan 0.000 0.470 609 A N 3.780 126.416 122.820 -0.307 0.000 2.535 609 A HA 0.727 5.047 4.320 -0.000 0.000 0.273 609 A C 0.712 178.092 177.584 -0.340 0.000 1.267 609 A CA 0.314 52.194 52.037 -0.263 0.000 0.940 609 A CB -0.570 18.380 19.000 -0.083 0.000 1.101 609 A HN 1.480 nan 8.150 nan 0.000 0.521 610 G N -2.261 106.052 108.800 -0.812 0.000 2.354 610 G HA2 0.536 4.496 3.960 -0.000 0.000 0.582 610 G HA3 0.536 4.496 3.960 -0.000 0.000 0.582 610 G C -0.287 174.628 174.900 0.025 0.000 1.316 610 G CA -0.176 44.726 45.100 -0.330 0.000 0.995 610 G HN 1.930 nan 8.290 nan 0.000 0.573 611 G N -2.271 106.649 108.800 0.200 0.000 2.442 611 G HA2 0.678 4.638 3.960 -0.000 0.000 0.296 611 G HA3 0.678 4.638 3.960 -0.000 0.000 0.296 611 G C 0.397 175.407 174.900 0.182 0.000 1.564 611 G CA 0.916 46.111 45.100 0.158 0.000 0.828 611 G HN 1.991 nan 8.290 nan 0.000 0.571 612 T N -2.445 112.183 114.554 0.124 0.000 3.086 612 T HA 0.313 4.663 4.350 -0.000 0.000 0.250 612 T C 0.601 175.371 174.700 0.118 0.000 1.074 612 T CA 0.522 62.685 62.100 0.105 0.000 0.988 612 T CB -0.116 68.793 68.868 0.069 0.000 0.988 612 T HN 0.561 nan 8.240 nan 0.000 0.530 613 H N 0.887 119.986 119.070 0.048 0.000 2.670 613 H HA 0.448 5.004 4.556 -0.000 0.000 0.361 613 H C -2.525 172.828 175.328 0.041 0.000 1.169 613 H CA -2.786 53.265 56.048 0.006 0.000 1.198 613 H CB 1.711 31.438 29.762 -0.058 0.000 1.700 613 H HN 0.041 nan 8.280 nan 0.000 0.542 614 P HA -0.091 nan 4.420 nan 0.000 0.266 614 P C -0.918 176.409 177.300 0.046 0.000 1.193 614 P CA 0.074 63.201 63.100 0.045 0.000 0.770 614 P CB 0.570 32.253 31.700 -0.028 0.000 0.836 615 V N 1.544 121.464 119.914 0.010 0.000 2.567 615 V HA 0.444 4.564 4.120 -0.000 0.000 0.289 615 V C 0.608 176.654 176.094 -0.080 0.000 1.049 615 V CA -0.733 61.529 62.300 -0.062 0.000 0.969 615 V CB 0.995 32.650 31.823 -0.280 0.000 0.995 615 V HN 0.621 nan 8.190 nan 0.000 0.471 616 A N 3.686 126.470 122.820 -0.061 0.000 2.527 616 A HA 0.340 4.660 4.320 -0.000 0.000 0.313 616 A C 1.250 178.803 177.584 -0.051 0.000 1.410 616 A CA -0.477 51.534 52.037 -0.043 0.000 1.060 616 A CB -0.092 18.903 19.000 -0.008 0.000 1.137 616 A HN 0.753 nan 8.150 nan 0.000 0.542 617 K N 1.611 121.979 120.400 -0.054 0.000 2.209 617 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 617 K C 1.077 177.677 176.600 0.001 0.000 1.048 617 K CA 1.312 57.576 56.287 -0.038 0.000 0.940 617 K CB -0.106 32.373 32.500 -0.035 0.000 0.729 617 K HN 0.931 nan 8.250 nan 0.000 0.451 618 G N -1.213 107.594 108.800 0.011 0.000 2.393 618 G HA2 0.438 4.398 3.960 -0.000 0.000 0.264 618 G HA3 0.438 4.398 3.960 -0.000 0.000 0.264 618 G C -1.690 173.237 174.900 0.045 0.000 1.221 618 G CA -0.272 44.850 45.100 0.036 0.000 0.912 618 G HN 0.123 nan 8.290 nan 0.000 0.483 619 A N 0.195 123.071 122.820 0.093 0.000 2.302 619 A HA 0.574 4.894 4.320 -0.000 0.000 0.295 619 A C 0.371 178.081 177.584 0.210 0.000 1.235 619 A CA -0.286 51.862 52.037 0.185 0.000 0.876 619 A CB 0.461 19.585 19.000 0.206 0.000 1.133 619 A HN 0.359 nan 8.150 nan 0.000 0.533 620 Q N 2.072 121.909 119.800 0.061 0.000 2.800 620 Q HA 0.169 4.509 4.340 -0.000 0.000 0.261 620 Q C -1.431 174.300 176.000 -0.449 0.000 1.093 620 Q CA 0.822 56.522 55.803 -0.173 0.000 0.943 620 Q CB -0.980 27.595 28.738 -0.272 0.000 1.591 620 Q HN 0.581 nan 8.270 nan 0.000 0.429 621 F N -0.670 119.304 119.950 0.039 0.000 2.581 621 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 621 F C 0.128 175.877 175.800 -0.084 0.000 1.113 621 F CA -1.319 56.699 58.000 0.029 0.000 0.935 621 F CB 1.151 40.222 39.000 0.118 0.000 1.232 621 F HN 0.028 nan 8.300 nan 0.000 0.445 622 A N 4.132 126.971 122.820 0.031 0.000 2.498 622 A HA 0.319 4.639 4.320 -0.000 0.000 0.239 622 A C -1.523 175.778 177.584 -0.471 0.000 1.068 622 A CA -0.988 50.950 52.037 -0.165 0.000 0.766 622 A CB -0.230 18.710 19.000 -0.100 0.000 1.003 622 A HN 0.593 nan 8.150 nan 0.000 0.497 623 P HA -0.163 nan 4.420 nan 0.000 0.229 623 P C 0.194 177.028 177.300 -0.778 0.000 1.150 623 P CA 1.460 63.818 63.100 -1.237 0.000 0.765 623 P CB 0.064 31.333 31.700 -0.718 0.000 0.783 624 D N -1.795 118.325 120.400 -0.467 0.000 2.349 624 D HA 0.004 4.644 4.640 -0.000 0.000 0.214 624 D C 0.353 176.502 176.300 -0.252 0.000 1.063 624 D CA 0.049 53.881 54.000 -0.280 0.000 0.847 624 D CB -0.281 40.463 40.800 -0.094 0.000 0.933 624 D HN 0.038 nan 8.370 nan 0.000 0.513 625 E N 0.190 120.207 120.200 -0.305 0.000 2.360 625 E HA -0.002 4.348 4.350 -0.000 0.000 0.269 625 E C 0.286 176.819 176.600 -0.112 0.000 1.022 625 E CA -0.305 56.066 56.400 -0.047 0.000 0.887 625 E CB 0.751 30.520 29.700 0.115 0.000 0.990 625 E HN 0.272 nan 8.360 nan 0.000 0.426 626 W N 1.921 123.338 121.300 0.195 0.000 2.363 626 W HA -0.172 4.488 4.660 -0.000 0.000 0.296 626 W C 2.026 178.557 176.519 0.019 0.000 1.212 626 W CA 0.110 57.611 57.345 0.260 0.000 1.260 626 W CB -0.232 29.167 29.460 -0.101 0.000 1.131 626 W HN 0.554 nan 8.180 nan 0.000 0.530 627 I N -0.558 120.024 120.570 0.019 0.000 2.264 627 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 627 I C 2.269 178.251 176.117 -0.225 0.000 1.111 627 I CA 1.568 62.758 61.300 -0.185 0.000 1.382 627 I CB -0.955 36.763 38.000 -0.470 0.000 1.060 627 I HN 0.121 nan 8.210 nan 0.000 0.418 628 Y N 0.704 120.778 120.300 -0.378 0.000 2.200 628 Y HA -0.288 4.262 4.550 -0.000 0.000 0.290 628 Y C 2.544 178.289 175.900 -0.259 0.000 1.137 628 Y CA 2.286 60.179 58.100 -0.344 0.000 1.163 628 Y CB -0.626 37.629 38.460 -0.341 0.000 0.988 628 Y HN 0.415 nan 8.280 nan 0.000 0.518 629 H N -0.748 118.380 119.070 0.096 0.000 2.293 629 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 629 H C 2.307 177.642 175.328 0.010 0.000 1.082 629 H CA 2.113 58.177 56.048 0.027 0.000 1.308 629 H CB -0.231 29.445 29.762 -0.142 0.000 1.375 629 H HN 0.185 nan 8.280 nan 0.000 0.495 630 R N 0.464 121.079 120.500 0.192 0.000 2.091 630 R HA -0.034 4.306 4.340 -0.000 0.000 0.238 630 R C 0.173 176.457 176.300 -0.027 0.000 1.136 630 R CA 0.929 57.085 56.100 0.094 0.000 0.959 630 R CB -0.046 30.314 30.300 0.100 0.000 0.856 630 R HN 0.228 nan 8.270 nan 0.000 0.437 631 L N 0.978 122.131 121.223 -0.117 0.000 2.506 631 L HA 0.262 4.602 4.340 -0.000 0.000 0.247 631 L C 0.571 177.221 176.870 -0.366 0.000 1.141 631 L CA -0.356 54.370 54.840 -0.190 0.000 0.973 631 L CB 1.727 43.638 42.059 -0.248 0.000 1.319 631 L HN 0.041 nan 8.230 nan 0.000 0.455 632 S N 1.335 116.901 115.700 -0.223 0.000 2.382 632 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 632 S C 1.731 176.293 174.600 -0.064 0.000 1.027 632 S CA 1.475 59.572 58.200 -0.172 0.000 0.991 632 S CB -0.246 62.974 63.200 0.033 0.000 0.823 632 S HN 0.762 nan 8.310 nan 0.000 0.469 633 F N 1.512 121.353 119.950 -0.181 0.000 2.346 633 F HA -0.074 4.453 4.527 -0.000 0.000 0.301 633 F C 1.795 177.659 175.800 0.106 0.000 1.070 633 F CA 0.860 58.770 58.000 -0.151 0.000 1.407 633 F CB -0.883 37.848 39.000 -0.450 0.000 1.072 633 F HN 0.093 nan 8.300 nan 0.000 0.543 634 M N 0.220 119.319 119.600 -0.836 0.000 2.296 634 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 634 M C 1.160 177.353 176.300 -0.179 0.000 1.064 634 M CA 1.640 56.577 55.300 -0.605 0.000 1.109 634 M CB -0.432 31.789 32.600 -0.632 0.000 1.396 634 M HN 0.111 nan 8.290 nan 0.000 0.430 635 D N 0.061 120.395 120.400 -0.111 0.000 2.360 635 D HA 0.076 4.716 4.640 -0.000 0.000 0.210 635 D C -0.293 176.041 176.300 0.057 0.000 1.047 635 D CA 0.581 54.569 54.000 -0.019 0.000 0.854 635 D CB 0.492 41.251 40.800 -0.068 0.000 0.936 635 D HN -0.074 nan 8.370 nan 0.000 0.514 636 K N -0.186 120.310 120.400 0.160 0.000 2.324 636 K HA 0.333 4.653 4.320 -0.000 0.000 0.253 636 K C 0.352 177.097 176.600 0.242 0.000 0.932 636 K CA -0.366 55.951 56.287 0.049 0.000 0.799 636 K CB 1.700 33.917 32.500 -0.471 0.000 1.154 636 K HN -0.292 nan 8.250 nan 0.000 0.425 637 Q N 0.841 120.739 119.800 0.164 0.000 2.354 637 Q HA 0.244 4.584 4.340 -0.000 0.000 0.203 637 Q C -0.181 175.983 176.000 0.272 0.000 0.933 637 Q CA 0.502 56.458 55.803 0.255 0.000 0.901 637 Q CB 0.457 29.348 28.738 0.255 0.000 1.007 637 Q HN 0.356 nan 8.270 nan 0.000 0.495 638 L N -0.042 121.273 121.223 0.155 0.000 2.386 638 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 638 L C -1.924 174.978 176.870 0.052 0.000 0.993 638 L CA -0.618 54.333 54.840 0.184 0.000 0.819 638 L CB 1.396 43.538 42.059 0.137 0.000 1.294 638 L HN 0.184 nan 8.230 nan 0.000 0.414 639 W N 3.579 125.016 121.300 0.229 0.000 3.127 639 W HA 0.638 5.298 4.660 -0.000 0.000 0.330 639 W C -1.186 175.529 176.519 0.327 0.000 1.187 639 W CA -0.560 56.923 57.345 0.231 0.000 1.198 639 W CB 2.024 31.588 29.460 0.174 0.000 1.408 639 W HN 0.075 nan 8.180 nan 0.000 0.529 640 V N 2.372 122.584 119.914 0.497 0.000 2.567 640 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 640 V C -0.257 176.049 176.094 0.353 0.000 1.047 640 V CA -0.833 61.717 62.300 0.417 0.000 0.880 640 V CB 1.368 33.344 31.823 0.255 0.000 1.009 640 V HN 0.575 nan 8.190 nan 0.000 0.429 641 T N 1.607 116.399 114.554 0.397 0.000 2.930 641 T HA 0.701 5.051 4.350 -0.000 0.000 0.290 641 T C -0.233 174.569 174.700 0.171 0.000 1.052 641 T CA -1.027 61.238 62.100 0.276 0.000 1.017 641 T CB 1.796 70.838 68.868 0.291 0.000 1.137 641 T HN 0.514 nan 8.240 nan 0.000 0.511 642 R N 0.573 121.094 120.500 0.035 0.000 2.543 642 R HA 0.202 4.542 4.340 -0.000 0.000 0.277 642 R C -0.470 175.660 176.300 -0.285 0.000 1.074 642 R CA -0.618 55.415 56.100 -0.112 0.000 1.076 642 R CB 0.142 30.321 30.300 -0.200 0.000 0.993 642 R HN 0.688 nan 8.270 nan 0.000 0.459 643 Y N 2.913 123.064 120.300 -0.248 0.000 2.721 643 Y HA -0.085 4.465 4.550 -0.000 0.000 0.329 643 Y C -0.581 175.131 175.900 -0.314 0.000 1.211 643 Y CA 0.630 58.612 58.100 -0.197 0.000 1.512 643 Y CB 0.229 38.637 38.460 -0.087 0.000 1.249 643 Y HN 0.522 nan 8.280 nan 0.000 0.549 644 H N 7.437 126.001 119.070 -0.843 0.000 3.224 644 H HA 0.176 4.732 4.556 -0.000 0.000 0.331 644 H C -1.921 172.962 175.328 -0.742 0.000 1.002 644 H CA -1.786 53.817 56.048 -0.741 0.000 1.473 644 H CB 1.595 31.145 29.762 -0.353 0.000 1.830 644 H HN 0.464 nan 8.280 nan 0.000 0.485 645 P HA -0.166 nan 4.420 nan 0.000 0.220 645 P C 1.324 178.518 177.300 -0.176 0.000 1.144 645 P CA 1.425 64.368 63.100 -0.260 0.000 0.800 645 P CB 0.265 31.904 31.700 -0.101 0.000 0.772 646 G N -0.402 108.290 108.800 -0.180 0.000 2.777 646 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.211 646 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.211 646 G C 0.402 175.181 174.900 -0.202 0.000 1.149 646 G CA -0.084 44.931 45.100 -0.141 0.000 0.785 646 G HN 0.335 nan 8.290 nan 0.000 0.536 647 E N 0.405 120.404 120.200 -0.335 0.000 2.055 647 E HA 0.462 4.812 4.350 -0.000 0.000 0.274 647 E C 0.099 176.453 176.600 -0.410 0.000 0.949 647 E CA -0.380 55.617 56.400 -0.672 0.000 0.775 647 E CB 1.149 30.101 29.700 -1.247 0.000 1.097 647 E HN 0.243 nan 8.360 nan 0.000 0.404 648 R N 1.765 122.023 120.500 -0.403 0.000 2.555 648 R HA 0.196 4.536 4.340 -0.000 0.000 0.312 648 R C -0.522 175.530 176.300 -0.413 0.000 0.938 648 R CA -0.145 55.671 56.100 -0.473 0.000 1.112 648 R CB 0.684 30.413 30.300 -0.951 0.000 1.535 648 R HN 0.251 nan 8.270 nan 0.000 0.525 649 F N 2.427 122.579 119.950 0.338 0.000 2.477 649 F HA 0.387 4.914 4.527 -0.000 0.000 0.335 649 F C -1.567 174.244 175.800 0.017 0.000 1.130 649 F CA -3.082 55.017 58.000 0.165 0.000 0.948 649 F CB 1.496 40.504 39.000 0.013 0.000 1.154 649 F HN -0.274 nan 8.300 nan 0.000 0.439 650 P HA -0.217 nan 4.420 nan 0.000 0.216 650 P C 0.845 177.882 177.300 -0.438 0.000 1.150 650 P CA 1.809 64.584 63.100 -0.542 0.000 0.837 650 P CB 0.254 31.330 31.700 -1.040 0.000 0.786 651 E N 0.477 120.503 120.200 -0.291 0.000 2.489 651 E HA 0.167 4.517 4.350 -0.000 0.000 0.193 651 E C 0.887 177.439 176.600 -0.081 0.000 1.057 651 E CA 0.582 56.949 56.400 -0.054 0.000 0.866 651 E CB -0.594 29.123 29.700 0.028 0.000 0.916 651 E HN 0.216 nan 8.360 nan 0.000 0.500 652 G N 1.730 110.486 108.800 -0.074 0.000 2.663 652 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.686 652 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.686 652 G C 0.075 174.984 174.900 0.016 0.000 1.246 652 G CA -0.077 44.993 45.100 -0.050 0.000 0.795 652 G HN 0.136 nan 8.290 nan 0.000 0.627 653 K N -0.463 119.963 120.400 0.043 0.000 2.032 653 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 653 K C 0.580 176.825 176.600 -0.593 0.000 1.048 653 K CA 1.620 57.785 56.287 -0.203 0.000 0.927 653 K CB -0.110 32.249 32.500 -0.235 0.000 0.712 653 K HN 0.525 nan 8.250 nan 0.000 0.441 654 Y N 0.722 120.995 120.300 -0.045 0.000 2.836 654 Y HA 0.231 4.781 4.550 -0.000 0.000 0.359 654 Y C -1.833 174.015 175.900 -0.087 0.000 1.060 654 Y CA -2.015 56.042 58.100 -0.071 0.000 1.161 654 Y CB 1.226 39.656 38.460 -0.050 0.000 1.225 654 Y HN 0.201 nan 8.280 nan 0.000 0.621 655 P HA -0.140 nan 4.420 nan 0.000 0.230 655 P C 0.062 177.338 177.300 -0.040 0.000 1.158 655 P CA 0.666 63.740 63.100 -0.044 0.000 0.769 655 P CB 0.423 32.089 31.700 -0.057 0.000 0.807 656 N N 1.664 120.352 118.700 -0.020 0.000 2.431 656 N HA -0.003 4.737 4.740 -0.000 0.000 0.265 656 N C 0.275 175.696 175.510 -0.148 0.000 1.184 656 N CA 0.119 53.130 53.050 -0.066 0.000 0.943 656 N CB -0.431 38.033 38.487 -0.038 0.000 1.080 656 N HN -0.094 nan 8.380 nan 0.000 0.477 657 R N 0.349 120.732 120.500 -0.196 0.000 3.627 657 R HA -0.182 4.158 4.340 -0.000 0.000 0.281 657 R C -0.359 175.799 176.300 -0.235 0.000 1.140 657 R CA 0.836 56.786 56.100 -0.250 0.000 0.761 657 R CB -2.662 27.307 30.300 -0.552 0.000 1.181 657 R HN 0.729 nan 8.270 nan 0.000 0.472 658 S N -0.676 114.920 115.700 -0.175 0.000 2.549 658 S HA 0.111 4.581 4.470 -0.000 0.000 0.286 658 S C 1.576 175.969 174.600 -0.346 0.000 1.314 658 S CA 0.079 58.145 58.200 -0.223 0.000 1.062 658 S CB 1.608 64.702 63.200 -0.176 0.000 0.865 658 S HN 0.343 nan 8.310 nan 0.000 0.498 659 T N -1.876 112.418 114.554 -0.434 0.000 3.081 659 T HA 0.131 4.481 4.350 -0.000 0.000 0.255 659 T C 0.600 175.407 174.700 0.177 0.000 1.113 659 T CA 0.533 62.311 62.100 -0.537 0.000 1.082 659 T CB -0.668 67.889 68.868 -0.518 0.000 0.939 659 T HN 0.988 nan 8.240 nan 0.000 0.506 660 H N -1.708 117.357 119.070 -0.008 0.000 2.932 660 H HA 0.424 4.980 4.556 -0.000 0.000 0.307 660 H C -1.996 173.346 175.328 0.022 0.000 1.391 660 H CA -1.039 55.056 56.048 0.078 0.000 1.130 660 H CB 0.449 30.244 29.762 0.056 0.000 1.836 660 H HN 0.003 nan 8.280 nan 0.000 0.522 661 D N 1.348 121.769 120.400 0.035 0.000 2.346 661 D HA 0.062 4.702 4.640 -0.000 0.000 0.260 661 D C 0.878 177.084 176.300 -0.157 0.000 1.252 661 D CA 0.411 54.362 54.000 -0.082 0.000 0.895 661 D CB 0.760 41.535 40.800 -0.042 0.000 1.097 661 D HN 0.629 nan 8.370 nan 0.000 0.489 662 T N 0.299 114.703 114.554 -0.251 0.000 3.069 662 T HA 0.320 4.669 4.350 -0.000 0.000 0.252 662 T C 1.102 175.536 174.700 -0.442 0.000 1.053 662 T CA -0.010 61.941 62.100 -0.248 0.000 0.964 662 T CB 0.713 69.474 68.868 -0.179 0.000 1.005 662 T HN 0.252 nan 8.240 nan 0.000 0.532 663 G N 1.564 110.028 108.800 -0.560 0.000 3.411 663 G HA2 0.430 4.390 3.960 -0.000 0.000 0.186 663 G HA3 0.430 4.390 3.960 -0.000 0.000 0.186 663 G C 0.898 174.869 174.900 -1.548 0.000 1.766 663 G CA -0.528 43.984 45.100 -0.981 0.000 0.971 663 G HN 0.300 nan 8.290 nan 0.000 0.590 664 L N 0.985 121.573 121.223 -1.057 0.000 2.127 664 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 664 L C 3.114 179.644 176.870 -0.568 0.000 1.089 664 L CA 1.085 55.349 54.840 -0.960 0.000 0.757 664 L CB -0.590 40.589 42.059 -1.467 0.000 0.899 664 L HN 0.550 nan 8.230 nan 0.000 0.434 665 G N -0.783 107.773 108.800 -0.407 0.000 2.440 665 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 665 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 665 G C 1.500 176.345 174.900 -0.092 0.000 1.154 665 G CA 0.856 45.887 45.100 -0.114 0.000 0.767 665 G HN 0.439 nan 8.290 nan 0.000 0.552 666 Q N -1.036 118.626 119.800 -0.230 0.000 2.096 666 Q HA -0.090 4.250 4.340 -0.000 0.000 0.197 666 Q C 2.310 178.305 176.000 -0.007 0.000 0.964 666 Q CA 0.888 56.614 55.803 -0.128 0.000 0.838 666 Q CB -0.197 28.433 28.738 -0.182 0.000 0.906 666 Q HN 0.528 nan 8.270 nan 0.000 0.444 667 Y N 0.656 120.913 120.300 -0.071 0.000 2.274 667 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 667 Y C 2.693 178.611 175.900 0.031 0.000 1.145 667 Y CA 1.309 59.383 58.100 -0.043 0.000 1.203 667 Y CB -0.676 37.683 38.460 -0.168 0.000 0.984 667 Y HN 0.311 nan 8.280 nan 0.000 0.533 668 S N -0.580 115.232 115.700 0.187 0.000 2.503 668 S HA -0.015 4.454 4.470 -0.000 0.000 0.217 668 S C 1.895 176.590 174.600 0.158 0.000 0.999 668 S CA 0.196 58.518 58.200 0.204 0.000 0.914 668 S CB -0.174 63.207 63.200 0.301 0.000 0.782 668 S HN 0.393 nan 8.310 nan 0.000 0.520 669 K N 1.680 122.156 120.400 0.126 0.000 2.127 669 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 669 K C 0.486 177.142 176.600 0.092 0.000 1.050 669 K CA 2.208 58.554 56.287 0.098 0.000 0.929 669 K CB -0.437 32.108 32.500 0.075 0.000 0.715 669 K HN 0.305 nan 8.250 nan 0.000 0.457 670 D N 0.347 120.808 120.400 0.102 0.000 2.349 670 D HA -0.063 4.577 4.640 -0.000 0.000 0.224 670 D C -0.177 176.176 176.300 0.089 0.000 1.029 670 D CA 0.284 54.337 54.000 0.089 0.000 0.879 670 D CB -0.586 40.270 40.800 0.093 0.000 0.906 670 D HN 0.409 nan 8.370 nan 0.000 0.528 671 N N 1.403 120.162 118.700 0.098 0.000 2.686 671 N HA -0.211 4.529 4.740 -0.000 0.000 0.261 671 N C -0.730 174.831 175.510 0.086 0.000 1.001 671 N CA 0.062 53.165 53.050 0.089 0.000 0.764 671 N CB -0.300 38.230 38.487 0.070 0.000 0.898 671 N HN 0.341 nan 8.380 nan 0.000 0.544 672 E N 0.109 120.368 120.200 0.099 0.000 2.371 672 E HA 0.147 4.497 4.350 -0.000 0.000 0.257 672 E C 0.260 176.909 176.600 0.083 0.000 1.134 672 E CA -0.502 55.953 56.400 0.092 0.000 0.919 672 E CB 0.830 30.594 29.700 0.108 0.000 1.025 672 E HN 0.262 nan 8.360 nan 0.000 0.438 673 S N 0.645 116.388 115.700 0.073 0.000 2.549 673 S HA 0.071 4.541 4.470 -0.000 0.000 0.283 673 S C 0.411 175.052 174.600 0.068 0.000 1.320 673 S CA -0.325 57.914 58.200 0.066 0.000 1.058 673 S CB 0.135 63.369 63.200 0.057 0.000 0.882 673 S HN 0.440 nan 8.310 nan 0.000 0.498 674 L N 3.055 124.319 121.223 0.069 0.000 3.014 674 L HA 0.335 4.675 4.340 -0.000 0.000 0.263 674 L C 0.037 176.944 176.870 0.060 0.000 1.207 674 L CA -0.200 54.683 54.840 0.071 0.000 1.017 674 L CB 0.217 42.327 42.059 0.085 0.000 1.360 674 L HN 0.586 nan 8.230 nan 0.000 0.560 675 D N 1.297 121.728 120.400 0.053 0.000 2.325 675 D HA 0.030 4.670 4.640 -0.000 0.000 0.251 675 D C 0.737 177.060 176.300 0.040 0.000 1.196 675 D CA 0.093 54.120 54.000 0.045 0.000 0.866 675 D CB 0.296 41.121 40.800 0.042 0.000 1.101 675 D HN 0.155 nan 8.370 nan 0.000 0.476 676 N N 2.779 121.500 118.700 0.036 0.000 2.686 676 N HA -0.262 4.478 4.740 -0.000 0.000 0.261 676 N C -1.269 174.259 175.510 0.030 0.000 1.001 676 N CA 0.689 53.757 53.050 0.029 0.000 0.764 676 N CB -0.403 38.098 38.487 0.023 0.000 0.898 676 N HN 0.438 nan 8.380 nan 0.000 0.544 677 T N -0.449 114.127 114.554 0.037 0.000 2.787 677 T HA 0.144 4.494 4.350 -0.000 0.000 0.297 677 T C -1.643 173.083 174.700 0.043 0.000 1.221 677 T CA -0.643 61.480 62.100 0.039 0.000 1.006 677 T CB 1.496 70.391 68.868 0.045 0.000 1.328 677 T HN 0.204 nan 8.240 nan 0.000 0.509 678 D N 1.509 121.938 120.400 0.048 0.000 2.342 678 D HA 0.499 5.139 4.640 -0.000 0.000 0.260 678 D C -0.238 176.113 176.300 0.084 0.000 1.278 678 D CA 0.042 54.074 54.000 0.053 0.000 0.910 678 D CB 0.413 41.246 40.800 0.055 0.000 1.079 678 D HN 0.731 nan 8.370 nan 0.000 0.496 679 A N 3.231 126.100 122.820 0.082 0.000 2.320 679 A HA 0.649 4.969 4.320 -0.000 0.000 0.334 679 A C -0.767 176.887 177.584 0.117 0.000 1.147 679 A CA -0.682 51.420 52.037 0.108 0.000 0.820 679 A CB 1.541 20.604 19.000 0.105 0.000 1.218 679 A HN 0.356 nan 8.150 nan 0.000 0.482 680 V N 2.189 122.199 119.914 0.159 0.000 2.444 680 V HA 0.357 4.477 4.120 -0.000 0.000 0.294 680 V C -0.304 175.867 176.094 0.127 0.000 1.022 680 V CA -0.532 61.825 62.300 0.095 0.000 0.850 680 V CB 1.419 33.305 31.823 0.105 0.000 0.992 680 V HN 0.650 nan 8.190 nan 0.000 0.426 681 V N 4.250 124.164 119.914 0.001 0.000 2.465 681 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 681 V C -0.863 175.216 176.094 -0.025 0.000 1.045 681 V CA -0.417 61.946 62.300 0.105 0.000 0.938 681 V CB 1.334 33.205 31.823 0.079 0.000 0.986 681 V HN 0.899 nan 8.190 nan 0.000 0.467 682 W N 4.742 126.170 121.300 0.212 0.000 2.475 682 W HA 0.697 5.357 4.660 -0.000 0.000 0.320 682 W C -0.249 176.443 176.519 0.288 0.000 1.022 682 W CA -0.644 56.828 57.345 0.213 0.000 1.240 682 W CB 1.224 30.773 29.460 0.148 0.000 1.328 682 W HN 0.291 nan 8.180 nan 0.000 0.439 683 M N 3.271 123.127 119.600 0.428 0.000 2.149 683 M HA 0.375 4.855 4.480 -0.000 0.000 0.342 683 M C -0.223 176.321 176.300 0.407 0.000 1.068 683 M CA -0.213 55.316 55.300 0.382 0.000 0.991 683 M CB 1.517 34.286 32.600 0.281 0.000 1.596 683 M HN 0.222 nan 8.290 nan 0.000 0.439 684 T N 1.815 116.620 114.554 0.420 0.000 2.756 684 T HA 0.418 4.768 4.350 -0.000 0.000 0.290 684 T C -0.264 174.632 174.700 0.327 0.000 0.985 684 T CA -0.307 62.028 62.100 0.393 0.000 0.955 684 T CB 1.120 70.275 68.868 0.479 0.000 0.930 684 T HN 0.655 nan 8.240 nan 0.000 0.451 685 T N 2.148 116.902 114.554 0.333 0.000 2.893 685 T HA 0.783 5.133 4.350 -0.000 0.000 0.293 685 T C -0.273 174.622 174.700 0.324 0.000 1.027 685 T CA -0.319 61.981 62.100 0.333 0.000 0.988 685 T CB 1.256 70.364 68.868 0.400 0.000 1.043 685 T HN 0.798 nan 8.240 nan 0.000 0.461 686 G N 1.468 110.409 108.800 0.234 0.000 2.721 686 G HA2 0.731 4.691 3.960 -0.000 0.000 0.296 686 G HA3 0.731 4.691 3.960 -0.000 0.000 0.296 686 G C -0.789 174.203 174.900 0.152 0.000 1.383 686 G CA -0.240 44.962 45.100 0.169 0.000 0.788 686 G HN 1.016 nan 8.290 nan 0.000 0.500 687 T N -2.961 111.673 114.554 0.133 0.000 2.906 687 T HA 0.688 5.038 4.350 -0.000 0.000 0.295 687 T C -0.791 173.918 174.700 0.016 0.000 1.075 687 T CA -0.596 61.575 62.100 0.118 0.000 1.005 687 T CB 1.953 70.962 68.868 0.235 0.000 1.136 687 T HN 0.478 nan 8.240 nan 0.000 0.498 688 T N 2.090 116.618 114.554 -0.043 0.000 2.770 688 T HA 0.320 4.670 4.350 -0.000 0.000 0.297 688 T C -0.629 173.955 174.700 -0.193 0.000 0.997 688 T CA -0.399 61.623 62.100 -0.131 0.000 0.949 688 T CB -0.175 68.624 68.868 -0.114 0.000 0.941 688 T HN 0.779 nan 8.240 nan 0.000 0.457 689 H N 3.273 122.063 119.070 -0.467 0.000 2.690 689 H HA 0.508 5.064 4.556 -0.000 0.000 0.289 689 H C -0.913 174.130 175.328 -0.474 0.000 1.089 689 H CA -0.717 54.973 56.048 -0.596 0.000 1.299 689 H CB 0.449 29.815 29.762 -0.660 0.000 1.405 689 H HN 0.294 nan 8.280 nan 0.000 0.463 690 V N 5.443 125.304 119.914 -0.088 0.000 2.328 690 V HA 0.308 4.428 4.120 -0.000 0.000 0.278 690 V C 0.586 176.682 176.094 0.003 0.000 1.021 690 V CA -0.595 61.642 62.300 -0.105 0.000 0.838 690 V CB 0.597 32.363 31.823 -0.094 0.000 0.999 690 V HN 0.942 nan 8.190 nan 0.000 0.447 691 A N 6.598 129.356 122.820 -0.104 0.000 2.475 691 A HA 0.590 4.910 4.320 -0.000 0.000 0.239 691 A C 0.418 178.034 177.584 0.053 0.000 1.087 691 A CA 0.278 52.314 52.037 -0.002 0.000 0.779 691 A CB 0.348 19.287 19.000 -0.101 0.000 1.036 691 A HN 0.856 nan 8.150 nan 0.000 0.506 692 R N -0.982 119.583 120.500 0.108 0.000 2.774 692 R HA 0.524 4.864 4.340 -0.000 0.000 0.272 692 R C 0.811 177.167 176.300 0.093 0.000 1.000 692 R CA -0.241 55.910 56.100 0.084 0.000 0.906 692 R CB 1.784 32.151 30.300 0.111 0.000 1.227 692 R HN 0.745 nan 8.270 nan 0.000 0.468 693 A N 0.966 123.826 122.820 0.067 0.000 1.972 693 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 693 A C 1.332 178.999 177.584 0.139 0.000 1.169 693 A CA 1.520 53.610 52.037 0.090 0.000 0.635 693 A CB -0.301 18.728 19.000 0.049 0.000 0.810 693 A HN 0.768 nan 8.150 nan 0.000 0.446 694 E N 0.346 120.613 120.200 0.111 0.000 2.396 694 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 694 E C 1.177 177.850 176.600 0.123 0.000 1.023 694 E CA 1.156 57.618 56.400 0.103 0.000 0.857 694 E CB -0.148 29.602 29.700 0.083 0.000 0.775 694 E HN 0.781 nan 8.360 nan 0.000 0.525 695 E N -1.003 119.303 120.200 0.177 0.000 2.465 695 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 695 E C -0.420 176.347 176.600 0.278 0.000 1.028 695 E CA -0.288 56.233 56.400 0.202 0.000 0.899 695 E CB 0.455 30.316 29.700 0.269 0.000 1.032 695 E HN 0.193 nan 8.360 nan 0.000 0.468 696 W N 1.996 123.309 121.300 0.022 0.000 2.785 696 W HA 0.251 4.911 4.660 -0.000 0.000 0.333 696 W C -2.217 174.314 176.519 0.020 0.000 1.062 696 W CA -2.086 55.266 57.345 0.013 0.000 1.233 696 W CB 1.652 31.118 29.460 0.010 0.000 1.413 696 W HN -0.125 nan 8.180 nan 0.000 0.489 697 P HA 0.056 nan 4.420 nan 0.000 0.233 697 P C 0.097 177.050 177.300 -0.579 0.000 1.167 697 P CA 0.889 63.310 63.100 -1.132 0.000 0.770 697 P CB 1.463 32.657 31.700 -0.843 0.000 0.837 698 I N -0.242 120.169 120.570 -0.266 0.000 2.582 698 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 698 I C -0.491 175.560 176.117 -0.109 0.000 1.066 698 I CA -1.648 59.510 61.300 -0.236 0.000 1.053 698 I CB 2.367 40.224 38.000 -0.239 0.000 1.241 698 I HN -0.310 nan 8.210 nan 0.000 0.421 699 M N 8.816 128.348 119.600 -0.113 0.000 2.194 699 M HA 0.287 4.767 4.480 -0.000 0.000 0.347 699 M C -2.344 173.899 176.300 -0.095 0.000 1.439 699 M CA -1.332 53.938 55.300 -0.051 0.000 1.131 699 M CB 0.197 32.777 32.600 -0.034 0.000 1.733 699 M HN 0.226 nan 8.290 nan 0.000 0.467 700 P HA 0.023 nan 4.420 nan 0.000 0.267 700 P C -0.633 176.588 177.300 -0.131 0.000 1.209 700 P CA 0.042 63.102 63.100 -0.067 0.000 0.763 700 P CB 0.346 32.031 31.700 -0.025 0.000 0.816 701 T N 4.230 118.695 114.554 -0.149 0.000 2.800 701 T HA -0.010 4.340 4.350 -0.000 0.000 0.283 701 T C 0.310 174.830 174.700 -0.300 0.000 0.999 701 T CA 0.339 62.274 62.100 -0.274 0.000 1.176 701 T CB -0.189 68.543 68.868 -0.228 0.000 0.973 701 T HN 0.325 nan 8.240 nan 0.000 0.519 702 E N 2.429 122.338 120.200 -0.485 0.000 2.166 702 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 702 E C -0.779 175.521 176.600 -0.500 0.000 0.941 702 E CA -0.452 55.675 56.400 -0.456 0.000 0.784 702 E CB 1.467 30.719 29.700 -0.746 0.000 1.115 702 E HN 0.598 nan 8.360 nan 0.000 0.399 703 W N 1.473 122.636 121.300 -0.227 0.000 2.706 703 W HA 0.514 5.174 4.660 0.000 0.000 0.346 703 W C -0.246 176.050 176.519 -0.372 0.000 1.071 703 W CA -0.806 56.374 57.345 -0.275 0.000 1.206 703 W CB 1.387 30.705 29.460 -0.236 0.000 1.413 703 W HN 0.200 nan 8.180 nan 0.000 0.542 704 V N -0.639 119.171 119.914 -0.173 0.000 2.789 704 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 704 V C -0.870 174.981 176.094 -0.404 0.000 1.073 704 V CA -0.946 61.213 62.300 -0.235 0.000 0.921 704 V CB 1.796 33.676 31.823 0.095 0.000 1.009 704 V HN 0.636 nan 8.190 nan 0.000 0.426 705 H N 2.446 121.559 119.070 0.071 0.000 2.572 705 H HA 0.814 5.370 4.556 -0.000 0.000 0.359 705 H C -0.163 175.134 175.328 -0.052 0.000 1.134 705 H CA 0.060 56.091 56.048 -0.028 0.000 1.187 705 H CB 2.269 31.980 29.762 -0.086 0.000 1.597 705 H HN 1.050 nan 8.280 nan 0.000 0.524 706 T N 0.076 114.630 114.554 0.001 0.000 2.901 706 T HA 0.657 5.007 4.350 -0.000 0.000 0.293 706 T C -0.885 173.738 174.700 -0.128 0.000 1.084 706 T CA -0.824 61.237 62.100 -0.065 0.000 1.008 706 T CB 1.992 70.805 68.868 -0.093 0.000 1.170 706 T HN 0.248 nan 8.240 nan 0.000 0.509 707 L N 0.506 121.652 121.223 -0.128 0.000 2.518 707 L HA 0.705 5.045 4.340 -0.000 0.000 0.257 707 L C -1.775 175.039 176.870 -0.094 0.000 0.980 707 L CA -0.840 53.922 54.840 -0.130 0.000 0.837 707 L CB 2.305 44.306 42.059 -0.096 0.000 1.410 707 L HN 0.830 nan 8.230 nan 0.000 0.410 708 L N 3.408 124.589 121.223 -0.070 0.000 2.415 708 L HA 0.525 4.865 4.340 -0.000 0.000 0.268 708 L C -0.803 176.175 176.870 0.180 0.000 0.984 708 L CA -0.627 54.250 54.840 0.062 0.000 0.853 708 L CB 1.537 43.595 42.059 -0.002 0.000 1.215 708 L HN 0.478 nan 8.230 nan 0.000 0.419 709 K N 4.312 124.803 120.400 0.153 0.000 2.182 709 K HA 0.499 4.819 4.320 -0.000 0.000 0.262 709 K C -2.554 173.863 176.600 -0.305 0.000 0.957 709 K CA -1.799 54.498 56.287 0.017 0.000 0.842 709 K CB 2.004 34.526 32.500 0.036 0.000 1.099 709 K HN 0.208 nan 8.250 nan 0.000 0.438 710 P HA -0.048 nan 4.420 nan 0.000 0.271 710 P C -0.993 176.136 177.300 -0.285 0.000 1.220 710 P CA -0.093 62.370 63.100 -1.061 0.000 0.768 710 P CB 0.569 31.883 31.700 -0.644 0.000 0.848 711 W N 5.922 127.016 121.300 -0.342 0.000 2.466 711 W HA 0.169 4.829 4.660 -0.000 0.000 0.303 711 W C -0.299 176.181 176.519 -0.065 0.000 0.999 711 W CA -0.296 56.969 57.345 -0.133 0.000 1.437 711 W CB 0.007 29.413 29.460 -0.090 0.000 1.274 711 W HN 0.552 nan 8.180 nan 0.000 0.417 712 N N 3.351 121.969 118.700 -0.136 0.000 2.741 712 N HA -0.327 4.413 4.740 -0.000 0.000 0.251 712 N C 0.433 175.930 175.510 -0.021 0.000 1.112 712 N CA 1.561 54.573 53.050 -0.064 0.000 0.750 712 N CB -1.952 36.542 38.487 0.013 0.000 1.119 712 N HN 0.545 nan 8.380 nan 0.000 0.561 713 F N -0.019 119.786 119.950 -0.242 0.000 2.206 713 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 713 F C 0.826 176.277 175.800 -0.581 0.000 1.090 713 F CA 0.892 58.630 58.000 -0.436 0.000 1.323 713 F CB 0.183 38.786 39.000 -0.660 0.000 1.028 713 F HN -0.033 nan 8.300 nan 0.000 0.492 714 F N 0.165 120.134 119.950 0.032 0.000 2.461 714 F HA 0.264 4.791 4.527 -0.000 0.000 0.332 714 F C 1.206 176.956 175.800 -0.082 0.000 1.073 714 F CA -0.867 57.106 58.000 -0.045 0.000 1.017 714 F CB 0.281 39.250 39.000 -0.052 0.000 1.301 714 F HN -0.285 nan 8.300 nan 0.000 0.492 715 D N -0.426 120.063 120.400 0.148 0.000 2.398 715 D HA 0.097 4.737 4.640 -0.000 0.000 0.210 715 D C -0.076 176.230 176.300 0.009 0.000 1.094 715 D CA 0.472 54.494 54.000 0.036 0.000 0.839 715 D CB 0.476 41.284 40.800 0.014 0.000 0.963 715 D HN 0.739 nan 8.370 nan 0.000 0.506 716 E N -1.619 118.594 120.200 0.022 0.000 2.429 716 E HA 0.151 4.501 4.350 -0.000 0.000 0.277 716 E C -1.207 175.348 176.600 -0.075 0.000 1.130 716 E CA -0.800 55.576 56.400 -0.041 0.000 0.875 716 E CB 0.134 29.804 29.700 -0.050 0.000 1.443 716 E HN -0.300 nan 8.360 nan 0.000 0.444 717 T N 2.841 117.330 114.554 -0.108 0.000 2.704 717 T HA 0.014 4.364 4.350 -0.000 0.000 0.271 717 T C -1.802 172.808 174.700 -0.149 0.000 1.000 717 T CA -0.120 61.906 62.100 -0.123 0.000 1.216 717 T CB 0.020 68.798 68.868 -0.150 0.000 0.961 717 T HN 0.320 nan 8.240 nan 0.000 0.515 718 P HA -0.075 nan 4.420 nan 0.000 0.221 718 P C 1.543 178.721 177.300 -0.203 0.000 1.145 718 P CA 0.837 63.662 63.100 -0.459 0.000 0.795 718 P CB 0.025 31.207 31.700 -0.863 0.000 0.775 719 T N -4.790 109.732 114.554 -0.053 0.000 3.086 719 T HA 0.172 4.522 4.350 -0.000 0.000 0.250 719 T C 1.600 176.355 174.700 0.092 0.000 1.074 719 T CA -0.109 62.009 62.100 0.030 0.000 0.988 719 T CB -0.870 68.041 68.868 0.072 0.000 0.988 719 T HN -0.002 nan 8.240 nan 0.000 0.530 720 L N 1.212 122.481 121.223 0.077 0.000 2.079 720 L HA 0.185 4.525 4.340 -0.000 0.000 0.210 720 L C 1.633 178.527 176.870 0.041 0.000 1.081 720 L CA 1.440 56.328 54.840 0.079 0.000 0.752 720 L CB -0.952 41.107 42.059 -0.000 0.000 0.896 720 L HN 0.770 nan 8.230 nan 0.000 0.433 721 G N -1.830 106.972 108.800 0.004 0.000 2.541 721 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 721 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 721 G C -0.582 174.312 174.900 -0.010 0.000 1.286 721 G CA -0.608 44.488 45.100 -0.008 0.000 0.894 721 G HN 0.402 nan 8.290 nan 0.000 0.575 722 A N -0.215 122.598 122.820 -0.012 0.000 2.407 722 A HA 0.665 4.984 4.320 -0.000 0.000 0.248 722 A C 0.871 178.452 177.584 -0.006 0.000 1.082 722 A CA -0.052 51.980 52.037 -0.008 0.000 0.785 722 A CB 0.211 19.205 19.000 -0.009 0.000 1.020 722 A HN 1.271 nan 8.150 nan 0.000 0.489 723 L N 2.298 123.518 121.223 -0.006 0.000 2.380 723 L HA 0.157 4.497 4.340 -0.000 0.000 0.273 723 L C 0.828 177.694 176.870 -0.006 0.000 1.138 723 L CA -0.249 54.587 54.840 -0.006 0.000 0.832 723 L CB 0.619 42.674 42.059 -0.007 0.000 1.124 723 L HN 0.792 nan 8.230 nan 0.000 0.454 724 K N 0.000 120.397 120.400 -0.005 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 724 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543