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 2bzd_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDANKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMScDDGQT WPVSKVFQPG SMSYSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGIcA PFTIPDVALE PGQQVTVPVA VTNQSGIAVP KPSLQLDASP DATA SEQUENCE DWQVQGSVEP LMPGRQAKGQ VTITVPAGTT PGRYRVGATL RTSAGNASTT DATA SEQUENCE FTVTVGLLDQ ARMSIADVDS EETAREDGRA SNVIDGNPST FWHTEWSRAD DATA SEQUENCE APGYPHRISL DLGGTHTISG LQYTRRQNSA NEQVADYEIY TSLNGTTWDG DATA SEQUENCE PVASGRFTTS LAPQRAVFPA RDARYIRLVA LSEQTGHKYA AVAELEVEGQ DATA SEQUENCE R 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 47 G C 0.000 174.958 174.900 0.096 0.000 0.946 47 G CA 0.000 45.150 45.100 0.083 0.000 0.502 48 E N 2.843 123.101 120.200 0.096 0.000 2.344 48 E HA 0.453 4.803 4.350 -0.000 0.000 0.270 48 E C -1.946 174.745 176.600 0.151 0.000 1.021 48 E CA -1.357 55.109 56.400 0.109 0.000 0.887 48 E CB 0.861 30.618 29.700 0.095 0.000 0.997 48 E HN 0.215 nan 8.360 nan 0.000 0.429 49 P HA -0.058 nan 4.420 nan 0.000 0.263 49 P C -0.978 176.494 177.300 0.287 0.000 1.175 49 P CA 0.261 63.525 63.100 0.272 0.000 0.761 49 P CB 0.395 32.253 31.700 0.263 0.000 0.794 50 L N 4.664 126.098 121.223 0.351 0.000 2.441 50 L HA 0.516 4.856 4.340 -0.000 0.000 0.270 50 L C -1.733 175.260 176.870 0.205 0.000 0.973 50 L CA -0.811 54.174 54.840 0.243 0.000 0.842 50 L CB 1.496 43.647 42.059 0.153 0.000 1.239 50 L HN 0.238 nan 8.230 nan 0.000 0.406 51 Y N 3.426 123.692 120.300 -0.056 0.000 2.409 51 Y HA 0.780 5.330 4.550 0.000 0.000 0.343 51 Y C -0.515 175.315 175.900 -0.117 0.000 0.973 51 Y CA -0.174 57.763 58.100 -0.272 0.000 1.064 51 Y CB 2.156 40.214 38.460 -0.669 0.000 1.207 51 Y HN 0.694 nan 8.280 nan 0.000 0.452 52 T N 4.714 118.948 114.554 -0.534 0.000 2.889 52 T HA 0.446 4.796 4.350 -0.000 0.000 0.315 52 T C -2.103 172.346 174.700 -0.418 0.000 1.291 52 T CA -0.596 61.346 62.100 -0.262 0.000 1.028 52 T CB 1.518 70.325 68.868 -0.102 0.000 1.235 52 T HN 0.779 nan 8.240 nan 0.000 0.491 53 E N 1.901 122.028 120.200 -0.121 0.000 2.347 53 E HA 0.477 4.827 4.350 -0.000 0.000 0.285 53 E C -1.933 174.690 176.600 0.038 0.000 0.925 53 E CA -0.578 55.798 56.400 -0.039 0.000 0.779 53 E CB 1.341 31.135 29.700 0.156 0.000 1.233 53 E HN 0.703 nan 8.360 nan 0.000 0.414 54 Q N 3.042 122.864 119.800 0.037 0.000 2.403 54 Q HA 0.308 4.648 4.340 -0.000 0.000 0.267 54 Q C -1.601 174.366 176.000 -0.054 0.000 0.991 54 Q CA -0.848 54.969 55.803 0.024 0.000 0.906 54 Q CB 1.321 30.107 28.738 0.080 0.000 1.422 54 Q HN 0.406 nan 8.270 nan 0.000 0.400 55 D N 1.826 122.163 120.400 -0.106 0.000 2.400 55 D HA 0.164 4.804 4.640 -0.000 0.000 0.238 55 D C 0.519 176.657 176.300 -0.269 0.000 1.157 55 D CA 0.333 54.212 54.000 -0.201 0.000 0.889 55 D CB 0.896 41.582 40.800 -0.190 0.000 1.199 55 D HN 0.545 nan 8.370 nan 0.000 0.436 56 L N 0.818 121.804 121.223 -0.394 0.000 2.672 56 L HA 0.434 4.774 4.340 -0.000 0.000 0.236 56 L C 0.286 176.849 176.870 -0.512 0.000 1.092 56 L CA -0.012 54.547 54.840 -0.469 0.000 0.887 56 L CB 0.319 42.023 42.059 -0.592 0.000 1.168 56 L HN 0.359 nan 8.230 nan 0.000 0.502 57 A N 0.149 122.592 122.820 -0.629 0.000 2.488 57 A HA 0.691 5.011 4.320 -0.000 0.000 0.295 57 A C -1.323 175.907 177.584 -0.591 0.000 1.045 57 A CA -0.336 51.163 52.037 -0.897 0.000 0.703 57 A CB 1.688 19.706 19.000 -1.637 0.000 1.271 57 A HN -0.181 nan 8.150 nan 0.000 0.400 58 V N 2.438 122.115 119.914 -0.394 0.000 2.656 58 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 58 V C -0.425 175.755 176.094 0.143 0.000 1.051 58 V CA -1.128 61.110 62.300 -0.104 0.000 0.893 58 V CB 2.134 33.913 31.823 -0.074 0.000 0.999 58 V HN 0.849 nan 8.190 nan 0.000 0.426 59 N N 3.822 122.621 118.700 0.165 0.000 2.399 59 N HA 0.304 5.044 4.740 -0.000 0.000 0.284 59 N C 0.994 176.574 175.510 0.116 0.000 1.283 59 N CA 1.174 54.336 53.050 0.187 0.000 0.972 59 N CB 0.725 39.265 38.487 0.089 0.000 1.328 59 N HN 1.174 nan 8.380 nan 0.000 0.486 60 G N 1.474 110.361 108.800 0.145 0.000 2.164 60 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.154 60 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.154 60 G C 0.056 175.015 174.900 0.099 0.000 1.014 60 G CA -0.641 44.507 45.100 0.080 0.000 0.683 60 G HN 0.495 nan 8.290 nan 0.000 0.500 61 R N -0.027 120.584 120.500 0.184 0.000 2.750 61 R HA 0.601 4.941 4.340 -0.000 0.000 0.281 61 R C 0.320 176.762 176.300 0.236 0.000 0.972 61 R CA -0.669 55.521 56.100 0.149 0.000 0.912 61 R CB 1.086 31.439 30.300 0.088 0.000 1.187 61 R HN 0.030 nan 8.270 nan 0.000 0.464 62 E N 0.176 120.467 120.200 0.152 0.000 3.170 62 E HA -0.246 4.104 4.350 -0.000 0.000 0.284 62 E C 0.633 177.366 176.600 0.221 0.000 0.967 62 E CA 1.520 58.024 56.400 0.174 0.000 0.919 62 E CB -1.461 28.339 29.700 0.167 0.000 1.469 62 E HN 1.169 nan 8.360 nan 0.000 0.444 63 G N -1.293 107.579 108.800 0.121 0.000 2.421 63 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.188 63 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.188 63 G C -0.035 174.577 174.900 -0.480 0.000 1.001 63 G CA -0.154 44.871 45.100 -0.125 0.000 0.693 63 G HN 0.120 nan 8.290 nan 0.000 0.479 64 F N 0.771 120.675 119.950 -0.076 0.000 2.563 64 F HA 0.589 5.116 4.527 -0.000 0.000 0.316 64 F C -1.523 174.135 175.800 -0.236 0.000 1.076 64 F CA -1.937 55.899 58.000 -0.274 0.000 0.921 64 F CB 2.443 41.083 39.000 -0.602 0.000 1.209 64 F HN -0.181 nan 8.300 nan 0.000 0.462 65 P HA -0.062 nan 4.420 nan 0.000 0.236 65 P C -0.635 176.640 177.300 -0.042 0.000 1.177 65 P CA 0.903 63.990 63.100 -0.022 0.000 0.773 65 P CB 0.551 32.238 31.700 -0.022 0.000 0.878 66 N N -0.563 118.055 118.700 -0.136 0.000 2.406 66 N HA 0.139 4.879 4.740 -0.000 0.000 0.283 66 N C -1.922 173.396 175.510 -0.320 0.000 1.074 66 N CA -0.372 52.596 53.050 -0.137 0.000 0.916 66 N CB 1.480 39.919 38.487 -0.081 0.000 1.639 66 N HN -0.262 nan 8.380 nan 0.000 0.485 67 Y N 1.820 122.080 120.300 -0.067 0.000 2.350 67 Y HA 0.568 5.118 4.550 -0.000 0.000 0.338 67 Y C 0.496 176.310 175.900 -0.144 0.000 0.961 67 Y CA -0.601 57.427 58.100 -0.120 0.000 1.100 67 Y CB 1.755 40.098 38.460 -0.196 0.000 1.179 67 Y HN 0.276 nan 8.280 nan 0.000 0.454 68 R N 2.167 122.672 120.500 0.009 0.000 2.795 68 R HA 0.589 4.929 4.340 -0.000 0.000 0.268 68 R C -1.519 174.763 176.300 -0.030 0.000 1.041 68 R CA -1.148 54.912 56.100 -0.067 0.000 0.927 68 R CB 2.201 32.414 30.300 -0.145 0.000 1.235 68 R HN 0.641 nan 8.270 nan 0.000 0.463 69 I N 0.321 120.839 120.570 -0.086 0.000 7.265 69 I HA -0.128 4.042 4.170 -0.000 0.000 0.126 69 I C -2.495 173.703 176.117 0.135 0.000 1.836 69 I CA -0.382 60.922 61.300 0.007 0.000 2.040 69 I CB -1.658 36.345 38.000 0.004 0.000 3.621 69 I HN 0.469 nan 8.210 nan 0.000 0.170 70 P HA 0.556 nan 4.420 nan 0.000 0.278 70 P C -0.397 177.019 177.300 0.193 0.000 1.238 70 P CA -0.038 63.172 63.100 0.185 0.000 0.794 70 P CB 2.053 33.847 31.700 0.158 0.000 0.955 71 A N 2.499 125.448 122.820 0.215 0.000 2.549 71 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 71 A C -1.781 176.043 177.584 0.400 0.000 1.061 71 A CA -0.649 51.531 52.037 0.237 0.000 0.690 71 A CB 1.301 20.341 19.000 0.067 0.000 1.287 71 A HN 0.526 nan 8.150 nan 0.000 0.402 72 L N 0.697 122.214 121.223 0.489 0.000 2.705 72 L HA 0.747 5.087 4.340 -0.000 0.000 0.260 72 L C -0.592 176.412 176.870 0.222 0.000 0.921 72 L CA 0.477 55.527 54.840 0.350 0.000 0.948 72 L CB 2.149 44.374 42.059 0.277 0.000 1.427 72 L HN 1.036 nan 8.230 nan 0.000 0.432 73 T N 2.569 117.103 114.554 -0.034 0.000 2.816 73 T HA 0.770 5.120 4.350 -0.000 0.000 0.299 73 T C -1.777 172.857 174.700 -0.110 0.000 1.230 73 T CA -0.356 61.693 62.100 -0.085 0.000 1.007 73 T CB 1.639 70.419 68.868 -0.148 0.000 1.289 73 T HN 0.334 nan 8.240 nan 0.000 0.508 74 V N 3.038 122.913 119.914 -0.064 0.000 2.459 74 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 74 V C 0.843 176.893 176.094 -0.073 0.000 1.029 74 V CA -0.626 61.633 62.300 -0.068 0.000 0.874 74 V CB 1.693 33.489 31.823 -0.044 0.000 0.985 74 V HN 1.127 nan 8.190 nan 0.000 0.438 75 T N 2.582 117.082 114.554 -0.090 0.000 2.847 75 T HA 0.336 4.686 4.350 -0.000 0.000 0.279 75 T C -1.785 172.879 174.700 -0.061 0.000 0.984 75 T CA -1.739 60.313 62.100 -0.080 0.000 0.988 75 T CB 1.268 70.079 68.868 -0.095 0.000 1.040 75 T HN 0.448 nan 8.240 nan 0.000 0.528 76 P HA 0.027 nan 4.420 nan 0.000 0.226 76 P C 0.516 177.783 177.300 -0.055 0.000 1.146 76 P CA 0.733 63.804 63.100 -0.047 0.000 0.773 76 P CB -0.033 31.639 31.700 -0.047 0.000 0.772 77 D N -1.544 118.816 120.400 -0.067 0.000 2.224 77 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 77 D C 1.652 177.907 176.300 -0.075 0.000 0.965 77 D CA 1.597 55.554 54.000 -0.071 0.000 0.852 77 D CB -0.433 40.318 40.800 -0.081 0.000 0.947 77 D HN 0.132 nan 8.370 nan 0.000 0.494 78 G N 0.159 108.911 108.800 -0.080 0.000 2.163 78 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.213 78 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.213 78 G C -0.511 174.317 174.900 -0.121 0.000 0.991 78 G CA -0.183 44.862 45.100 -0.091 0.000 0.653 78 G HN 0.194 nan 8.290 nan 0.000 0.518 79 D N 0.617 120.942 120.400 -0.125 0.000 2.348 79 D HA 0.517 5.157 4.640 -0.000 0.000 0.253 79 D C 0.495 176.699 176.300 -0.160 0.000 1.161 79 D CA -0.075 53.831 54.000 -0.157 0.000 0.876 79 D CB 1.236 41.957 40.800 -0.131 0.000 1.160 79 D HN 0.116 nan 8.370 nan 0.000 0.459 80 L N 2.736 123.826 121.223 -0.222 0.000 2.292 80 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 80 L C -0.174 176.679 176.870 -0.029 0.000 1.065 80 L CA -0.166 54.587 54.840 -0.146 0.000 0.806 80 L CB 0.717 42.659 42.059 -0.195 0.000 1.175 80 L HN 0.193 nan 8.230 nan 0.000 0.431 81 L N 3.563 124.780 121.223 -0.010 0.000 2.325 81 L HA 0.761 5.101 4.340 -0.000 0.000 0.281 81 L C -0.149 176.810 176.870 0.147 0.000 1.004 81 L CA -0.688 54.164 54.840 0.021 0.000 0.823 81 L CB 1.662 43.560 42.059 -0.268 0.000 1.236 81 L HN 0.689 nan 8.230 nan 0.000 0.415 82 A N 2.502 125.511 122.820 0.316 0.000 2.273 82 A HA 0.669 4.989 4.320 -0.000 0.000 0.315 82 A C -0.316 177.411 177.584 0.238 0.000 1.256 82 A CA -0.320 51.894 52.037 0.294 0.000 0.851 82 A CB 1.440 20.468 19.000 0.046 0.000 1.172 82 A HN 0.577 nan 8.150 nan 0.000 0.508 83 S N 1.502 117.371 115.700 0.282 0.000 2.578 83 S HA 0.943 5.413 4.470 -0.000 0.000 0.301 83 S C -1.125 173.409 174.600 -0.111 0.000 1.091 83 S CA -0.366 57.735 58.200 -0.165 0.000 1.032 83 S CB 0.781 63.752 63.200 -0.383 0.000 1.064 83 S HN 1.282 nan 8.310 nan 0.000 0.508 84 Y N -0.784 119.459 120.300 -0.096 0.000 2.717 84 Y HA 0.405 4.955 4.550 0.000 0.000 0.345 84 Y C -1.584 174.242 175.900 -0.123 0.000 1.187 84 Y CA -1.490 56.564 58.100 -0.078 0.000 1.128 84 Y CB -0.254 38.182 38.460 -0.040 0.000 1.360 84 Y HN 0.357 nan 8.280 nan 0.000 0.467 85 D N 1.284 121.742 120.400 0.095 0.000 2.383 85 D HA 0.437 5.077 4.640 -0.000 0.000 0.252 85 D C 0.144 176.356 176.300 -0.146 0.000 1.166 85 D CA 0.698 54.658 54.000 -0.067 0.000 0.879 85 D CB 1.390 42.144 40.800 -0.076 0.000 1.164 85 D HN 0.971 nan 8.370 nan 0.000 0.462 86 G N 2.538 111.040 108.800 -0.497 0.000 2.356 86 G HA2 0.393 4.353 3.960 -0.000 0.000 0.312 86 G HA3 0.393 4.353 3.960 -0.000 0.000 0.312 86 G C -0.102 174.271 174.900 -0.877 0.000 1.096 86 G CA -0.713 43.623 45.100 -1.273 0.000 0.950 86 G HN 0.263 nan 8.290 nan 0.000 0.428 87 R N 3.631 123.878 120.500 -0.422 0.000 2.312 87 R HA 0.243 4.583 4.340 -0.000 0.000 0.310 87 R C -1.817 174.557 176.300 0.124 0.000 1.064 87 R CA -1.635 54.413 56.100 -0.086 0.000 0.983 87 R CB 2.305 32.538 30.300 -0.113 0.000 1.139 87 R HN 0.318 nan 8.270 nan 0.000 0.536 88 P HA -0.151 nan 4.420 nan 0.000 0.216 88 P C 0.943 178.267 177.300 0.041 0.000 1.150 88 P CA 1.376 64.562 63.100 0.143 0.000 0.837 88 P CB 0.358 32.123 31.700 0.108 0.000 0.786 89 T N -6.167 108.401 114.554 0.025 0.000 3.129 89 T HA 0.455 4.805 4.350 -0.000 0.000 0.267 89 T C 1.270 175.961 174.700 -0.014 0.000 1.018 89 T CA 0.154 62.254 62.100 -0.001 0.000 0.903 89 T CB -0.690 68.177 68.868 -0.003 0.000 1.067 89 T HN 0.224 nan 8.240 nan 0.000 0.549 90 G N 2.320 111.108 108.800 -0.020 0.000 2.179 90 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 90 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 90 G C 0.044 174.916 174.900 -0.046 0.000 1.010 90 G CA 0.572 45.650 45.100 -0.038 0.000 0.736 90 G HN 1.138 nan 8.290 nan 0.000 0.513 91 I N -2.841 117.701 120.570 -0.046 0.000 2.934 91 I HA 0.684 4.854 4.170 -0.000 0.000 0.306 91 I C 0.175 176.254 176.117 -0.063 0.000 1.110 91 I CA -1.180 60.089 61.300 -0.052 0.000 1.019 91 I CB 1.914 39.889 38.000 -0.040 0.000 1.227 91 I HN 0.066 nan 8.210 nan 0.000 0.434 92 D N 3.471 123.825 120.400 -0.077 0.000 2.346 92 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 92 D C 0.375 176.631 176.300 -0.073 0.000 1.308 92 D CA -0.260 53.687 54.000 -0.089 0.000 0.987 92 D CB 0.710 41.437 40.800 -0.123 0.000 1.114 92 D HN 0.848 nan 8.370 nan 0.000 0.529 93 A N 0.307 123.080 122.820 -0.078 0.000 2.584 93 A HA 0.184 4.504 4.320 -0.000 0.000 0.239 93 A C -1.648 175.902 177.584 -0.057 0.000 1.043 93 A CA -0.481 51.517 52.037 -0.064 0.000 0.756 93 A CB -0.438 18.524 19.000 -0.063 0.000 0.963 93 A HN 0.582 nan 8.150 nan 0.000 0.511 94 P HA 0.190 nan 4.420 nan 0.000 0.221 94 P C 0.406 177.680 177.300 -0.043 0.000 1.854 94 P CA 0.152 63.218 63.100 -0.057 0.000 0.985 94 P CB 0.029 31.692 31.700 -0.061 0.000 1.711 95 G N 2.617 111.395 108.800 -0.036 0.000 2.441 95 G HA2 0.191 4.151 3.960 -0.000 0.000 0.243 95 G HA3 0.191 4.151 3.960 -0.000 0.000 0.243 95 G C -1.975 172.919 174.900 -0.010 0.000 1.281 95 G CA -1.151 43.937 45.100 -0.020 0.000 0.854 95 G HN 0.106 nan 8.290 nan 0.000 0.560 96 P HA 0.012 nan 4.420 nan 0.000 0.237 96 P C -0.377 176.976 177.300 0.088 0.000 1.701 96 P CA -0.324 62.800 63.100 0.039 0.000 0.955 96 P CB -0.208 31.523 31.700 0.051 0.000 1.937 97 N N 0.312 119.048 118.700 0.060 0.000 2.503 97 N HA 0.166 4.906 4.740 -0.000 0.000 0.267 97 N C 0.318 175.889 175.510 0.101 0.000 1.214 97 N CA 0.123 53.200 53.050 0.047 0.000 0.959 97 N CB 0.428 38.904 38.487 -0.018 0.000 1.142 97 N HN 0.085 nan 8.380 nan 0.000 0.455 98 S N 0.692 116.363 115.700 -0.049 0.000 2.593 98 S HA 0.513 4.983 4.470 -0.000 0.000 0.297 98 S C 0.038 174.491 174.600 -0.246 0.000 1.112 98 S CA -0.766 57.378 58.200 -0.093 0.000 1.043 98 S CB 1.114 64.277 63.200 -0.061 0.000 1.054 98 S HN 0.270 nan 8.310 nan 0.000 0.516 99 I N 3.255 123.636 120.570 -0.316 0.000 2.304 99 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 99 I C -0.069 175.785 176.117 -0.439 0.000 1.018 99 I CA -0.069 60.963 61.300 -0.448 0.000 1.260 99 I CB -0.180 37.380 38.000 -0.734 0.000 1.390 99 I HN 0.454 nan 8.210 nan 0.000 0.475 100 L N 5.393 126.331 121.223 -0.474 0.000 2.299 100 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 100 L C -0.212 176.282 176.870 -0.627 0.000 1.012 100 L CA -0.788 53.757 54.840 -0.491 0.000 0.816 100 L CB 1.967 43.778 42.059 -0.413 0.000 1.355 100 L HN 0.532 nan 8.230 nan 0.000 0.457 101 Q N 0.576 120.095 119.800 -0.467 0.000 2.503 101 Q HA 0.445 4.785 4.340 -0.000 0.000 0.268 101 Q C -1.909 174.060 176.000 -0.051 0.000 0.982 101 Q CA -0.713 54.946 55.803 -0.241 0.000 0.907 101 Q CB 2.784 31.491 28.738 -0.052 0.000 1.467 101 Q HN 0.635 nan 8.270 nan 0.000 0.394 102 R N 1.477 122.030 120.500 0.088 0.000 2.808 102 R HA 0.624 4.964 4.340 -0.000 0.000 0.272 102 R C -1.138 175.388 176.300 0.375 0.000 0.995 102 R CA -0.946 55.294 56.100 0.233 0.000 0.917 102 R CB 2.510 32.965 30.300 0.257 0.000 1.217 102 R HN 0.540 nan 8.270 nan 0.000 0.471 103 R N 0.535 121.226 120.500 0.317 0.000 2.513 103 R HA 0.289 4.629 4.340 -0.000 0.000 0.301 103 R C -1.278 174.904 176.300 -0.197 0.000 0.968 103 R CA -0.237 55.926 56.100 0.104 0.000 0.872 103 R CB 2.032 32.349 30.300 0.029 0.000 1.177 103 R HN 0.517 nan 8.270 nan 0.000 0.444 104 S N 2.020 117.317 115.700 -0.672 0.000 2.474 104 S HA 0.094 4.564 4.470 -0.000 0.000 0.320 104 S C 0.861 175.147 174.600 -0.522 0.000 1.067 104 S CA -0.554 57.069 58.200 -0.962 0.000 1.127 104 S CB 0.831 62.908 63.200 -1.871 0.000 0.971 104 S HN 0.706 nan 8.310 nan 0.000 0.472 105 T N 0.366 114.712 114.554 -0.346 0.000 3.169 105 T HA 0.077 4.427 4.350 -0.000 0.000 0.250 105 T C 0.412 174.983 174.700 -0.215 0.000 1.111 105 T CA 0.213 62.174 62.100 -0.231 0.000 1.010 105 T CB -0.239 68.536 68.868 -0.155 0.000 0.984 105 T HN 0.623 nan 8.240 nan 0.000 0.537 106 D N 0.134 120.372 120.400 -0.271 0.000 2.696 106 D HA 0.277 4.917 4.640 -0.000 0.000 0.269 106 D C 1.209 177.375 176.300 -0.223 0.000 1.319 106 D CA -0.357 53.518 54.000 -0.209 0.000 0.826 106 D CB -0.407 40.293 40.800 -0.166 0.000 1.086 106 D HN 0.365 nan 8.370 nan 0.000 0.481 107 G N -0.242 108.398 108.800 -0.267 0.000 2.176 107 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.252 107 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.252 107 G C 1.093 175.870 174.900 -0.206 0.000 1.024 107 G CA 0.352 45.322 45.100 -0.216 0.000 0.755 107 G HN 1.475 nan 8.290 nan 0.000 0.507 108 G N -1.905 106.651 108.800 -0.406 0.000 2.179 108 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 108 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 108 G C 1.002 175.858 174.900 -0.073 0.000 0.990 108 G CA 0.720 45.636 45.100 -0.308 0.000 0.646 108 G HN 0.824 nan 8.290 nan 0.000 0.517 109 R N 0.758 121.155 120.500 -0.172 0.000 2.066 109 R HA 0.258 4.598 4.340 -0.000 0.000 0.224 109 R C 1.768 178.045 176.300 -0.039 0.000 1.122 109 R CA 1.980 58.054 56.100 -0.043 0.000 0.974 109 R CB -0.360 29.908 30.300 -0.053 0.000 0.871 109 R HN 0.683 nan 8.270 nan 0.000 0.435 110 T N -3.140 111.270 114.554 -0.240 0.000 2.924 110 T HA 0.633 4.983 4.350 -0.000 0.000 0.291 110 T C -1.093 173.369 174.700 -0.396 0.000 1.045 110 T CA -0.840 61.177 62.100 -0.139 0.000 1.015 110 T CB 1.744 70.556 68.868 -0.093 0.000 1.103 110 T HN 0.130 nan 8.240 nan 0.000 0.496 111 W N -0.056 121.205 121.300 -0.065 0.000 3.097 111 W HA 0.642 5.302 4.660 -0.000 0.000 0.335 111 W C 0.506 177.004 176.519 -0.035 0.000 1.114 111 W CA -0.793 56.512 57.345 -0.066 0.000 1.231 111 W CB 1.849 31.261 29.460 -0.080 0.000 1.388 111 W HN 1.186 nan 8.180 nan 0.000 0.485 112 G N 0.924 109.831 108.800 0.178 0.000 2.570 112 G HA2 0.340 4.300 3.960 -0.000 0.000 0.276 112 G HA3 0.340 4.300 3.960 -0.000 0.000 0.276 112 G C -0.002 174.974 174.900 0.126 0.000 1.346 112 G CA -0.694 44.472 45.100 0.109 0.000 1.034 112 G HN 0.583 nan 8.290 nan 0.000 0.512 113 E N -0.934 119.319 120.200 0.088 0.000 2.459 113 E HA -0.038 4.312 4.350 -0.000 0.000 0.264 113 E C 0.018 176.676 176.600 0.097 0.000 1.055 113 E CA -0.096 56.355 56.400 0.084 0.000 0.957 113 E CB 0.524 30.263 29.700 0.065 0.000 0.952 113 E HN 0.429 nan 8.360 nan 0.000 0.448 114 Q N 2.085 121.944 119.800 0.099 0.000 2.381 114 Q HA 0.006 4.346 4.340 -0.000 0.000 0.243 114 Q C -0.691 175.356 176.000 0.079 0.000 1.154 114 Q CA -0.041 55.824 55.803 0.104 0.000 0.899 114 Q CB 0.498 29.330 28.738 0.156 0.000 1.396 114 Q HN 0.446 nan 8.270 nan 0.000 0.485 115 Q N 1.472 121.298 119.800 0.043 0.000 2.221 115 Q HA 0.433 4.773 4.340 -0.000 0.000 0.242 115 Q C -0.862 175.122 176.000 -0.027 0.000 0.940 115 Q CA -0.814 55.008 55.803 0.031 0.000 0.896 115 Q CB 1.984 30.755 28.738 0.055 0.000 1.226 115 Q HN 0.416 nan 8.270 nan 0.000 0.463 116 V N 2.240 122.139 119.914 -0.025 0.000 2.383 116 V HA 0.070 4.190 4.120 -0.000 0.000 0.275 116 V C 0.758 176.759 176.094 -0.155 0.000 1.036 116 V CA -0.141 62.105 62.300 -0.089 0.000 0.889 116 V CB 1.173 32.973 31.823 -0.038 0.000 0.985 116 V HN 0.718 nan 8.190 nan 0.000 0.459 117 V N 3.293 123.008 119.914 -0.331 0.000 2.374 117 V HA 0.043 4.163 4.120 -0.000 0.000 0.241 117 V C 0.886 176.755 176.094 -0.375 0.000 1.034 117 V CA 1.197 63.151 62.300 -0.577 0.000 1.037 117 V CB 0.340 31.544 31.823 -1.033 0.000 0.682 117 V HN 0.817 nan 8.190 nan 0.000 0.463 118 S N 0.309 115.738 115.700 -0.451 0.000 2.659 118 S HA 0.749 5.219 4.470 -0.000 0.000 0.312 118 S C -0.314 174.011 174.600 -0.459 0.000 1.114 118 S CA -0.380 57.495 58.200 -0.542 0.000 1.063 118 S CB 1.543 64.243 63.200 -0.834 0.000 0.996 118 S HN 0.472 nan 8.310 nan 0.000 0.478 119 A N 2.747 125.343 122.820 -0.375 0.000 2.276 119 A HA 0.723 5.043 4.320 -0.000 0.000 0.300 119 A C 0.722 178.347 177.584 0.068 0.000 1.235 119 A CA -0.526 51.441 52.037 -0.116 0.000 0.867 119 A CB 0.044 19.001 19.000 -0.072 0.000 1.137 119 A HN 0.865 nan 8.150 nan 0.000 0.527 120 G N 1.031 109.978 108.800 0.245 0.000 2.483 120 G HA2 0.418 4.378 3.960 -0.000 0.000 0.248 120 G HA3 0.418 4.378 3.960 -0.000 0.000 0.248 120 G C -0.045 174.990 174.900 0.225 0.000 1.248 120 G CA -0.279 45.045 45.100 0.374 0.000 0.838 120 G HN 0.808 nan 8.290 nan 0.000 0.566 121 Q N 0.276 120.195 119.800 0.199 0.000 2.398 121 Q HA 0.253 4.593 4.340 -0.000 0.000 0.251 121 Q C 1.090 177.138 176.000 0.080 0.000 0.999 121 Q CA -0.320 55.555 55.803 0.120 0.000 0.874 121 Q CB 0.918 29.725 28.738 0.115 0.000 1.215 121 Q HN 0.617 nan 8.270 nan 0.000 0.470 122 T N 0.667 115.259 114.554 0.062 0.000 3.081 122 T HA 0.036 4.386 4.350 -0.000 0.000 0.255 122 T C 0.488 175.203 174.700 0.025 0.000 1.113 122 T CA 0.617 62.741 62.100 0.040 0.000 1.082 122 T CB 0.104 68.993 68.868 0.034 0.000 0.939 122 T HN 0.630 nan 8.240 nan 0.000 0.506 123 T N 1.163 115.732 114.554 0.026 0.000 2.882 123 T HA 0.769 5.119 4.350 -0.000 0.000 0.287 123 T C 0.179 174.894 174.700 0.024 0.000 0.992 123 T CA -0.680 61.431 62.100 0.019 0.000 1.076 123 T CB 1.460 70.337 68.868 0.016 0.000 0.961 123 T HN 0.330 nan 8.240 nan 0.000 0.490 124 A N 3.583 126.414 122.820 0.018 0.000 2.388 124 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 124 A C -1.859 175.739 177.584 0.024 0.000 1.095 124 A CA -1.385 50.664 52.037 0.019 0.000 0.791 124 A CB -0.976 18.031 19.000 0.012 0.000 1.029 124 A HN 0.763 nan 8.150 nan 0.000 0.489 125 P HA 0.214 nan 4.420 nan 0.000 0.262 125 P C -0.441 176.885 177.300 0.042 0.000 1.199 125 P CA 0.041 63.161 63.100 0.033 0.000 0.763 125 P CB 0.016 31.743 31.700 0.044 0.000 0.790 126 I N 3.422 124.009 120.570 0.029 0.000 2.836 126 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 126 I C 0.972 177.111 176.117 0.037 0.000 1.174 126 I CA 0.755 62.073 61.300 0.029 0.000 1.405 126 I CB 0.302 38.308 38.000 0.010 0.000 1.385 126 I HN 0.224 nan 8.210 nan 0.000 0.594 127 K N 3.604 124.030 120.400 0.043 0.000 2.507 127 K HA 0.592 4.912 4.320 -0.000 0.000 0.251 127 K C -0.599 175.916 176.600 -0.142 0.000 0.943 127 K CA -0.663 55.630 56.287 0.010 0.000 0.794 127 K CB 1.986 34.564 32.500 0.130 0.000 1.188 127 K HN 0.752 nan 8.250 nan 0.000 0.428 128 G N 2.390 111.023 108.800 -0.278 0.000 2.416 128 G HA2 0.664 4.624 3.960 -0.000 0.000 0.324 128 G HA3 0.664 4.624 3.960 -0.000 0.000 0.324 128 G C -1.167 173.473 174.900 -0.434 0.000 1.194 128 G CA -0.414 44.543 45.100 -0.238 0.000 0.922 128 G HN 0.352 nan 8.290 nan 0.000 0.467 129 F N 2.103 122.114 119.950 0.102 0.000 2.496 129 F HA 0.610 5.137 4.527 -0.000 0.000 0.341 129 F C 0.541 176.337 175.800 -0.006 0.000 1.134 129 F CA -0.719 57.340 58.000 0.098 0.000 0.968 129 F CB 2.326 41.323 39.000 -0.005 0.000 1.205 129 F HN 0.604 nan 8.300 nan 0.000 0.436 130 S N 0.745 116.561 115.700 0.194 0.000 2.638 130 S HA 0.679 5.149 4.470 -0.000 0.000 0.274 130 S C -1.549 173.128 174.600 0.127 0.000 1.157 130 S CA -1.036 57.215 58.200 0.084 0.000 0.826 130 S CB 2.063 65.272 63.200 0.014 0.000 1.139 130 S HN 0.494 nan 8.310 nan 0.000 0.474 131 D N 1.061 121.507 120.400 0.077 0.000 3.515 131 D HA -0.037 4.603 4.640 -0.000 0.000 0.247 131 D C -2.731 173.637 176.300 0.114 0.000 1.084 131 D CA 0.648 54.720 54.000 0.119 0.000 1.030 131 D CB -0.818 40.099 40.800 0.195 0.000 0.946 131 D HN 0.494 nan 8.370 nan 0.000 0.420 132 P HA 0.392 nan 4.420 nan 0.000 0.282 132 P C -0.633 176.656 177.300 -0.019 0.000 1.249 132 P CA -0.388 62.705 63.100 -0.011 0.000 0.806 132 P CB 1.876 33.494 31.700 -0.138 0.000 0.984 133 S N 2.121 117.798 115.700 -0.039 0.000 2.689 133 S HA 0.420 4.890 4.470 -0.000 0.000 0.274 133 S C -1.122 173.516 174.600 0.064 0.000 1.176 133 S CA -0.581 57.624 58.200 0.009 0.000 1.014 133 S CB 0.015 63.210 63.200 -0.008 0.000 1.071 133 S HN 0.211 nan 8.310 nan 0.000 0.478 134 Y N 3.120 123.540 120.300 0.201 0.000 2.357 134 Y HA 0.557 5.107 4.550 -0.000 0.000 0.340 134 Y C 0.423 176.502 175.900 0.297 0.000 1.260 134 Y CA -0.220 58.035 58.100 0.259 0.000 1.425 134 Y CB 0.727 39.316 38.460 0.215 0.000 1.326 134 Y HN 0.633 nan 8.280 nan 0.000 0.580 135 L N 2.114 123.692 121.223 0.591 0.000 2.639 135 L HA 0.403 4.743 4.340 -0.000 0.000 0.264 135 L C -1.804 175.383 176.870 0.529 0.000 0.948 135 L CA -0.606 54.542 54.840 0.514 0.000 0.912 135 L CB 1.247 43.650 42.059 0.573 0.000 1.294 135 L HN 0.347 nan 8.230 nan 0.000 0.412 136 V N 2.618 122.746 119.914 0.357 0.000 2.439 136 V HA 0.294 4.414 4.120 -0.000 0.000 0.282 136 V C -0.204 176.059 176.094 0.281 0.000 1.039 136 V CA -0.466 61.988 62.300 0.258 0.000 0.913 136 V CB 1.564 33.464 31.823 0.129 0.000 0.983 136 V HN 0.590 nan 8.190 nan 0.000 0.460 137 D N 4.216 124.783 120.400 0.280 0.000 2.411 137 D HA 0.229 4.869 4.640 -0.000 0.000 0.225 137 D C 1.088 177.448 176.300 0.100 0.000 1.156 137 D CA -0.356 53.784 54.000 0.235 0.000 0.874 137 D CB 0.815 41.803 40.800 0.314 0.000 1.034 137 D HN 0.458 nan 8.370 nan 0.000 0.502 138 R N 2.437 122.986 120.500 0.082 0.000 2.299 138 R HA 0.046 4.386 4.340 -0.000 0.000 0.197 138 R C 1.220 177.523 176.300 0.006 0.000 0.971 138 R CA 0.296 56.418 56.100 0.036 0.000 1.030 138 R CB 0.655 30.979 30.300 0.041 0.000 0.932 138 R HN 0.509 nan 8.270 nan 0.000 0.477 139 E N 0.470 120.668 120.200 -0.002 0.000 2.051 139 E HA -0.095 4.255 4.350 -0.000 0.000 0.189 139 E C 1.815 178.341 176.600 -0.123 0.000 0.979 139 E CA 1.791 58.158 56.400 -0.054 0.000 0.803 139 E CB 0.122 29.790 29.700 -0.052 0.000 0.761 139 E HN 0.336 nan 8.360 nan 0.000 0.451 140 T N -3.057 111.395 114.554 -0.170 0.000 3.044 140 T HA 0.204 4.554 4.350 -0.000 0.000 0.255 140 T C 1.599 176.242 174.700 -0.096 0.000 1.073 140 T CA 0.616 62.620 62.100 -0.160 0.000 1.125 140 T CB 0.552 69.306 68.868 -0.191 0.000 0.908 140 T HN 0.303 nan 8.240 nan 0.000 0.480 141 G N 1.418 110.180 108.800 -0.063 0.000 2.143 141 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.249 141 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.249 141 G C 0.141 174.987 174.900 -0.091 0.000 0.981 141 G CA 0.188 45.252 45.100 -0.060 0.000 0.665 141 G HN 0.783 nan 8.290 nan 0.000 0.528 142 T N 1.484 115.975 114.554 -0.104 0.000 2.899 142 T HA 0.605 4.955 4.350 -0.000 0.000 0.295 142 T C 0.607 175.147 174.700 -0.266 0.000 1.033 142 T CA -0.030 61.930 62.100 -0.233 0.000 1.084 142 T CB 1.687 70.379 68.868 -0.294 0.000 0.979 142 T HN 0.265 nan 8.240 nan 0.000 0.532 143 I N 2.154 122.475 120.570 -0.415 0.000 2.433 143 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 143 I C -0.795 175.099 176.117 -0.371 0.000 1.001 143 I CA -0.703 60.453 61.300 -0.239 0.000 1.119 143 I CB 1.148 39.050 38.000 -0.163 0.000 1.289 143 I HN 0.525 nan 8.210 nan 0.000 0.438 144 F N 4.113 124.235 119.950 0.286 0.000 2.522 144 F HA 0.449 4.975 4.527 -0.000 0.000 0.324 144 F C 0.528 176.532 175.800 0.341 0.000 1.077 144 F CA -0.706 57.439 58.000 0.242 0.000 0.944 144 F CB 1.513 40.579 39.000 0.111 0.000 1.175 144 F HN 0.405 nan 8.300 nan 0.000 0.468 145 N N 2.993 121.900 118.700 0.345 0.000 2.577 145 N HA 0.264 5.004 4.740 -0.000 0.000 0.275 145 N C -1.703 173.795 175.510 -0.021 0.000 1.091 145 N CA -0.280 52.816 53.050 0.077 0.000 0.843 145 N CB 0.500 38.835 38.487 -0.253 0.000 1.295 145 N HN 0.367 nan 8.380 nan 0.000 0.530 146 F N 3.787 123.709 119.950 -0.046 0.000 2.389 146 F HA 0.400 4.927 4.527 -0.000 0.000 0.337 146 F C 1.192 176.936 175.800 -0.093 0.000 1.112 146 F CA 0.277 58.177 58.000 -0.166 0.000 1.192 146 F CB 0.810 39.690 39.000 -0.201 0.000 1.185 146 F HN 0.452 nan 8.300 nan 0.000 0.552 147 H N -0.466 118.698 119.070 0.158 0.000 2.967 147 H HA 0.483 5.039 4.556 -0.000 0.000 0.318 147 H C -1.425 174.039 175.328 0.227 0.000 1.375 147 H CA -1.313 54.817 56.048 0.137 0.000 1.132 147 H CB 0.466 30.276 29.762 0.080 0.000 1.848 147 H HN 0.520 nan 8.280 nan 0.000 0.524 148 V N -0.247 119.872 119.914 0.342 0.000 2.732 148 V HA 0.339 4.459 4.120 -0.000 0.000 0.297 148 V C -0.667 175.669 176.094 0.404 0.000 1.060 148 V CA -0.544 61.938 62.300 0.303 0.000 1.038 148 V CB 0.798 32.746 31.823 0.208 0.000 1.003 148 V HN 0.705 nan 8.190 nan 0.000 0.481 149 Y N 4.910 125.322 120.300 0.186 0.000 2.356 149 Y HA 0.704 5.254 4.550 -0.000 0.000 0.334 149 Y C 0.086 175.969 175.900 -0.027 0.000 0.958 149 Y CA -0.864 57.241 58.100 0.009 0.000 1.196 149 Y CB 0.922 39.485 38.460 0.171 0.000 1.137 149 Y HN 1.079 nan 8.280 nan 0.000 0.485 150 S N 4.605 120.170 115.700 -0.225 0.000 2.578 150 S HA 0.600 5.070 4.470 -0.000 0.000 0.301 150 S C -0.221 174.164 174.600 -0.359 0.000 1.091 150 S CA -0.558 57.480 58.200 -0.271 0.000 1.032 150 S CB 2.726 65.848 63.200 -0.131 0.000 1.064 150 S HN 0.835 nan 8.310 nan 0.000 0.508 151 Q N 0.813 120.439 119.800 -0.291 0.000 2.497 151 Q HA 0.361 4.701 4.340 -0.000 0.000 0.180 151 Q C 1.862 177.797 176.000 -0.109 0.000 0.778 151 Q CA -0.367 55.314 55.803 -0.202 0.000 0.803 151 Q CB 0.183 28.793 28.738 -0.214 0.000 1.129 151 Q HN 0.713 nan 8.270 nan 0.000 0.597 152 R N -0.218 120.226 120.500 -0.093 0.000 2.206 152 R HA 0.157 4.497 4.340 -0.000 0.000 0.198 152 R C 0.067 176.329 176.300 -0.063 0.000 0.986 152 R CA 0.387 56.450 56.100 -0.062 0.000 1.029 152 R CB 0.691 30.962 30.300 -0.048 0.000 0.966 152 R HN 0.206 nan 8.270 nan 0.000 0.487 153 Q N -0.008 119.744 119.800 -0.079 0.000 2.337 153 Q HA 0.356 4.696 4.340 -0.000 0.000 0.266 153 Q C 0.003 175.963 176.000 -0.067 0.000 1.023 153 Q CA -0.353 55.407 55.803 -0.070 0.000 0.829 153 Q CB 2.061 30.753 28.738 -0.076 0.000 1.306 153 Q HN 0.159 nan 8.270 nan 0.000 0.449 154 G N 0.419 109.191 108.800 -0.047 0.000 2.516 154 G HA2 0.113 4.073 3.960 -0.000 0.000 0.276 154 G HA3 0.113 4.073 3.960 -0.000 0.000 0.276 154 G C 0.276 175.180 174.900 0.005 0.000 1.390 154 G CA -0.296 44.789 45.100 -0.025 0.000 1.050 154 G HN 0.565 nan 8.290 nan 0.000 0.519 155 F N 1.054 120.910 119.950 -0.156 0.000 2.171 155 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 155 F C 2.664 178.394 175.800 -0.116 0.000 1.090 155 F CA 1.622 59.517 58.000 -0.175 0.000 1.293 155 F CB -0.345 38.462 39.000 -0.320 0.000 1.013 155 F HN 0.320 nan 8.300 nan 0.000 0.486 156 A N -0.087 122.679 122.820 -0.090 0.000 1.841 156 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 156 A C 2.254 179.766 177.584 -0.120 0.000 1.195 156 A CA 1.483 53.457 52.037 -0.105 0.000 0.611 156 A CB -1.619 17.382 19.000 0.002 0.000 0.835 156 A HN 0.419 nan 8.150 nan 0.000 0.443 157 G N -0.483 108.267 108.800 -0.083 0.000 3.383 157 G HA2 0.321 4.281 3.960 -0.000 0.000 0.251 157 G HA3 0.321 4.281 3.960 -0.000 0.000 0.251 157 G C 0.442 175.290 174.900 -0.087 0.000 1.203 157 G CA 0.652 45.709 45.100 -0.072 0.000 0.852 157 G HN 0.470 nan 8.290 nan 0.000 0.531 158 S N 0.196 115.823 115.700 -0.123 0.000 2.516 158 S HA 0.322 4.792 4.470 -0.000 0.000 0.282 158 S C 0.617 175.157 174.600 -0.100 0.000 1.286 158 S CA -0.505 57.624 58.200 -0.118 0.000 1.066 158 S CB 0.594 63.714 63.200 -0.133 0.000 0.884 158 S HN 0.448 nan 8.310 nan 0.000 0.491 159 R N 4.456 124.907 120.500 -0.082 0.000 2.457 159 R HA 0.467 4.807 4.340 -0.000 0.000 0.284 159 R C -2.102 174.167 176.300 -0.052 0.000 1.024 159 R CA -2.085 53.980 56.100 -0.057 0.000 1.025 159 R CB 0.691 30.962 30.300 -0.048 0.000 1.063 159 R HN 0.499 nan 8.270 nan 0.000 0.493 160 P HA 0.119 nan 4.420 nan 0.000 0.270 160 P C -0.292 176.998 177.300 -0.017 0.000 1.227 160 P CA 0.188 63.281 63.100 -0.011 0.000 0.788 160 P CB 0.550 32.253 31.700 0.004 0.000 0.926 161 G N -0.406 108.391 108.800 -0.005 0.000 2.497 161 G HA2 0.132 4.092 3.960 -0.000 0.000 0.686 161 G HA3 0.132 4.092 3.960 -0.000 0.000 0.686 161 G C -0.072 174.829 174.900 0.002 0.000 1.288 161 G CA 0.007 45.108 45.100 0.002 0.000 0.899 161 G HN 0.810 nan 8.290 nan 0.000 0.608 162 T N -2.586 111.996 114.554 0.048 0.000 3.328 162 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 162 T C -0.037 174.804 174.700 0.235 0.000 0.939 162 T CA 0.849 63.019 62.100 0.117 0.000 0.950 162 T CB 0.547 69.478 68.868 0.104 0.000 1.182 162 T HN 0.759 nan 8.240 nan 0.000 0.545 163 D N 2.921 123.433 120.400 0.186 0.000 2.383 163 D HA 0.284 4.924 4.640 -0.000 0.000 0.252 163 D C -1.274 175.174 176.300 0.248 0.000 1.166 163 D CA -1.856 52.249 54.000 0.175 0.000 0.879 163 D CB 1.571 42.434 40.800 0.106 0.000 1.164 163 D HN -0.008 nan 8.370 nan 0.000 0.462 164 P HA -0.180 nan 4.420 nan 0.000 0.217 164 P C 0.711 177.999 177.300 -0.021 0.000 1.148 164 P CA 1.350 64.276 63.100 -0.290 0.000 0.828 164 P CB 0.107 31.729 31.700 -0.130 0.000 0.783 165 A N -0.941 121.924 122.820 0.075 0.000 2.119 165 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 165 A C 1.155 178.798 177.584 0.098 0.000 1.153 165 A CA 0.464 52.556 52.037 0.091 0.000 0.692 165 A CB -1.122 17.919 19.000 0.069 0.000 0.799 165 A HN 0.101 nan 8.150 nan 0.000 0.458 166 D N 0.340 120.823 120.400 0.139 0.000 2.371 166 D HA 0.149 4.789 4.640 -0.000 0.000 0.256 166 D C -1.715 174.615 176.300 0.049 0.000 1.193 166 D CA -1.918 52.136 54.000 0.090 0.000 0.881 166 D CB 1.191 42.042 40.800 0.084 0.000 1.143 166 D HN 0.125 nan 8.370 nan 0.000 0.473 167 P HA 0.059 nan 4.420 nan 0.000 0.249 167 P C 0.182 177.442 177.300 -0.067 0.000 1.229 167 P CA 0.256 63.333 63.100 -0.039 0.000 0.788 167 P CB 0.475 32.163 31.700 -0.020 0.000 1.072 168 N N -0.663 118.000 118.700 -0.061 0.000 2.205 168 N HA 0.089 4.829 4.740 -0.000 0.000 0.201 168 N C -0.034 175.412 175.510 -0.107 0.000 1.128 168 N CA 0.068 53.074 53.050 -0.073 0.000 0.867 168 N CB 1.177 39.634 38.487 -0.049 0.000 0.996 168 N HN 0.020 nan 8.380 nan 0.000 0.503 169 V N 2.014 121.837 119.914 -0.152 0.000 2.509 169 V HA 0.199 4.319 4.120 -0.000 0.000 0.284 169 V C 0.144 176.049 176.094 -0.314 0.000 1.047 169 V CA -0.778 61.363 62.300 -0.266 0.000 0.952 169 V CB 1.911 33.485 31.823 -0.416 0.000 0.988 169 V HN 0.056 nan 8.190 nan 0.000 0.469 170 L N 6.131 127.216 121.223 -0.231 0.000 2.295 170 L HA 0.356 4.696 4.340 -0.000 0.000 0.288 170 L C 0.254 177.040 176.870 -0.140 0.000 1.079 170 L CA 0.416 55.170 54.840 -0.144 0.000 0.830 170 L CB -0.182 41.873 42.059 -0.007 0.000 1.200 170 L HN 0.597 nan 8.230 nan 0.000 0.438 171 H N 3.634 122.692 119.070 -0.021 0.000 2.551 171 H HA 0.420 4.976 4.556 -0.000 0.000 0.358 171 H C -0.273 175.164 175.328 0.181 0.000 1.151 171 H CA 0.024 56.123 56.048 0.085 0.000 1.374 171 H CB 1.478 31.311 29.762 0.117 0.000 1.473 171 H HN 0.724 nan 8.280 nan 0.000 0.574 172 A N 3.508 126.534 122.820 0.343 0.000 2.260 172 A HA 0.260 4.580 4.320 -0.000 0.000 0.312 172 A C 0.077 177.814 177.584 0.256 0.000 1.321 172 A CA -0.527 51.700 52.037 0.316 0.000 0.928 172 A CB -0.246 18.909 19.000 0.258 0.000 1.158 172 A HN 0.652 nan 8.150 nan 0.000 0.542 173 N N 0.058 118.866 118.700 0.179 0.000 2.335 173 N HA 0.637 5.377 4.740 -0.000 0.000 0.304 173 N C -1.408 173.948 175.510 -0.257 0.000 1.135 173 N CA -0.336 52.718 53.050 0.007 0.000 0.817 173 N CB 2.189 40.709 38.487 0.054 0.000 1.294 173 N HN 0.447 nan 8.380 nan 0.000 0.497 174 V N 0.789 120.507 119.914 -0.328 0.000 2.612 174 V HA 0.791 4.911 4.120 -0.000 0.000 0.301 174 V C -0.902 175.035 176.094 -0.261 0.000 1.059 174 V CA -0.632 61.352 62.300 -0.527 0.000 0.886 174 V CB 1.148 32.364 31.823 -1.011 0.000 1.007 174 V HN 0.825 nan 8.190 nan 0.000 0.426 175 A N 4.673 127.368 122.820 -0.207 0.000 2.371 175 A HA 0.773 5.093 4.320 -0.000 0.000 0.257 175 A C 0.300 178.037 177.584 0.256 0.000 1.089 175 A CA 0.010 51.985 52.037 -0.103 0.000 0.794 175 A CB 0.617 19.446 19.000 -0.285 0.000 1.029 175 A HN 0.942 nan 8.150 nan 0.000 0.488 176 T N 1.213 115.904 114.554 0.228 0.000 2.841 176 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 176 T C -0.528 173.966 174.700 -0.343 0.000 1.000 176 T CA -0.269 61.814 62.100 -0.028 0.000 0.977 176 T CB 1.284 70.133 68.868 -0.031 0.000 0.979 176 T HN 0.850 nan 8.240 nan 0.000 0.446 177 S N 1.311 116.566 115.700 -0.741 0.000 2.736 177 S HA 0.396 4.866 4.470 -0.000 0.000 0.285 177 S C 0.950 175.194 174.600 -0.594 0.000 1.163 177 S CA -0.567 57.076 58.200 -0.929 0.000 1.025 177 S CB 0.850 62.948 63.200 -1.836 0.000 1.030 177 S HN 0.808 nan 8.310 nan 0.000 0.486 178 T N 0.116 114.425 114.554 -0.408 0.000 3.107 178 T HA 0.132 4.482 4.350 -0.000 0.000 0.249 178 T C 0.430 174.986 174.700 -0.239 0.000 1.096 178 T CA 0.556 62.488 62.100 -0.281 0.000 1.012 178 T CB -0.301 68.451 68.868 -0.193 0.000 0.977 178 T HN 0.643 nan 8.240 nan 0.000 0.527 179 D N -0.008 120.224 120.400 -0.281 0.000 2.720 179 D HA 0.313 4.953 4.640 -0.000 0.000 0.285 179 D C 1.271 177.448 176.300 -0.205 0.000 1.359 179 D CA -0.223 53.651 54.000 -0.210 0.000 0.818 179 D CB -0.274 40.417 40.800 -0.182 0.000 1.108 179 D HN 0.379 nan 8.370 nan 0.000 0.474 180 G N -0.410 108.254 108.800 -0.227 0.000 2.157 180 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.239 180 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.239 180 G C 1.060 175.854 174.900 -0.177 0.000 0.982 180 G CA 0.191 45.185 45.100 -0.177 0.000 0.650 180 G HN 1.433 nan 8.290 nan 0.000 0.527 181 G N -1.435 107.167 108.800 -0.330 0.000 2.140 181 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.211 181 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.211 181 G C 0.920 175.785 174.900 -0.058 0.000 1.013 181 G CA 0.777 45.709 45.100 -0.280 0.000 0.705 181 G HN 1.177 nan 8.290 nan 0.000 0.508 182 L N 0.094 121.195 121.223 -0.202 0.000 2.276 182 L HA 0.285 4.625 4.340 -0.000 0.000 0.194 182 L C 1.988 178.850 176.870 -0.013 0.000 1.099 182 L CA 1.334 56.154 54.840 -0.034 0.000 0.800 182 L CB -0.553 41.472 42.059 -0.056 0.000 0.994 182 L HN 0.456 nan 8.230 nan 0.000 0.475 183 T N -2.537 111.911 114.554 -0.176 0.000 2.909 183 T HA 0.367 4.717 4.350 -0.000 0.000 0.286 183 T C -1.226 173.282 174.700 -0.321 0.000 1.002 183 T CA -0.400 61.640 62.100 -0.101 0.000 1.074 183 T CB 1.005 69.818 68.868 -0.092 0.000 0.984 183 T HN 0.063 nan 8.240 nan 0.000 0.495 184 W N 1.359 122.648 121.300 -0.018 0.000 2.839 184 W HA 0.539 5.199 4.660 -0.000 0.000 0.334 184 W C -0.100 176.397 176.519 -0.037 0.000 1.064 184 W CA -0.736 56.558 57.345 -0.085 0.000 1.236 184 W CB 1.984 31.349 29.460 -0.160 0.000 1.405 184 W HN 0.961 nan 8.180 nan 0.000 0.478 185 S N 1.119 116.876 115.700 0.096 0.000 2.617 185 S HA 0.692 5.162 4.470 -0.000 0.000 0.283 185 S C -1.129 173.460 174.600 -0.017 0.000 1.189 185 S CA -0.774 57.501 58.200 0.124 0.000 1.036 185 S CB 1.375 64.618 63.200 0.073 0.000 1.014 185 S HN 0.497 nan 8.310 nan 0.000 0.522 186 H N 0.562 119.677 119.070 0.075 0.000 2.667 186 H HA 0.690 5.246 4.556 -0.000 0.000 0.353 186 H C 0.043 175.389 175.328 0.029 0.000 1.072 186 H CA -0.714 55.357 56.048 0.038 0.000 1.214 186 H CB 1.482 31.231 29.762 -0.022 0.000 1.600 186 H HN 0.812 nan 8.280 nan 0.000 0.527 187 R N 0.911 121.480 120.500 0.115 0.000 2.817 187 R HA 0.745 5.085 4.340 -0.000 0.000 0.268 187 R C -1.418 174.929 176.300 0.078 0.000 1.027 187 R CA -0.989 55.168 56.100 0.094 0.000 0.928 187 R CB 1.491 31.855 30.300 0.107 0.000 1.228 187 R HN 0.440 nan 8.270 nan 0.000 0.469 188 T N 1.917 116.520 114.554 0.083 0.000 2.809 188 T HA 0.327 4.677 4.350 -0.000 0.000 0.284 188 T C 0.767 175.537 174.700 0.115 0.000 0.992 188 T CA -0.713 61.446 62.100 0.099 0.000 0.957 188 T CB 0.884 69.776 68.868 0.040 0.000 0.942 188 T HN 0.656 nan 8.240 nan 0.000 0.439 189 I N -0.216 120.436 120.570 0.137 0.000 4.018 189 I HA 0.180 4.350 4.170 -0.000 0.000 0.337 189 I C 1.907 178.105 176.117 0.135 0.000 1.327 189 I CA -0.289 61.090 61.300 0.133 0.000 1.100 189 I CB -0.496 37.570 38.000 0.110 0.000 1.025 189 I HN 0.408 nan 8.210 nan 0.000 0.396 190 T N 2.111 116.779 114.554 0.190 0.000 2.620 190 T HA -0.309 4.041 4.350 -0.000 0.000 0.267 190 T C 2.035 176.810 174.700 0.125 0.000 1.044 190 T CA 2.282 64.489 62.100 0.178 0.000 1.161 190 T CB -0.491 68.555 68.868 0.295 0.000 0.862 190 T HN 0.610 nan 8.240 nan 0.000 0.438 191 A N 1.429 124.328 122.820 0.132 0.000 2.225 191 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 191 A C 1.825 179.449 177.584 0.066 0.000 1.164 191 A CA 1.386 53.477 52.037 0.090 0.000 0.710 191 A CB -0.346 18.707 19.000 0.088 0.000 0.780 191 A HN 0.477 nan 8.150 nan 0.000 0.473 192 D N -0.558 119.887 120.400 0.075 0.000 2.380 192 D HA 0.073 4.713 4.640 -0.000 0.000 0.212 192 D C 1.434 177.757 176.300 0.039 0.000 1.021 192 D CA 0.974 55.013 54.000 0.064 0.000 0.884 192 D CB -0.019 40.845 40.800 0.108 0.000 1.001 192 D HN 0.734 nan 8.370 nan 0.000 0.506 193 I N -1.305 119.286 120.570 0.035 0.000 3.927 193 I HA 0.263 4.433 4.170 -0.000 0.000 0.332 193 I C -0.601 175.581 176.117 0.108 0.000 1.485 193 I CA -0.105 61.202 61.300 0.013 0.000 1.131 193 I CB 0.466 38.392 38.000 -0.123 0.000 1.092 193 I HN -0.365 nan 8.210 nan 0.000 0.410 194 T N 3.025 117.629 114.554 0.084 0.000 3.250 194 T HA 0.396 4.746 4.350 -0.000 0.000 0.391 194 T C -1.796 172.845 174.700 -0.098 0.000 1.502 194 T CA -0.762 61.396 62.100 0.097 0.000 1.320 194 T CB 1.069 70.014 68.868 0.129 0.000 1.102 194 T HN 0.191 nan 8.240 nan 0.000 0.610 195 P HA 0.168 nan 4.420 nan 0.000 0.239 195 P C -0.088 176.965 177.300 -0.411 0.000 1.188 195 P CA 0.350 63.281 63.100 -0.281 0.000 0.794 195 P CB 0.484 32.041 31.700 -0.238 0.000 0.937 196 D N 0.828 120.771 120.400 -0.762 0.000 2.373 196 D HA 0.176 4.816 4.640 -0.000 0.000 0.227 196 D C -1.817 174.216 176.300 -0.445 0.000 1.091 196 D CA -2.255 51.311 54.000 -0.724 0.000 0.840 196 D CB 1.904 41.954 40.800 -1.250 0.000 1.060 196 D HN -0.107 nan 8.370 nan 0.000 0.502 197 P HA 0.015 nan 4.420 nan 0.000 0.222 197 P C 1.162 178.454 177.300 -0.014 0.000 1.147 197 P CA 0.571 63.622 63.100 -0.081 0.000 0.790 197 P CB 0.346 32.008 31.700 -0.063 0.000 0.780 198 G N -2.197 106.598 108.800 -0.008 0.000 2.813 198 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 198 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 198 G C -0.198 174.839 174.900 0.227 0.000 1.150 198 G CA -0.293 44.855 45.100 0.081 0.000 0.785 198 G HN 0.154 nan 8.290 nan 0.000 0.535 199 W N 2.293 123.584 121.300 -0.015 0.000 2.688 199 W HA 0.310 4.970 4.660 0.000 0.000 0.402 199 W C 1.559 178.055 176.519 -0.038 0.000 1.188 199 W CA -1.258 56.075 57.345 -0.020 0.000 1.561 199 W CB -0.228 29.222 29.460 -0.016 0.000 1.653 199 W HN 0.319 nan 8.180 nan 0.000 0.442 200 R N 0.780 121.356 120.500 0.128 0.000 2.297 200 R HA 0.223 4.563 4.340 -0.000 0.000 0.197 200 R C 0.507 176.780 176.300 -0.044 0.000 0.943 200 R CA 0.204 56.318 56.100 0.024 0.000 1.038 200 R CB 0.470 30.765 30.300 -0.008 0.000 0.957 200 R HN 0.119 nan 8.270 nan 0.000 0.484 201 S N 0.153 115.815 115.700 -0.063 0.000 2.570 201 S HA 0.584 5.054 4.470 -0.000 0.000 0.270 201 S C -1.885 172.745 174.600 0.049 0.000 1.149 201 S CA -0.992 57.144 58.200 -0.107 0.000 0.837 201 S CB 1.430 64.373 63.200 -0.428 0.000 1.124 201 S HN 0.471 nan 8.310 nan 0.000 0.465 202 R N 1.329 121.990 120.500 0.269 0.000 2.687 202 R HA 0.569 4.909 4.340 -0.000 0.000 0.265 202 R C -2.128 174.502 176.300 0.549 0.000 1.048 202 R CA -0.799 55.541 56.100 0.401 0.000 0.884 202 R CB 0.330 30.744 30.300 0.190 0.000 1.258 202 R HN 0.932 nan 8.270 nan 0.000 0.469 203 F N -0.358 119.698 119.950 0.175 0.000 2.623 203 F HA 0.718 5.245 4.527 -0.000 0.000 0.323 203 F C -0.993 174.635 175.800 -0.286 0.000 1.158 203 F CA -0.740 57.244 58.000 -0.026 0.000 1.030 203 F CB 1.573 40.441 39.000 -0.220 0.000 1.280 203 F HN 0.870 nan 8.300 nan 0.000 0.474 204 A N 3.106 125.475 122.820 -0.752 0.000 2.546 204 A HA 0.492 4.812 4.320 -0.000 0.000 0.243 204 A C 0.626 177.707 177.584 -0.838 0.000 1.063 204 A CA 0.152 51.402 52.037 -1.313 0.000 0.757 204 A CB -0.396 17.938 19.000 -1.111 0.000 0.991 204 A HN 1.762 nan 8.150 nan 0.000 0.503 205 A N 3.910 126.238 122.820 -0.819 0.000 2.476 205 A HA 0.465 4.785 4.320 -0.000 0.000 0.275 205 A C 1.059 178.476 177.584 -0.278 0.000 1.133 205 A CA 0.370 52.085 52.037 -0.537 0.000 0.797 205 A CB -0.725 18.012 19.000 -0.439 0.000 1.081 205 A HN 1.962 nan 8.150 nan 0.000 0.510 206 S N 2.768 118.402 115.700 -0.109 0.000 2.558 206 S HA 0.536 5.006 4.470 -0.000 0.000 0.288 206 S C 0.934 175.541 174.600 0.012 0.000 1.318 206 S CA 0.364 58.572 58.200 0.014 0.000 1.056 206 S CB 0.849 64.150 63.200 0.169 0.000 0.853 206 S HN 2.435 nan 8.310 nan 0.000 0.505 207 G N 1.821 110.653 108.800 0.053 0.000 1.781 207 G HA2 0.104 4.064 3.960 -0.000 0.000 0.082 207 G HA3 0.104 4.064 3.960 -0.000 0.000 0.082 207 G C -0.786 174.193 174.900 0.133 0.000 0.919 207 G CA -0.072 45.080 45.100 0.086 0.000 1.202 207 G HN 1.075 nan 8.290 nan 0.000 0.393 208 E N -0.170 120.098 120.200 0.114 0.000 2.335 208 E HA 0.539 4.889 4.350 -0.000 0.000 0.280 208 E C -0.017 176.653 176.600 0.118 0.000 0.918 208 E CA -0.174 56.324 56.400 0.165 0.000 0.765 208 E CB 1.371 31.197 29.700 0.210 0.000 1.218 208 E HN 0.969 nan 8.360 nan 0.000 0.425 209 G N 2.799 111.685 108.800 0.143 0.000 2.531 209 G HA2 0.637 4.597 3.960 -0.000 0.000 0.313 209 G HA3 0.637 4.597 3.960 -0.000 0.000 0.313 209 G C -0.091 174.904 174.900 0.158 0.000 1.238 209 G CA -0.682 44.488 45.100 0.115 0.000 0.994 209 G HN 0.575 nan 8.290 nan 0.000 0.493 210 I N -2.948 117.711 120.570 0.148 0.000 2.910 210 I HA 0.697 4.867 4.170 -0.000 0.000 0.310 210 I C -0.930 175.287 176.117 0.167 0.000 1.043 210 I CA -1.087 60.300 61.300 0.143 0.000 1.053 210 I CB 2.454 40.518 38.000 0.107 0.000 1.242 210 I HN 0.447 nan 8.210 nan 0.000 0.452 211 Q N 3.643 123.526 119.800 0.137 0.000 2.340 211 Q HA 0.527 4.867 4.340 -0.000 0.000 0.268 211 Q C -1.563 174.471 176.000 0.057 0.000 1.031 211 Q CA -0.866 55.015 55.803 0.130 0.000 0.804 211 Q CB 2.330 31.160 28.738 0.153 0.000 1.286 211 Q HN 0.740 nan 8.270 nan 0.000 0.448 212 L N 4.214 125.468 121.223 0.051 0.000 2.455 212 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 212 L C 1.241 178.086 176.870 -0.042 0.000 1.174 212 L CA 0.034 54.868 54.840 -0.010 0.000 0.869 212 L CB 0.392 42.478 42.059 0.044 0.000 1.130 212 L HN 0.653 nan 8.230 nan 0.000 0.474 213 R N 2.149 122.523 120.500 -0.210 0.000 2.308 213 R HA 0.152 4.492 4.340 -0.000 0.000 0.202 213 R C -0.549 175.751 176.300 0.000 0.000 0.898 213 R CA 0.282 56.272 56.100 -0.183 0.000 1.046 213 R CB 0.264 30.367 30.300 -0.327 0.000 1.026 213 R HN 0.395 nan 8.270 nan 0.000 0.512 214 Y N 0.199 120.536 120.300 0.061 0.000 2.621 214 Y HA 0.583 5.133 4.550 -0.000 0.000 0.334 214 Y C 1.200 177.115 175.900 0.025 0.000 1.074 214 Y CA -1.119 57.005 58.100 0.040 0.000 1.149 214 Y CB 0.302 38.785 38.460 0.039 0.000 1.302 214 Y HN 0.272 nan 8.280 nan 0.000 0.501 215 G N 0.986 109.895 108.800 0.183 0.000 2.697 215 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.240 215 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.240 215 G C -1.798 173.081 174.900 -0.035 0.000 1.346 215 G CA -0.368 44.764 45.100 0.053 0.000 0.887 215 G HN 0.581 nan 8.290 nan 0.000 0.569 216 P HA 0.004 nan 4.420 nan 0.000 0.230 216 P C 0.642 177.713 177.300 -0.381 0.000 1.158 216 P CA 1.430 64.349 63.100 -0.302 0.000 0.769 216 P CB -0.006 31.433 31.700 -0.434 0.000 0.807 217 H N -0.762 118.312 119.070 0.006 0.000 2.542 217 H HA 0.410 4.966 4.556 -0.000 0.000 0.283 217 H C 0.769 176.103 175.328 0.010 0.000 1.059 217 H CA -0.729 55.312 56.048 -0.011 0.000 1.162 217 H CB -0.019 29.716 29.762 -0.045 0.000 1.539 217 H HN 0.080 nan 8.280 nan 0.000 0.543 218 A N 0.645 123.523 122.820 0.096 0.000 2.565 218 A HA 0.352 4.672 4.320 -0.000 0.000 0.237 218 A C 1.618 179.260 177.584 0.096 0.000 1.053 218 A CA 1.209 53.302 52.037 0.093 0.000 0.755 218 A CB -0.254 18.802 19.000 0.093 0.000 0.980 218 A HN 0.626 nan 8.150 nan 0.000 0.506 219 G N 1.392 110.256 108.800 0.107 0.000 2.399 219 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 219 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 219 G C 0.656 175.629 174.900 0.122 0.000 1.096 219 G CA 0.399 45.590 45.100 0.151 0.000 0.650 219 G HN 1.180 nan 8.290 nan 0.000 0.512 220 R N 1.377 121.924 120.500 0.078 0.000 2.474 220 R HA 0.198 4.538 4.340 -0.000 0.000 0.290 220 R C 0.168 176.539 176.300 0.118 0.000 0.918 220 R CA 0.323 56.462 56.100 0.065 0.000 1.130 220 R CB -0.213 30.117 30.300 0.049 0.000 0.881 220 R HN 0.410 nan 8.270 nan 0.000 0.416 221 L N 6.922 128.226 121.223 0.135 0.000 2.292 221 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 221 L C -0.019 177.070 176.870 0.364 0.000 1.065 221 L CA -0.517 54.482 54.840 0.264 0.000 0.806 221 L CB 1.163 43.418 42.059 0.327 0.000 1.175 221 L HN 0.540 nan 8.230 nan 0.000 0.431 222 I N 2.755 123.508 120.570 0.305 0.000 2.439 222 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 222 I C -0.558 175.645 176.117 0.144 0.000 1.021 222 I CA -0.644 60.818 61.300 0.269 0.000 1.091 222 I CB 1.785 39.904 38.000 0.198 0.000 1.242 222 I HN 0.511 nan 8.210 nan 0.000 0.439 223 Q N 5.096 124.912 119.800 0.026 0.000 2.282 223 Q HA 0.382 4.722 4.340 -0.000 0.000 0.260 223 Q C -1.031 174.884 176.000 -0.142 0.000 0.964 223 Q CA -0.509 55.139 55.803 -0.259 0.000 0.880 223 Q CB 1.588 29.762 28.738 -0.940 0.000 1.286 223 Q HN 0.390 nan 8.270 nan 0.000 0.445 224 Q N 2.470 122.136 119.800 -0.224 0.000 2.259 224 Q HA 0.335 4.675 4.340 -0.000 0.000 0.249 224 Q C -1.040 174.749 176.000 -0.352 0.000 0.914 224 Q CA 0.012 55.715 55.803 -0.167 0.000 0.904 224 Q CB 0.890 29.514 28.738 -0.190 0.000 1.213 224 Q HN 0.631 nan 8.270 nan 0.000 0.428 225 Y N -0.553 119.569 120.300 -0.297 0.000 2.587 225 Y HA 0.458 5.008 4.550 -0.000 0.000 0.337 225 Y C 0.301 175.963 175.900 -0.397 0.000 1.065 225 Y CA -0.750 57.124 58.100 -0.378 0.000 1.126 225 Y CB 1.797 40.084 38.460 -0.288 0.000 1.279 225 Y HN 0.314 nan 8.280 nan 0.000 0.489 226 T N 3.541 117.883 114.554 -0.353 0.000 2.797 226 T HA 0.642 4.992 4.350 -0.000 0.000 0.279 226 T C -0.691 173.989 174.700 -0.033 0.000 0.991 226 T CA -0.508 61.454 62.100 -0.230 0.000 0.979 226 T CB 0.619 69.310 68.868 -0.295 0.000 0.943 226 T HN 0.480 nan 8.240 nan 0.000 0.444 227 I N -0.184 120.315 120.570 -0.119 0.000 3.023 227 I HA 0.734 4.904 4.170 -0.000 0.000 0.312 227 I C -1.049 174.961 176.117 -0.177 0.000 1.056 227 I CA -1.235 59.950 61.300 -0.191 0.000 1.033 227 I CB 1.311 38.899 38.000 -0.687 0.000 1.233 227 I HN 0.565 nan 8.210 nan 0.000 0.462 228 I N 3.779 124.210 120.570 -0.232 0.000 2.355 228 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 228 I C -0.583 175.495 176.117 -0.064 0.000 0.999 228 I CA -0.640 60.556 61.300 -0.173 0.000 1.163 228 I CB 0.956 38.774 38.000 -0.305 0.000 1.316 228 I HN 0.801 nan 8.210 nan 0.000 0.454 229 N N 5.354 124.064 118.700 0.017 0.000 2.379 229 N HA 0.290 5.030 4.740 -0.000 0.000 0.260 229 N C 1.046 176.639 175.510 0.139 0.000 1.254 229 N CA -0.221 52.934 53.050 0.174 0.000 0.958 229 N CB 0.595 39.224 38.487 0.235 0.000 1.208 229 N HN 0.570 nan 8.380 nan 0.000 0.532 230 A N 0.091 123.005 122.820 0.158 0.000 1.903 230 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 230 A C 2.051 179.678 177.584 0.072 0.000 1.191 230 A CA 2.574 54.668 52.037 0.095 0.000 0.638 230 A CB -1.735 17.314 19.000 0.081 0.000 0.823 230 A HN 0.943 nan 8.150 nan 0.000 0.451 231 A N -1.800 121.066 122.820 0.078 0.000 2.248 231 A HA 0.366 4.686 4.320 -0.000 0.000 0.210 231 A C 1.923 179.547 177.584 0.067 0.000 1.174 231 A CA 1.302 53.376 52.037 0.063 0.000 0.750 231 A CB -1.285 17.751 19.000 0.060 0.000 0.780 231 A HN 2.094 nan 8.150 nan 0.000 0.478 232 G N -1.995 106.852 108.800 0.078 0.000 2.153 232 G HA2 0.024 3.984 3.960 -0.000 0.000 0.252 232 G HA3 0.024 3.984 3.960 -0.000 0.000 0.252 232 G C 0.422 175.412 174.900 0.150 0.000 0.994 232 G CA 0.500 45.657 45.100 0.095 0.000 0.698 232 G HN 1.641 nan 8.290 nan 0.000 0.521 233 A N -0.221 122.682 122.820 0.138 0.000 2.388 233 A HA 0.672 4.992 4.320 -0.000 0.000 0.257 233 A C 0.065 177.835 177.584 0.310 0.000 1.095 233 A CA -0.299 51.836 52.037 0.163 0.000 0.791 233 A CB 0.259 19.322 19.000 0.105 0.000 1.029 233 A HN 0.548 nan 8.150 nan 0.000 0.489 234 F N 1.447 121.417 119.950 0.034 0.000 2.445 234 F HA 0.312 4.839 4.527 0.000 0.000 0.359 234 F C 0.982 176.792 175.800 0.016 0.000 1.101 234 F CA -0.030 58.007 58.000 0.062 0.000 1.177 234 F CB 0.698 39.771 39.000 0.123 0.000 1.110 234 F HN 0.548 nan 8.300 nan 0.000 0.522 235 Q N 1.688 121.549 119.800 0.101 0.000 2.387 235 Q HA 0.782 5.122 4.340 -0.000 0.000 0.273 235 Q C -0.833 175.120 176.000 -0.078 0.000 1.089 235 Q CA -1.276 54.524 55.803 -0.006 0.000 0.824 235 Q CB 2.868 31.561 28.738 -0.076 0.000 1.367 235 Q HN 0.669 nan 8.270 nan 0.000 0.443 236 A N 1.179 123.951 122.820 -0.080 0.000 2.306 236 A HA 0.731 5.051 4.320 -0.000 0.000 0.314 236 A C -0.939 176.575 177.584 -0.117 0.000 1.164 236 A CA -0.500 51.462 52.037 -0.125 0.000 0.822 236 A CB 1.309 20.218 19.000 -0.151 0.000 1.130 236 A HN 0.410 nan 8.150 nan 0.000 0.496 237 V N 1.770 121.624 119.914 -0.101 0.000 2.891 237 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 237 V C -0.301 175.853 176.094 0.099 0.000 1.171 237 V CA -0.429 61.873 62.300 0.004 0.000 0.943 237 V CB 2.438 34.216 31.823 -0.075 0.000 1.037 237 V HN 0.987 nan 8.190 nan 0.000 0.427 238 S N 4.111 119.960 115.700 0.248 0.000 2.545 238 S HA 0.574 5.044 4.470 -0.000 0.000 0.275 238 S C -0.365 174.423 174.600 0.313 0.000 1.299 238 S CA -0.300 58.088 58.200 0.313 0.000 1.048 238 S CB 1.392 64.852 63.200 0.434 0.000 0.938 238 S HN 0.645 nan 8.310 nan 0.000 0.496 239 V N 5.216 125.279 119.914 0.248 0.000 2.394 239 V HA 0.524 4.644 4.120 -0.000 0.000 0.282 239 V C -0.786 175.531 176.094 0.370 0.000 1.031 239 V CA -0.455 61.933 62.300 0.146 0.000 0.881 239 V CB 0.412 32.202 31.823 -0.054 0.000 0.982 239 V HN 0.853 nan 8.190 nan 0.000 0.451 240 Y N 2.030 122.525 120.300 0.325 0.000 2.581 240 Y HA 0.829 5.379 4.550 -0.000 0.000 0.345 240 Y C -0.330 175.672 175.900 0.169 0.000 1.036 240 Y CA -1.217 57.066 58.100 0.306 0.000 1.042 240 Y CB 2.041 40.580 38.460 0.130 0.000 1.289 240 Y HN 0.385 nan 8.280 nan 0.000 0.471 241 S N 0.443 116.150 115.700 0.011 0.000 2.594 241 S HA 0.335 4.805 4.470 -0.000 0.000 0.296 241 S C -0.842 173.631 174.600 -0.211 0.000 1.124 241 S CA -0.659 57.268 58.200 -0.455 0.000 1.011 241 S CB 0.794 63.139 63.200 -1.425 0.000 1.016 241 S HN 0.751 nan 8.310 nan 0.000 0.485 242 D N 2.211 122.514 120.400 -0.161 0.000 2.339 242 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 242 D C 0.274 176.385 176.300 -0.316 0.000 1.050 242 D CA 0.376 54.283 54.000 -0.155 0.000 0.856 242 D CB 0.298 41.070 40.800 -0.046 0.000 0.922 242 D HN 0.727 nan 8.370 nan 0.000 0.518 243 D N -0.819 119.357 120.400 -0.373 0.000 2.788 243 D HA -0.007 4.633 4.640 -0.000 0.000 0.289 243 D C -0.037 176.077 176.300 -0.309 0.000 1.340 243 D CA -0.667 53.102 54.000 -0.384 0.000 0.831 243 D CB -0.497 40.181 40.800 -0.204 0.000 1.103 243 D HN -0.043 nan 8.370 nan 0.000 0.476 244 H N -0.352 118.648 119.070 -0.117 0.000 2.899 244 H HA -0.147 4.409 4.556 -0.000 0.000 0.282 244 H C 1.445 176.827 175.328 0.090 0.000 1.198 244 H CA 1.280 57.332 56.048 0.005 0.000 1.140 244 H CB -1.622 28.176 29.762 0.061 0.000 1.317 244 H HN 0.658 nan 8.280 nan 0.000 0.375 245 G N -0.810 107.845 108.800 -0.242 0.000 2.284 245 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.216 245 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.216 245 G C 1.443 176.261 174.900 -0.137 0.000 1.009 245 G CA 0.445 45.404 45.100 -0.235 0.000 0.625 245 G HN 0.482 nan 8.290 nan 0.000 0.501 246 R N 0.855 121.325 120.500 -0.048 0.000 2.133 246 R HA -0.045 4.295 4.340 -0.000 0.000 0.245 246 R C 1.385 177.649 176.300 -0.059 0.000 1.137 246 R CA 2.124 58.221 56.100 -0.005 0.000 0.947 246 R CB -0.677 29.617 30.300 -0.011 0.000 0.865 246 R HN 0.741 nan 8.270 nan 0.000 0.437 247 T N -2.998 111.411 114.554 -0.242 0.000 2.893 247 T HA 0.491 4.841 4.350 -0.000 0.000 0.293 247 T C -1.240 173.241 174.700 -0.365 0.000 1.027 247 T CA -0.946 61.054 62.100 -0.167 0.000 0.988 247 T CB 1.544 70.361 68.868 -0.086 0.000 1.043 247 T HN 0.208 nan 8.240 nan 0.000 0.461 248 W N 1.860 123.150 121.300 -0.015 0.000 2.736 248 W HA 0.738 5.398 4.660 -0.000 0.000 0.335 248 W C 0.287 176.737 176.519 -0.115 0.000 1.059 248 W CA -0.894 56.422 57.345 -0.048 0.000 1.226 248 W CB 1.962 31.429 29.460 0.012 0.000 1.416 248 W HN 1.045 nan 8.180 nan 0.000 0.505 249 R N 1.224 121.707 120.500 -0.029 0.000 2.808 249 R HA 0.948 5.288 4.340 -0.000 0.000 0.272 249 R C -1.094 175.000 176.300 -0.343 0.000 0.995 249 R CA -1.178 54.814 56.100 -0.181 0.000 0.917 249 R CB 1.342 31.516 30.300 -0.210 0.000 1.217 249 R HN 0.452 nan 8.270 nan 0.000 0.471 250 A N 1.207 123.923 122.820 -0.174 0.000 2.331 250 A HA 0.609 4.929 4.320 -0.000 0.000 0.283 250 A C 0.422 178.024 177.584 0.029 0.000 1.142 250 A CA -0.030 51.977 52.037 -0.050 0.000 0.812 250 A CB 0.686 19.798 19.000 0.187 0.000 1.074 250 A HN 0.877 nan 8.150 nan 0.000 0.497 251 G N 0.493 109.431 108.800 0.230 0.000 2.494 251 G HA2 0.446 4.406 3.960 -0.000 0.000 0.270 251 G HA3 0.446 4.406 3.960 -0.000 0.000 0.270 251 G C -0.250 174.734 174.900 0.139 0.000 1.423 251 G CA -0.607 44.705 45.100 0.353 0.000 1.055 251 G HN 0.784 nan 8.290 nan 0.000 0.536 252 E N 0.192 120.323 120.200 -0.116 0.000 2.229 252 E HA 0.425 4.775 4.350 -0.000 0.000 0.283 252 E C 0.229 176.927 176.600 0.163 0.000 1.030 252 E CA -0.418 55.987 56.400 0.008 0.000 0.836 252 E CB 1.360 30.983 29.700 -0.128 0.000 1.068 252 E HN 0.530 nan 8.360 nan 0.000 0.401 253 A N 3.177 126.169 122.820 0.287 0.000 2.546 253 A HA 0.169 4.489 4.320 -0.000 0.000 0.243 253 A C -0.159 177.509 177.584 0.141 0.000 1.063 253 A CA -0.079 52.075 52.037 0.196 0.000 0.757 253 A CB 0.462 19.646 19.000 0.308 0.000 0.991 253 A HN 0.396 nan 8.150 nan 0.000 0.503 254 V N 2.601 122.567 119.914 0.086 0.000 2.841 254 V HA 0.810 4.930 4.120 -0.000 0.000 0.310 254 V C 0.218 176.330 176.094 0.030 0.000 1.090 254 V CA 0.945 63.292 62.300 0.079 0.000 0.930 254 V CB 1.571 33.469 31.823 0.125 0.000 1.014 254 V HN 2.654 nan 8.190 nan 0.000 0.425 255 G N 3.907 112.731 108.800 0.039 0.000 2.692 255 G HA2 0.259 4.219 3.960 -0.000 0.000 0.686 255 G HA3 0.259 4.219 3.960 -0.000 0.000 0.686 255 G C -0.998 173.929 174.900 0.044 0.000 1.243 255 G CA -0.176 44.941 45.100 0.029 0.000 0.782 255 G HN 1.962 nan 8.290 nan 0.000 0.625 256 V N -0.530 119.411 119.914 0.044 0.000 2.960 256 V HA 0.968 5.088 4.120 -0.000 0.000 0.315 256 V C 1.454 177.580 176.094 0.053 0.000 1.087 256 V CA 0.073 62.406 62.300 0.056 0.000 0.982 256 V CB 1.243 33.091 31.823 0.040 0.000 1.039 256 V HN 3.031 nan 8.190 nan 0.000 0.437 257 G N 2.187 111.023 108.800 0.059 0.000 2.249 257 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.273 257 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.273 257 G C -0.021 174.936 174.900 0.095 0.000 1.036 257 G CA 0.736 45.858 45.100 0.036 0.000 0.824 257 G HN 0.708 nan 8.290 nan 0.000 0.504 258 M N -0.661 119.037 119.600 0.163 0.000 2.336 258 M HA 0.731 5.211 4.480 -0.000 0.000 0.256 258 M C 0.565 177.014 176.300 0.247 0.000 1.176 258 M CA -0.555 54.829 55.300 0.140 0.000 0.948 258 M CB 0.693 33.331 32.600 0.064 0.000 1.393 258 M HN 0.303 nan 8.290 nan 0.000 0.528 259 D N -1.552 118.924 120.400 0.126 0.000 3.038 259 D HA 0.280 4.920 4.640 -0.000 0.000 0.351 259 D C -1.504 174.762 176.300 -0.057 0.000 1.442 259 D CA -0.307 53.769 54.000 0.126 0.000 0.802 259 D CB 0.911 41.852 40.800 0.234 0.000 1.406 259 D HN 0.672 nan 8.370 nan 0.000 0.488 260 A N 1.362 124.128 122.820 -0.089 0.000 2.602 260 A HA 0.206 4.526 4.320 -0.000 0.000 0.257 260 A C 0.294 177.765 177.584 -0.188 0.000 0.973 260 A CA 1.103 53.001 52.037 -0.232 0.000 0.862 260 A CB -0.830 18.095 19.000 -0.126 0.000 0.855 260 A HN 0.448 nan 8.150 nan 0.000 0.492 261 N N 1.793 120.356 118.700 -0.227 0.000 2.494 261 N HA 0.587 5.327 4.740 -0.000 0.000 0.270 261 N C -1.603 173.820 175.510 -0.145 0.000 1.285 261 N CA -0.987 51.969 53.050 -0.156 0.000 0.812 261 N CB 1.484 39.880 38.487 -0.151 0.000 1.557 261 N HN 0.396 nan 8.380 nan 0.000 0.487 262 K N 0.436 120.788 120.400 -0.080 0.000 2.443 262 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 262 K C -0.607 175.992 176.600 -0.002 0.000 0.972 262 K CA -0.427 55.837 56.287 -0.037 0.000 0.833 262 K CB 2.108 34.615 32.500 0.012 0.000 1.317 262 K HN 0.861 nan 8.250 nan 0.000 0.441 263 T N -2.790 111.784 114.554 0.033 0.000 2.906 263 T HA 0.708 5.058 4.350 -0.000 0.000 0.295 263 T C -0.797 173.966 174.700 0.105 0.000 1.075 263 T CA -0.909 61.239 62.100 0.080 0.000 1.005 263 T CB 1.748 70.682 68.868 0.111 0.000 1.136 263 T HN 0.309 nan 8.240 nan 0.000 0.498 264 V N 0.450 120.438 119.914 0.125 0.000 2.969 264 V HA 0.620 4.740 4.120 -0.000 0.000 0.304 264 V C -1.431 174.735 176.094 0.120 0.000 1.192 264 V CA -0.801 61.573 62.300 0.124 0.000 0.962 264 V CB 1.959 33.871 31.823 0.148 0.000 1.045 264 V HN 1.201 nan 8.190 nan 0.000 0.428 265 E N 5.794 126.052 120.200 0.096 0.000 2.156 265 E HA 0.579 4.929 4.350 -0.000 0.000 0.279 265 E C -1.177 175.501 176.600 0.131 0.000 0.965 265 E CA -0.607 55.850 56.400 0.095 0.000 0.789 265 E CB 1.447 31.161 29.700 0.024 0.000 1.098 265 E HN 0.705 nan 8.360 nan 0.000 0.397 266 L N 2.694 124.014 121.223 0.161 0.000 2.469 266 L HA 0.181 4.521 4.340 -0.000 0.000 0.253 266 L C 1.921 178.940 176.870 0.247 0.000 1.143 266 L CA -0.325 54.612 54.840 0.163 0.000 0.804 266 L CB 0.939 43.062 42.059 0.107 0.000 1.214 266 L HN 0.769 nan 8.230 nan 0.000 0.476 267 S N -0.404 115.409 115.700 0.188 0.000 2.440 267 S HA -0.202 4.268 4.470 -0.000 0.000 0.240 267 S C 0.962 175.578 174.600 0.027 0.000 1.014 267 S CA 1.482 59.773 58.200 0.151 0.000 0.980 267 S CB -0.507 62.732 63.200 0.066 0.000 0.775 267 S HN 0.864 nan 8.310 nan 0.000 0.499 268 D N -0.638 119.799 120.400 0.062 0.000 2.402 268 D HA 0.282 4.922 4.640 -0.000 0.000 0.216 268 D C 1.332 177.690 176.300 0.096 0.000 1.128 268 D CA 0.404 54.413 54.000 0.014 0.000 0.833 268 D CB -0.387 40.417 40.800 0.007 0.000 0.971 268 D HN 0.570 nan 8.370 nan 0.000 0.503 269 G N 0.931 109.892 108.800 0.269 0.000 2.179 269 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 269 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 269 G C 0.400 175.404 174.900 0.174 0.000 0.977 269 G CA -0.028 45.267 45.100 0.325 0.000 0.641 269 G HN 0.451 nan 8.290 nan 0.000 0.533 270 R N -0.162 120.414 120.500 0.128 0.000 2.643 270 R HA 0.409 4.748 4.340 -0.000 0.000 0.270 270 R C 0.225 176.589 176.300 0.107 0.000 1.061 270 R CA -0.031 56.124 56.100 0.092 0.000 1.107 270 R CB 0.901 31.245 30.300 0.074 0.000 0.999 270 R HN 0.095 nan 8.270 nan 0.000 0.460 271 V N 5.211 125.183 119.914 0.098 0.000 2.350 271 V HA 0.137 4.257 4.120 -0.000 0.000 0.276 271 V C -0.262 175.970 176.094 0.230 0.000 1.028 271 V CA -0.682 61.712 62.300 0.156 0.000 0.860 271 V CB 1.163 33.081 31.823 0.157 0.000 0.990 271 V HN 0.452 nan 8.190 nan 0.000 0.453 272 L N 6.365 127.699 121.223 0.185 0.000 2.281 272 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 272 L C -0.404 176.548 176.870 0.137 0.000 1.074 272 L CA 0.214 55.153 54.840 0.164 0.000 0.817 272 L CB 0.962 43.098 42.059 0.128 0.000 1.168 272 L HN 0.649 nan 8.230 nan 0.000 0.434 273 L N 6.068 127.332 121.223 0.068 0.000 2.312 273 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 273 L C -0.503 176.346 176.870 -0.035 0.000 1.070 273 L CA -0.085 54.699 54.840 -0.092 0.000 0.805 273 L CB 0.710 42.510 42.059 -0.432 0.000 1.174 273 L HN 0.740 nan 8.230 nan 0.000 0.434 274 N N 3.153 121.842 118.700 -0.019 0.000 2.480 274 N HA 0.279 5.019 4.740 -0.000 0.000 0.289 274 N C -1.844 173.666 175.510 0.000 0.000 1.073 274 N CA -0.186 52.873 53.050 0.015 0.000 0.885 274 N CB 1.966 40.501 38.487 0.079 0.000 1.421 274 N HN 0.587 nan 8.380 nan 0.000 0.503 275 S N 1.780 117.473 115.700 -0.011 0.000 2.607 275 S HA 0.476 4.946 4.470 -0.000 0.000 0.303 275 S C -0.359 174.244 174.600 0.004 0.000 1.086 275 S CA -0.813 57.371 58.200 -0.026 0.000 0.995 275 S CB 1.372 64.547 63.200 -0.042 0.000 1.084 275 S HN 0.641 nan 8.310 nan 0.000 0.507 276 R N 1.937 122.432 120.500 -0.008 0.000 2.401 276 R HA 0.149 4.489 4.340 -0.000 0.000 0.299 276 R C -0.935 175.391 176.300 0.043 0.000 1.064 276 R CA -0.156 55.952 56.100 0.013 0.000 1.000 276 R CB 0.281 30.579 30.300 -0.003 0.000 0.973 276 R HN 0.472 nan 8.270 nan 0.000 0.438 277 D N 2.834 123.263 120.400 0.048 0.000 2.393 277 D HA 0.003 4.643 4.640 -0.000 0.000 0.232 277 D C 0.746 177.079 176.300 0.056 0.000 1.192 277 D CA 0.032 54.065 54.000 0.055 0.000 0.882 277 D CB 1.131 41.966 40.800 0.058 0.000 1.038 277 D HN 0.648 nan 8.370 nan 0.000 0.499 278 S N 2.325 118.069 115.700 0.073 0.000 2.522 278 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 278 S C 1.680 176.266 174.600 -0.024 0.000 0.986 278 S CA 0.410 58.642 58.200 0.053 0.000 0.929 278 S CB 0.146 63.423 63.200 0.129 0.000 0.769 278 S HN 0.358 nan 8.310 nan 0.000 0.529 279 A N 1.747 124.564 122.820 -0.004 0.000 2.238 279 A HA 0.296 4.616 4.320 -0.000 0.000 0.208 279 A C 0.806 178.406 177.584 0.027 0.000 1.177 279 A CA -0.236 51.803 52.037 0.002 0.000 0.804 279 A CB -0.549 18.464 19.000 0.022 0.000 0.823 279 A HN 0.554 nan 8.150 nan 0.000 0.482 280 R N -0.543 119.970 120.500 0.022 0.000 3.144 280 R HA -0.147 4.193 4.340 -0.000 0.000 0.255 280 R C 0.849 177.165 176.300 0.026 0.000 0.949 280 R CA 0.630 56.738 56.100 0.012 0.000 0.649 280 R CB -2.783 27.513 30.300 -0.006 0.000 1.229 280 R HN 0.774 nan 8.270 nan 0.000 0.440 281 S N -0.773 114.955 115.700 0.048 0.000 2.470 281 S HA 0.135 4.605 4.470 -0.000 0.000 0.225 281 S C 1.588 176.194 174.600 0.010 0.000 1.006 281 S CA 0.781 59.040 58.200 0.098 0.000 0.934 281 S CB 0.789 64.094 63.200 0.175 0.000 0.778 281 S HN 1.208 nan 8.310 nan 0.000 0.517 282 G N -0.437 108.282 108.800 -0.134 0.000 2.176 282 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.232 282 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.232 282 G C -0.151 174.341 174.900 -0.680 0.000 0.986 282 G CA 0.268 45.114 45.100 -0.423 0.000 0.643 282 G HN 0.568 nan 8.290 nan 0.000 0.522 283 Y N -0.381 119.914 120.300 -0.009 0.000 2.638 283 Y HA 0.788 5.338 4.550 -0.000 0.000 0.339 283 Y C 0.548 176.441 175.900 -0.011 0.000 1.084 283 Y CA -1.449 56.641 58.100 -0.017 0.000 1.068 283 Y CB 0.812 39.258 38.460 -0.024 0.000 1.294 283 Y HN -0.018 nan 8.280 nan 0.000 0.480 284 R N 1.400 122.001 120.500 0.168 0.000 2.441 284 R HA 0.309 4.649 4.340 -0.000 0.000 0.284 284 R C -0.744 175.591 176.300 0.059 0.000 1.070 284 R CA -0.562 55.587 56.100 0.081 0.000 1.047 284 R CB 0.639 30.955 30.300 0.027 0.000 1.016 284 R HN 0.623 nan 8.270 nan 0.000 0.477 285 K N 1.428 121.849 120.400 0.036 0.000 2.143 285 K HA 0.365 4.685 4.320 -0.000 0.000 0.272 285 K C -0.098 176.499 176.600 -0.005 0.000 1.001 285 K CA -0.598 55.698 56.287 0.015 0.000 0.915 285 K CB 1.563 34.072 32.500 0.014 0.000 1.047 285 K HN 0.446 nan 8.250 nan 0.000 0.458 286 V N -1.361 118.548 119.914 -0.007 0.000 2.962 286 V HA 0.961 5.081 4.120 -0.000 0.000 0.313 286 V C -0.989 175.106 176.094 0.002 0.000 1.099 286 V CA -0.720 61.578 62.300 -0.004 0.000 0.971 286 V CB 1.630 33.461 31.823 0.013 0.000 1.028 286 V HN 0.898 nan 8.190 nan 0.000 0.430 287 A N 2.328 125.153 122.820 0.009 0.000 2.588 287 A HA 0.972 5.292 4.320 -0.000 0.000 0.290 287 A C -1.268 176.408 177.584 0.153 0.000 1.136 287 A CA -0.283 51.791 52.037 0.061 0.000 0.681 287 A CB 1.942 20.963 19.000 0.037 0.000 1.282 287 A HN 2.207 nan 8.150 nan 0.000 0.421 288 V N 0.020 120.074 119.914 0.233 0.000 2.808 288 V HA 0.712 4.832 4.120 -0.000 0.000 0.308 288 V C -0.473 175.750 176.094 0.214 0.000 1.099 288 V CA -0.080 62.373 62.300 0.256 0.000 0.920 288 V CB 2.045 33.946 31.823 0.129 0.000 1.014 288 V HN 1.324 nan 8.190 nan 0.000 0.425 289 S N 3.050 118.797 115.700 0.078 0.000 2.480 289 S HA 0.474 4.944 4.470 -0.000 0.000 0.286 289 S C 0.821 175.367 174.600 -0.091 0.000 1.180 289 S CA 0.204 58.254 58.200 -0.251 0.000 1.075 289 S CB 1.223 63.964 63.200 -0.766 0.000 0.996 289 S HN 1.129 nan 8.310 nan 0.000 0.487 290 T N 0.321 114.836 114.554 -0.066 0.000 3.145 290 T HA 0.225 4.575 4.350 -0.000 0.000 0.255 290 T C -0.009 174.694 174.700 0.004 0.000 1.039 290 T CA -0.176 61.918 62.100 -0.011 0.000 0.928 290 T CB -0.255 68.617 68.868 0.006 0.000 1.029 290 T HN 0.641 nan 8.240 nan 0.000 0.554 291 D N -0.134 120.243 120.400 -0.039 0.000 2.620 291 D HA 0.285 4.925 4.640 -0.000 0.000 0.260 291 D C 1.234 177.455 176.300 -0.131 0.000 1.367 291 D CA -0.286 53.718 54.000 0.006 0.000 0.805 291 D CB -0.371 40.434 40.800 0.009 0.000 1.096 291 D HN 0.377 nan 8.370 nan 0.000 0.488 292 G N 0.008 108.741 108.800 -0.112 0.000 2.182 292 G HA2 0.062 4.022 3.960 -0.000 0.000 0.248 292 G HA3 0.062 4.022 3.960 -0.000 0.000 0.248 292 G C 1.142 175.828 174.900 -0.357 0.000 1.042 292 G CA 0.411 45.400 45.100 -0.184 0.000 0.775 292 G HN 1.408 nan 8.290 nan 0.000 0.501 293 G N -1.654 106.927 108.800 -0.366 0.000 2.176 293 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 293 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 293 G C 0.805 175.504 174.900 -0.336 0.000 0.986 293 G CA 1.491 46.387 45.100 -0.341 0.000 0.643 293 G HN 1.772 nan 8.290 nan 0.000 0.522 294 H N 1.562 120.333 119.070 -0.497 0.000 2.293 294 H HA 0.245 4.801 4.556 -0.000 0.000 0.300 294 H C 1.655 176.925 175.328 -0.097 0.000 1.082 294 H CA 2.818 58.730 56.048 -0.227 0.000 1.308 294 H CB 0.046 29.688 29.762 -0.200 0.000 1.375 294 H HN 0.924 nan 8.280 nan 0.000 0.495 295 S N -1.284 114.220 115.700 -0.327 0.000 2.540 295 S HA 0.461 4.931 4.470 -0.000 0.000 0.275 295 S C -1.481 172.873 174.600 -0.410 0.000 1.123 295 S CA -0.981 57.056 58.200 -0.271 0.000 0.907 295 S CB 1.520 64.649 63.200 -0.119 0.000 1.081 295 S HN 0.232 nan 8.310 nan 0.000 0.476 296 Y N 0.898 121.197 120.300 -0.001 0.000 2.528 296 Y HA 0.722 5.272 4.550 -0.000 0.000 0.335 296 Y C 1.315 177.225 175.900 0.018 0.000 1.093 296 Y CA -0.254 57.854 58.100 0.014 0.000 1.134 296 Y CB 1.456 39.924 38.460 0.014 0.000 1.253 296 Y HN 1.039 nan 8.280 nan 0.000 0.478 297 G N 0.819 109.716 108.800 0.162 0.000 2.489 297 G HA2 0.358 4.318 3.960 -0.000 0.000 0.271 297 G HA3 0.358 4.318 3.960 -0.000 0.000 0.271 297 G C -2.524 172.434 174.900 0.097 0.000 1.427 297 G CA -1.287 43.874 45.100 0.101 0.000 1.057 297 G HN 0.387 nan 8.290 nan 0.000 0.532 298 P HA 0.180 nan 4.420 nan 0.000 0.266 298 P C -0.410 176.917 177.300 0.045 0.000 1.193 298 P CA -0.185 62.943 63.100 0.047 0.000 0.770 298 P CB 0.705 32.424 31.700 0.031 0.000 0.836 299 V N 2.905 122.837 119.914 0.031 0.000 2.439 299 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 299 V C 0.598 176.697 176.094 0.007 0.000 1.039 299 V CA -0.212 62.098 62.300 0.017 0.000 0.913 299 V CB 1.087 32.916 31.823 0.010 0.000 0.983 299 V HN 0.718 nan 8.190 nan 0.000 0.460 300 T N 1.919 116.474 114.554 0.001 0.000 2.924 300 T HA 0.737 5.087 4.350 -0.000 0.000 0.291 300 T C -0.504 174.185 174.700 -0.017 0.000 1.045 300 T CA -0.755 61.337 62.100 -0.012 0.000 1.015 300 T CB 1.713 70.570 68.868 -0.018 0.000 1.103 300 T HN 0.215 nan 8.240 nan 0.000 0.496 301 I N 2.419 122.970 120.570 -0.031 0.000 2.533 301 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 301 I C 0.243 176.298 176.117 -0.103 0.000 1.109 301 I CA 0.274 61.550 61.300 -0.041 0.000 1.412 301 I CB 0.401 38.375 38.000 -0.042 0.000 1.396 301 I HN 0.646 nan 8.210 nan 0.000 0.543 302 D N 6.694 127.045 120.400 -0.082 0.000 2.428 302 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 302 D C 0.886 177.055 176.300 -0.218 0.000 1.123 302 D CA -0.260 53.675 54.000 -0.108 0.000 0.869 302 D CB 0.587 41.359 40.800 -0.046 0.000 1.032 302 D HN 0.372 nan 8.370 nan 0.000 0.506 303 R N 2.136 122.396 120.500 -0.400 0.000 2.323 303 R HA -0.006 4.334 4.340 -0.000 0.000 0.198 303 R C 0.365 176.546 176.300 -0.198 0.000 0.988 303 R CA 0.287 55.972 56.100 -0.691 0.000 1.041 303 R CB 0.428 30.310 30.300 -0.696 0.000 0.926 303 R HN 0.402 nan 8.270 nan 0.000 0.476 304 D N 0.605 120.960 120.400 -0.075 0.000 2.269 304 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 304 D C 0.554 176.841 176.300 -0.022 0.000 0.963 304 D CA 0.973 54.977 54.000 0.007 0.000 0.864 304 D CB 0.310 41.179 40.800 0.115 0.000 0.936 304 D HN 0.192 nan 8.370 nan 0.000 0.505 305 L N 2.499 123.722 121.223 0.001 0.000 2.502 305 L HA 0.279 4.619 4.340 -0.000 0.000 0.247 305 L C -2.456 174.526 176.870 0.187 0.000 1.180 305 L CA -1.701 53.115 54.840 -0.040 0.000 0.956 305 L CB 1.525 43.404 42.059 -0.299 0.000 1.282 305 L HN -0.292 nan 8.230 nan 0.000 0.470 306 P HA 0.129 nan 4.420 nan 0.000 0.271 306 P C -1.089 176.173 177.300 -0.064 0.000 1.216 306 P CA 0.127 63.187 63.100 -0.067 0.000 0.771 306 P CB 1.656 33.284 31.700 -0.120 0.000 0.864 307 D N 3.009 123.331 120.400 -0.130 0.000 2.947 307 D HA 0.289 4.929 4.640 -0.000 0.000 0.224 307 D C -2.166 174.078 176.300 -0.093 0.000 1.230 307 D CA -1.927 52.037 54.000 -0.061 0.000 0.871 307 D CB 1.757 42.564 40.800 0.011 0.000 1.671 307 D HN 0.097 nan 8.370 nan 0.000 0.507 308 P HA 0.165 nan 4.420 nan 0.000 0.256 308 P C -0.921 176.364 177.300 -0.025 0.000 1.384 308 P CA 0.054 63.120 63.100 -0.058 0.000 0.879 308 P CB 0.039 31.712 31.700 -0.046 0.000 1.403 309 T N -1.467 113.079 114.554 -0.013 0.000 3.599 309 T HA -0.137 4.213 4.350 -0.000 0.000 0.405 309 T C -0.365 174.357 174.700 0.037 0.000 0.764 309 T CA 0.240 62.350 62.100 0.017 0.000 2.142 309 T CB -2.342 66.541 68.868 0.024 0.000 1.737 309 T HN 0.383 nan 8.240 nan 0.000 0.773 310 N N 0.691 119.398 118.700 0.010 0.000 2.494 310 N HA 0.522 5.262 4.740 -0.000 0.000 0.270 310 N C -0.971 174.448 175.510 -0.152 0.000 1.285 310 N CA -0.768 52.277 53.050 -0.009 0.000 0.812 310 N CB 1.356 39.854 38.487 0.018 0.000 1.557 310 N HN 0.242 nan 8.380 nan 0.000 0.487 311 N N 0.316 118.746 118.700 -0.449 0.000 2.444 311 N HA 0.636 5.375 4.740 -0.000 0.000 0.255 311 N C -1.150 174.173 175.510 -0.312 0.000 1.255 311 N CA 0.147 52.870 53.050 -0.545 0.000 0.933 311 N CB 0.898 38.679 38.487 -1.177 0.000 1.143 311 N HN 0.616 nan 8.380 nan 0.000 0.453 312 A N 0.178 122.864 122.820 -0.223 0.000 2.583 312 A HA 0.680 5.000 4.320 -0.000 0.000 0.289 312 A C -1.054 176.419 177.584 -0.185 0.000 1.151 312 A CA -0.539 51.358 52.037 -0.232 0.000 0.695 312 A CB 0.798 19.684 19.000 -0.190 0.000 1.290 312 A HN 0.718 nan 8.150 nan 0.000 0.419 313 S N -0.391 115.150 115.700 -0.265 0.000 2.549 313 S HA 0.803 5.273 4.470 -0.000 0.000 0.280 313 S C -1.040 173.550 174.600 -0.016 0.000 1.109 313 S CA -0.484 57.660 58.200 -0.092 0.000 0.905 313 S CB 1.460 64.632 63.200 -0.047 0.000 1.081 313 S HN 1.530 nan 8.310 nan 0.000 0.477 314 I N 3.129 123.779 120.570 0.133 0.000 2.548 314 I HA 0.585 4.755 4.170 -0.000 0.000 0.287 314 I C -1.461 174.774 176.117 0.197 0.000 1.103 314 I CA -1.124 60.334 61.300 0.263 0.000 1.049 314 I CB 1.310 39.552 38.000 0.403 0.000 1.232 314 I HN 0.959 nan 8.210 nan 0.000 0.429 315 I N 4.085 124.771 120.570 0.193 0.000 3.002 315 I HA 0.618 4.788 4.170 -0.000 0.000 0.310 315 I C -0.712 175.498 176.117 0.154 0.000 1.087 315 I CA -1.096 60.296 61.300 0.154 0.000 1.017 315 I CB 1.727 39.807 38.000 0.132 0.000 1.226 315 I HN 0.378 nan 8.210 nan 0.000 0.443 316 R N 2.359 122.940 120.500 0.135 0.000 2.347 316 R HA 0.333 4.673 4.340 -0.000 0.000 0.304 316 R C 0.751 177.109 176.300 0.097 0.000 1.072 316 R CA 0.292 56.469 56.100 0.130 0.000 0.980 316 R CB 1.383 31.766 30.300 0.138 0.000 0.986 316 R HN 0.967 nan 8.270 nan 0.000 0.448 317 A N 3.665 126.488 122.820 0.004 0.000 1.929 317 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 317 A C 0.402 177.750 177.584 -0.393 0.000 1.176 317 A CA 1.023 52.933 52.037 -0.212 0.000 0.628 317 A CB 0.018 18.701 19.000 -0.528 0.000 0.816 317 A HN 0.560 nan 8.150 nan 0.000 0.444 318 F N -0.322 119.751 119.950 0.204 0.000 2.449 318 F HA 0.332 4.859 4.527 -0.000 0.000 0.344 318 F C -1.747 174.126 175.800 0.122 0.000 1.180 318 F CA -2.241 55.849 58.000 0.149 0.000 1.209 318 F CB 1.159 40.236 39.000 0.129 0.000 1.440 318 F HN 0.065 nan 8.300 nan 0.000 0.526 319 P HA -0.100 nan 4.420 nan 0.000 0.226 319 P C 0.421 177.794 177.300 0.122 0.000 1.153 319 P CA 1.262 64.443 63.100 0.134 0.000 0.777 319 P CB 0.476 32.230 31.700 0.091 0.000 0.794 320 D N -0.596 119.894 120.400 0.150 0.000 2.369 320 D HA 0.163 4.803 4.640 -0.000 0.000 0.211 320 D C 0.957 177.353 176.300 0.159 0.000 1.077 320 D CA -0.005 54.072 54.000 0.129 0.000 0.842 320 D CB 0.161 41.020 40.800 0.098 0.000 0.947 320 D HN 0.093 nan 8.370 nan 0.000 0.509 321 A N 2.092 125.031 122.820 0.198 0.000 2.466 321 A HA 0.316 4.636 4.320 -0.000 0.000 0.238 321 A C -2.123 175.586 177.584 0.207 0.000 1.074 321 A CA -0.703 51.436 52.037 0.170 0.000 0.774 321 A CB -0.221 18.873 19.000 0.157 0.000 1.015 321 A HN -0.090 nan 8.150 nan 0.000 0.498 322 P HA 0.268 nan 4.420 nan 0.000 0.269 322 P C -0.153 177.141 177.300 -0.009 0.000 1.209 322 P CA 0.342 63.488 63.100 0.077 0.000 0.776 322 P CB 0.451 32.159 31.700 0.013 0.000 0.876 323 A N 2.751 125.398 122.820 -0.288 0.000 2.566 323 A HA 0.376 4.696 4.320 -0.000 0.000 0.245 323 A C 1.577 178.985 177.584 -0.293 0.000 1.056 323 A CA 0.925 52.532 52.037 -0.717 0.000 0.757 323 A CB -1.461 16.889 19.000 -1.085 0.000 0.979 323 A HN 0.897 nan 8.150 nan 0.000 0.508 324 G N 1.525 110.207 108.800 -0.197 0.000 2.217 324 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 324 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 324 G C 0.677 175.544 174.900 -0.054 0.000 0.990 324 G CA 0.818 45.855 45.100 -0.105 0.000 0.627 324 G HN 2.190 nan 8.290 nan 0.000 0.522 325 S N 0.422 116.099 115.700 -0.040 0.000 2.593 325 S HA 0.719 5.189 4.470 -0.000 0.000 0.269 325 S C 1.810 176.402 174.600 -0.013 0.000 1.334 325 S CA 0.542 58.726 58.200 -0.026 0.000 1.015 325 S CB 1.682 64.867 63.200 -0.024 0.000 0.912 325 S HN 1.741 nan 8.310 nan 0.000 0.541 326 A N 2.208 125.010 122.820 -0.029 0.000 1.892 326 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 326 A C 2.350 179.928 177.584 -0.010 0.000 1.188 326 A CA 1.606 53.629 52.037 -0.023 0.000 0.631 326 A CB -0.840 18.137 19.000 -0.038 0.000 0.822 326 A HN 0.929 nan 8.150 nan 0.000 0.447 327 R N -0.548 119.904 120.500 -0.080 0.000 2.152 327 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 327 R C 2.171 178.578 176.300 0.178 0.000 1.117 327 R CA 1.000 57.026 56.100 -0.125 0.000 0.981 327 R CB -0.436 29.565 30.300 -0.498 0.000 0.870 327 R HN 0.502 nan 8.270 nan 0.000 0.451 328 A N 1.372 124.273 122.820 0.135 0.000 2.209 328 A HA -0.084 4.236 4.320 -0.000 0.000 0.212 328 A C 1.405 179.096 177.584 0.178 0.000 1.158 328 A CA 0.881 53.039 52.037 0.201 0.000 0.742 328 A CB -0.040 19.069 19.000 0.181 0.000 0.790 328 A HN 0.205 nan 8.150 nan 0.000 0.472 329 K N -0.221 120.258 120.400 0.131 0.000 2.374 329 K HA 0.196 4.516 4.320 -0.000 0.000 0.196 329 K C -0.416 176.236 176.600 0.087 0.000 1.023 329 K CA -0.022 56.314 56.287 0.082 0.000 1.103 329 K CB 0.560 33.078 32.500 0.030 0.000 0.848 329 K HN 0.275 nan 8.250 nan 0.000 0.528 330 V N 3.107 123.134 119.914 0.188 0.000 2.461 330 V HA 0.249 4.369 4.120 -0.000 0.000 0.275 330 V C -0.064 176.119 176.094 0.148 0.000 1.047 330 V CA -0.326 62.096 62.300 0.204 0.000 0.955 330 V CB 0.660 32.736 31.823 0.421 0.000 0.988 330 V HN 0.127 nan 8.190 nan 0.000 0.471 331 L N 5.934 127.222 121.223 0.108 0.000 2.408 331 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 331 L C -0.821 176.217 176.870 0.279 0.000 0.986 331 L CA -0.597 54.350 54.840 0.178 0.000 0.820 331 L CB 2.202 44.379 42.059 0.197 0.000 1.303 331 L HN 0.434 nan 8.230 nan 0.000 0.411 332 L N 2.486 123.853 121.223 0.240 0.000 2.329 332 L HA 0.560 4.900 4.340 -0.000 0.000 0.279 332 L C -1.018 176.052 176.870 0.333 0.000 1.014 332 L CA -0.406 54.587 54.840 0.254 0.000 0.814 332 L CB 1.949 44.033 42.059 0.042 0.000 1.257 332 L HN 0.362 nan 8.230 nan 0.000 0.424 333 F N 2.159 122.173 119.950 0.107 0.000 2.529 333 F HA 0.639 5.165 4.527 -0.000 0.000 0.320 333 F C -0.243 175.526 175.800 -0.053 0.000 1.118 333 F CA -0.486 57.471 58.000 -0.072 0.000 0.915 333 F CB 1.966 40.651 39.000 -0.526 0.000 1.161 333 F HN 0.448 nan 8.300 nan 0.000 0.445 334 S N 6.163 121.438 115.700 -0.709 0.000 2.500 334 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 334 S C -1.287 172.850 174.600 -0.772 0.000 1.092 334 S CA -0.561 57.344 58.200 -0.491 0.000 1.030 334 S CB 1.890 64.971 63.200 -0.199 0.000 1.031 334 S HN 0.995 nan 8.310 nan 0.000 0.483 335 N N 0.630 119.064 118.700 -0.442 0.000 3.185 335 N HA 0.292 5.032 4.740 -0.000 0.000 0.238 335 N C -1.180 174.247 175.510 -0.138 0.000 1.451 335 N CA -0.445 52.428 53.050 -0.294 0.000 0.888 335 N CB 1.042 39.317 38.487 -0.353 0.000 1.413 335 N HN 0.962 nan 8.380 nan 0.000 0.511 336 A N 0.433 123.196 122.820 -0.095 0.000 2.507 336 A HA 0.477 4.797 4.320 -0.000 0.000 0.281 336 A C 1.129 178.661 177.584 -0.088 0.000 1.154 336 A CA 0.370 52.347 52.037 -0.099 0.000 0.828 336 A CB -1.215 17.751 19.000 -0.056 0.000 1.069 336 A HN 0.994 nan 8.150 nan 0.000 0.522 337 A N 3.161 125.915 122.820 -0.110 0.000 2.604 337 A HA 0.442 4.762 4.320 -0.000 0.000 0.248 337 A C 0.860 178.389 177.584 -0.091 0.000 1.466 337 A CA 0.691 52.678 52.037 -0.083 0.000 1.222 337 A CB -0.604 18.344 19.000 -0.088 0.000 0.945 337 A HN 1.051 nan 8.150 nan 0.000 0.600 338 S N -1.055 114.589 115.700 -0.094 0.000 2.538 338 S HA 0.327 4.797 4.470 -0.000 0.000 0.288 338 S C 0.721 175.251 174.600 -0.116 0.000 1.108 338 S CA -0.591 57.550 58.200 -0.099 0.000 0.971 338 S CB 1.086 64.231 63.200 -0.091 0.000 1.041 338 S HN 0.504 nan 8.310 nan 0.000 0.483 339 Q N 1.946 121.657 119.800 -0.150 0.000 2.364 339 Q HA -0.039 4.301 4.340 -0.000 0.000 0.207 339 Q C 1.446 177.361 176.000 -0.142 0.000 0.970 339 Q CA 1.660 57.343 55.803 -0.200 0.000 0.888 339 Q CB -0.044 28.536 28.738 -0.263 0.000 0.951 339 Q HN 0.931 nan 8.270 nan 0.000 0.469 340 T N -3.703 110.788 114.554 -0.105 0.000 2.989 340 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 340 T C 0.926 175.590 174.700 -0.060 0.000 0.981 340 T CA 0.204 62.256 62.100 -0.080 0.000 0.980 340 T CB 0.403 69.225 68.868 -0.075 0.000 1.133 340 T HN 0.145 nan 8.240 nan 0.000 0.489 341 S N 0.472 116.136 115.700 -0.060 0.000 2.599 341 S HA 0.636 5.106 4.470 -0.000 0.000 0.294 341 S C -0.662 173.913 174.600 -0.042 0.000 1.094 341 S CA -1.118 57.054 58.200 -0.046 0.000 0.931 341 S CB 1.867 65.040 63.200 -0.045 0.000 1.093 341 S HN 0.271 nan 8.310 nan 0.000 0.488 342 R N 1.916 122.402 120.500 -0.022 0.000 3.247 342 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 342 R C -0.128 176.155 176.300 -0.029 0.000 1.604 342 R CA 0.083 56.178 56.100 -0.008 0.000 1.279 342 R CB -0.486 29.831 30.300 0.029 0.000 1.277 342 R HN 0.852 nan 8.270 nan 0.000 0.669 343 S N -0.629 115.031 115.700 -0.067 0.000 2.655 343 S HA 0.136 4.606 4.470 -0.000 0.000 0.266 343 S C -1.069 173.435 174.600 -0.159 0.000 1.149 343 S CA -1.354 56.784 58.200 -0.103 0.000 0.818 343 S CB 1.124 64.277 63.200 -0.079 0.000 1.130 343 S HN 0.517 nan 8.310 nan 0.000 0.476 344 Q N -0.303 119.375 119.800 -0.202 0.000 2.443 344 Q HA -0.112 4.228 4.340 -0.000 0.000 0.337 344 Q C 0.520 176.307 176.000 -0.355 0.000 1.401 344 Q CA 0.565 56.219 55.803 -0.249 0.000 0.943 344 Q CB -2.522 26.116 28.738 -0.167 0.000 1.177 344 Q HN 1.243 nan 8.270 nan 0.000 0.394 345 G N 1.120 109.556 108.800 -0.606 0.000 2.305 345 G HA2 0.284 4.244 3.960 -0.000 0.000 0.243 345 G HA3 0.284 4.244 3.960 -0.000 0.000 0.243 345 G C -0.142 174.267 174.900 -0.818 0.000 1.288 345 G CA 0.310 44.845 45.100 -0.942 0.000 0.901 345 G HN 0.195 nan 8.290 nan 0.000 0.516 346 T N 3.042 117.424 114.554 -0.287 0.000 2.886 346 T HA 0.412 4.762 4.350 -0.000 0.000 0.292 346 T C -0.131 174.615 174.700 0.076 0.000 1.012 346 T CA -0.485 61.577 62.100 -0.064 0.000 0.982 346 T CB 1.386 70.207 68.868 -0.079 0.000 1.018 346 T HN 0.297 nan 8.240 nan 0.000 0.451 347 I N 3.376 124.020 120.570 0.122 0.000 2.353 347 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 347 I C 0.520 176.681 176.117 0.073 0.000 0.992 347 I CA -0.604 60.737 61.300 0.070 0.000 1.268 347 I CB 1.112 39.111 38.000 -0.000 0.000 1.387 347 I HN 0.474 nan 8.210 nan 0.000 0.478 348 R N 5.712 126.286 120.500 0.124 0.000 2.589 348 R HA 0.673 5.013 4.340 -0.000 0.000 0.293 348 R C -0.600 175.917 176.300 0.362 0.000 0.963 348 R CA -0.819 55.402 56.100 0.202 0.000 0.905 348 R CB 2.665 33.026 30.300 0.102 0.000 1.144 348 R HN 0.553 nan 8.270 nan 0.000 0.459 349 M N 1.636 121.460 119.600 0.373 0.000 2.227 349 M HA 0.277 4.757 4.480 -0.000 0.000 0.335 349 M C -0.916 175.588 176.300 0.341 0.000 1.053 349 M CA -0.244 55.267 55.300 0.351 0.000 0.973 349 M CB 1.898 34.614 32.600 0.194 0.000 1.623 349 M HN 0.552 nan 8.290 nan 0.000 0.434 350 S N 2.928 118.719 115.700 0.151 0.000 2.509 350 S HA 0.528 4.998 4.470 -0.000 0.000 0.297 350 S C -0.072 174.457 174.600 -0.118 0.000 1.118 350 S CA -0.805 57.223 58.200 -0.286 0.000 1.074 350 S CB 0.854 63.365 63.200 -1.148 0.000 1.038 350 S HN 0.938 nan 8.310 nan 0.000 0.498 351 c N 2.485 121.027 118.600 -0.095 0.000 3.255 351 c HA 0.392 4.962 4.570 -0.000 0.000 0.282 351 c C 0.074 174.134 174.090 -0.050 0.000 1.441 351 c CA -0.714 55.608 56.329 -0.012 0.000 1.785 351 c CB -1.531 41.005 42.510 0.043 0.000 2.583 351 c HN 0.887 nan 8.230 nan 0.000 0.615 352 D N -1.005 119.315 120.400 -0.133 0.000 2.938 352 D HA 0.153 4.793 4.640 -0.000 0.000 0.369 352 D C -0.067 176.136 176.300 -0.162 0.000 1.301 352 D CA -0.334 53.593 54.000 -0.123 0.000 0.805 352 D CB -0.608 40.123 40.800 -0.114 0.000 1.161 352 D HN -0.003 nan 8.370 nan 0.000 0.474 353 D N 0.398 120.719 120.400 -0.132 0.000 2.955 353 D HA -0.176 4.464 4.640 -0.000 0.000 0.226 353 D C 1.320 177.497 176.300 -0.205 0.000 1.178 353 D CA 1.849 55.785 54.000 -0.108 0.000 0.808 353 D CB -1.268 39.507 40.800 -0.042 0.000 1.099 353 D HN 0.839 nan 8.370 nan 0.000 0.421 354 G N -0.656 107.868 108.800 -0.459 0.000 2.141 354 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.242 354 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.242 354 G C 0.902 175.465 174.900 -0.562 0.000 0.982 354 G CA 0.827 45.458 45.100 -0.782 0.000 0.662 354 G HN 0.479 nan 8.290 nan 0.000 0.527 355 Q N -0.041 119.534 119.800 -0.375 0.000 1.967 355 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 355 Q C 1.833 177.669 176.000 -0.273 0.000 0.985 355 Q CA 1.878 57.543 55.803 -0.231 0.000 0.839 355 Q CB -0.134 28.511 28.738 -0.155 0.000 0.906 355 Q HN 0.811 nan 8.270 nan 0.000 0.423 356 T N -3.352 110.994 114.554 -0.347 0.000 2.925 356 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 356 T C -1.118 173.338 174.700 -0.408 0.000 1.021 356 T CA -0.760 61.189 62.100 -0.252 0.000 1.042 356 T CB 0.848 69.629 68.868 -0.145 0.000 1.037 356 T HN 0.259 nan 8.240 nan 0.000 0.481 357 W N 2.535 123.806 121.300 -0.048 0.000 2.148 357 W HA 0.346 5.006 4.660 -0.000 0.000 0.288 357 W C -1.767 174.736 176.519 -0.027 0.000 0.920 357 W CA -2.061 55.267 57.345 -0.028 0.000 1.904 357 W CB 1.053 30.492 29.460 -0.035 0.000 2.083 357 W HN 0.622 nan 8.180 nan 0.000 0.398 358 P HA -0.114 nan 4.420 nan 0.000 0.218 358 P C 0.353 177.707 177.300 0.089 0.000 1.148 358 P CA 1.299 64.435 63.100 0.060 0.000 0.822 358 P CB 0.668 32.397 31.700 0.048 0.000 0.784 359 V N 0.514 120.503 119.914 0.124 0.000 2.459 359 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 359 V C 0.279 176.427 176.094 0.090 0.000 1.029 359 V CA -0.444 61.910 62.300 0.090 0.000 0.874 359 V CB 1.476 33.349 31.823 0.084 0.000 0.985 359 V HN 0.260 nan 8.190 nan 0.000 0.438 360 S N 3.852 119.564 115.700 0.019 0.000 2.541 360 S HA 0.839 5.309 4.470 -0.000 0.000 0.271 360 S C -1.224 173.316 174.600 -0.101 0.000 1.133 360 S CA -0.888 57.306 58.200 -0.010 0.000 0.876 360 S CB 2.390 65.594 63.200 0.006 0.000 1.105 360 S HN 0.752 nan 8.310 nan 0.000 0.470 361 K N 1.806 122.129 120.400 -0.129 0.000 2.543 361 K HA 0.519 4.839 4.320 -0.000 0.000 0.255 361 K C -1.582 174.985 176.600 -0.054 0.000 0.934 361 K CA -0.753 55.397 56.287 -0.228 0.000 0.810 361 K CB 2.164 34.269 32.500 -0.659 0.000 1.315 361 K HN 0.640 nan 8.250 nan 0.000 0.433 362 V N 6.067 125.948 119.914 -0.055 0.000 2.521 362 V HA 0.065 4.185 4.120 -0.000 0.000 0.286 362 V C 0.835 176.978 176.094 0.082 0.000 1.034 362 V CA 0.201 62.464 62.300 -0.062 0.000 1.045 362 V CB 0.112 31.858 31.823 -0.129 0.000 0.974 362 V HN 0.789 nan 8.190 nan 0.000 0.480 363 F N 2.214 122.125 119.950 -0.064 0.000 2.582 363 F HA 0.433 4.960 4.527 0.000 0.000 0.290 363 F C 0.736 176.321 175.800 -0.358 0.000 1.115 363 F CA -0.081 57.727 58.000 -0.321 0.000 1.445 363 F CB 0.249 38.987 39.000 -0.436 0.000 1.126 363 F HN 0.455 nan 8.300 nan 0.000 0.574 364 Q N 1.269 120.602 119.800 -0.778 0.000 2.294 364 Q HA 0.421 4.761 4.340 -0.000 0.000 0.264 364 Q C -2.404 173.370 176.000 -0.376 0.000 0.992 364 Q CA -2.711 52.807 55.803 -0.476 0.000 0.747 364 Q CB 2.004 30.454 28.738 -0.479 0.000 1.262 364 Q HN -0.120 nan 8.270 nan 0.000 0.452 365 P HA -0.080 nan 4.420 nan 0.000 0.213 365 P C 0.385 177.611 177.300 -0.124 0.000 1.170 365 P CA 1.611 64.622 63.100 -0.148 0.000 0.898 365 P CB 0.132 31.776 31.700 -0.093 0.000 0.787 366 G N -0.727 108.024 108.800 -0.082 0.000 2.481 366 G HA2 0.129 4.089 3.960 -0.000 0.000 0.251 366 G HA3 0.129 4.089 3.960 -0.000 0.000 0.251 366 G C -0.219 174.655 174.900 -0.044 0.000 1.492 366 G CA -0.072 44.998 45.100 -0.050 0.000 1.060 366 G HN 0.266 nan 8.290 nan 0.000 0.553 367 S N -0.327 115.368 115.700 -0.008 0.000 2.537 367 S HA 0.388 4.858 4.470 -0.000 0.000 0.286 367 S C -0.047 174.588 174.600 0.059 0.000 1.299 367 S CA 0.052 58.257 58.200 0.009 0.000 1.067 367 S CB 0.055 63.261 63.200 0.011 0.000 0.864 367 S HN 0.446 nan 8.310 nan 0.000 0.494 368 M N 5.067 124.699 119.600 0.053 0.000 2.215 368 M HA 0.288 4.768 4.480 -0.000 0.000 0.251 368 M C -0.372 176.003 176.300 0.125 0.000 0.987 368 M CA -0.228 55.151 55.300 0.133 0.000 1.025 368 M CB 1.085 33.667 32.600 -0.030 0.000 2.064 368 M HN 0.767 nan 8.290 nan 0.000 0.473 369 S N 3.414 119.226 115.700 0.186 0.000 2.720 369 S HA 0.392 4.862 4.470 -0.000 0.000 0.161 369 S C -0.065 174.746 174.600 0.352 0.000 0.936 369 S CA 0.063 58.396 58.200 0.221 0.000 1.419 369 S CB -0.061 63.228 63.200 0.147 0.000 0.608 369 S HN 0.661 nan 8.310 nan 0.000 0.465 370 Y N 2.426 122.775 120.300 0.081 0.000 2.377 370 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 370 Y C 0.640 176.619 175.900 0.131 0.000 1.108 370 Y CA -0.685 57.461 58.100 0.077 0.000 1.308 370 Y CB 0.613 39.107 38.460 0.058 0.000 1.216 370 Y HN 0.354 nan 8.280 nan 0.000 0.518 371 S N 1.842 117.658 115.700 0.193 0.000 2.536 371 S HA 0.647 5.117 4.470 -0.000 0.000 0.287 371 S C -0.764 173.875 174.600 0.064 0.000 1.101 371 S CA -0.821 57.478 58.200 0.164 0.000 0.950 371 S CB 2.238 65.521 63.200 0.138 0.000 1.056 371 S HN 0.565 nan 8.310 nan 0.000 0.481 372 T N 2.220 116.821 114.554 0.079 0.000 2.933 372 T HA 0.600 4.950 4.350 -0.000 0.000 0.305 372 T C -1.291 173.447 174.700 0.064 0.000 1.092 372 T CA -0.628 61.509 62.100 0.062 0.000 1.008 372 T CB 0.686 69.617 68.868 0.105 0.000 1.102 372 T HN 0.675 nan 8.240 nan 0.000 0.469 373 L N 2.651 123.910 121.223 0.061 0.000 2.334 373 L HA 0.788 5.128 4.340 -0.000 0.000 0.272 373 L C 0.255 177.192 176.870 0.111 0.000 1.020 373 L CA -0.711 54.178 54.840 0.081 0.000 0.812 373 L CB 2.184 44.294 42.059 0.085 0.000 1.264 373 L HN 0.580 nan 8.230 nan 0.000 0.439 374 T N 1.191 115.815 114.554 0.116 0.000 2.993 374 T HA 0.594 4.944 4.350 -0.000 0.000 0.312 374 T C -0.851 173.908 174.700 0.097 0.000 1.115 374 T CA -0.480 61.690 62.100 0.117 0.000 1.027 374 T CB 1.426 70.363 68.868 0.116 0.000 1.116 374 T HN 0.652 nan 8.240 nan 0.000 0.464 375 A N 5.125 127.996 122.820 0.085 0.000 2.491 375 A HA 0.561 4.881 4.320 -0.000 0.000 0.261 375 A C 0.144 177.633 177.584 -0.157 0.000 1.101 375 A CA -0.095 51.915 52.037 -0.044 0.000 0.772 375 A CB -0.296 18.710 19.000 0.009 0.000 1.043 375 A HN 0.813 nan 8.150 nan 0.000 0.501 376 L N 4.336 125.363 121.223 -0.327 0.000 2.350 376 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 376 L C -1.333 175.413 176.870 -0.207 0.000 1.099 376 L CA -1.810 52.893 54.840 -0.228 0.000 0.808 376 L CB 1.271 43.204 42.059 -0.211 0.000 1.149 376 L HN 0.506 nan 8.230 nan 0.000 0.442 377 P HA -0.176 nan 4.420 nan 0.000 0.219 377 P C 0.733 177.977 177.300 -0.093 0.000 1.146 377 P CA 0.993 64.036 63.100 -0.094 0.000 0.808 377 P CB 0.018 31.673 31.700 -0.076 0.000 0.779 378 D N -1.579 118.753 120.400 -0.113 0.000 2.363 378 D HA 0.007 4.647 4.640 -0.000 0.000 0.220 378 D C 1.468 177.702 176.300 -0.110 0.000 0.994 378 D CA 0.965 54.908 54.000 -0.094 0.000 0.890 378 D CB -0.945 39.805 40.800 -0.083 0.000 0.906 378 D HN 0.252 nan 8.370 nan 0.000 0.530 379 G N -0.180 108.509 108.800 -0.185 0.000 2.175 379 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 379 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 379 G C 0.522 175.176 174.900 -0.410 0.000 0.982 379 G CA 0.672 45.641 45.100 -0.220 0.000 0.641 379 G HN 0.817 nan 8.290 nan 0.000 0.527 380 T N -2.135 112.157 114.554 -0.436 0.000 2.893 380 T HA 0.748 5.098 4.350 -0.000 0.000 0.279 380 T C -0.315 173.891 174.700 -0.825 0.000 0.991 380 T CA -0.741 61.087 62.100 -0.452 0.000 0.950 380 T CB 1.891 70.649 68.868 -0.183 0.000 1.223 380 T HN 0.485 nan 8.240 nan 0.000 0.585 381 Y N -1.245 118.776 120.300 -0.464 0.000 2.442 381 Y HA 0.605 5.155 4.550 0.000 0.000 0.344 381 Y C 0.676 176.253 175.900 -0.537 0.000 0.976 381 Y CA -1.078 56.670 58.100 -0.587 0.000 1.040 381 Y CB 2.217 40.102 38.460 -0.958 0.000 1.228 381 Y HN 1.079 nan 8.280 nan 0.000 0.451 382 G N 2.442 111.166 108.800 -0.126 0.000 2.338 382 G HA2 0.494 4.454 3.960 -0.000 0.000 0.298 382 G HA3 0.494 4.454 3.960 -0.000 0.000 0.298 382 G C -1.706 173.149 174.900 -0.075 0.000 1.140 382 G CA -0.366 44.699 45.100 -0.058 0.000 0.860 382 G HN 0.449 nan 8.290 nan 0.000 0.470 383 L N 3.293 124.382 121.223 -0.222 0.000 2.377 383 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 383 L C -1.090 175.731 176.870 -0.081 0.000 0.991 383 L CA -0.986 53.771 54.840 -0.138 0.000 0.851 383 L CB 1.603 43.519 42.059 -0.239 0.000 1.218 383 L HN 0.366 nan 8.230 nan 0.000 0.420 384 L N 7.066 128.338 121.223 0.081 0.000 2.262 384 L HA 0.560 4.900 4.340 -0.000 0.000 0.288 384 L C -0.765 176.229 176.870 0.206 0.000 1.035 384 L CA -0.146 54.782 54.840 0.147 0.000 0.820 384 L CB 0.476 42.647 42.059 0.186 0.000 1.204 384 L HN 0.660 nan 8.230 nan 0.000 0.424 385 Y N 1.367 121.663 120.300 -0.006 0.000 2.857 385 Y HA 0.739 5.289 4.550 -0.000 0.000 0.318 385 Y C -0.843 175.086 175.900 0.048 0.000 1.313 385 Y CA -1.221 56.915 58.100 0.061 0.000 1.117 385 Y CB 1.164 39.708 38.460 0.139 0.000 1.344 385 Y HN 0.410 nan 8.280 nan 0.000 0.525 386 E N 1.944 122.221 120.200 0.128 0.000 2.183 386 E HA 0.237 4.587 4.350 -0.000 0.000 0.250 386 E C -2.304 174.300 176.600 0.007 0.000 0.901 386 E CA -2.131 54.251 56.400 -0.030 0.000 0.741 386 E CB 1.672 31.388 29.700 0.027 0.000 1.182 386 E HN 0.463 nan 8.360 nan 0.000 0.425 387 P HA 0.025 nan 4.420 nan 0.000 0.231 387 P C 0.888 178.173 177.300 -0.024 0.000 1.168 387 P CA 0.827 63.894 63.100 -0.056 0.000 0.779 387 P CB 0.634 32.221 31.700 -0.188 0.000 0.844 388 G N -1.034 107.734 108.800 -0.054 0.000 2.380 388 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.197 388 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.197 388 G C 0.908 175.781 174.900 -0.044 0.000 1.001 388 G CA 0.441 45.519 45.100 -0.037 0.000 0.668 388 G HN 0.412 nan 8.290 nan 0.000 0.483 389 T N -1.116 113.400 114.554 -0.062 0.000 3.086 389 T HA 0.569 4.919 4.350 -0.000 0.000 0.250 389 T C 1.667 176.330 174.700 -0.062 0.000 1.074 389 T CA 1.575 63.644 62.100 -0.052 0.000 0.988 389 T CB 0.963 69.796 68.868 -0.058 0.000 0.988 389 T HN 2.153 nan 8.240 nan 0.000 0.530 390 G N 1.632 110.375 108.800 -0.096 0.000 1.930 390 G HA2 0.127 4.087 3.960 -0.000 0.000 0.054 390 G HA3 0.127 4.087 3.960 -0.000 0.000 0.054 390 G C -1.596 173.164 174.900 -0.234 0.000 0.902 390 G CA -0.460 44.572 45.100 -0.114 0.000 1.168 390 G HN 0.344 nan 8.290 nan 0.000 0.383 391 I N 1.621 121.961 120.570 -0.384 0.000 2.447 391 I HA 0.590 4.760 4.170 -0.000 0.000 0.287 391 I C 0.054 175.906 176.117 -0.441 0.000 1.023 391 I CA -0.425 60.600 61.300 -0.458 0.000 1.083 391 I CB 1.535 39.085 38.000 -0.750 0.000 1.245 391 I HN 0.627 nan 8.210 nan 0.000 0.434 392 R N 4.914 125.157 120.500 -0.428 0.000 2.664 392 R HA 0.480 4.820 4.340 -0.000 0.000 0.286 392 R C -1.766 174.398 176.300 -0.226 0.000 0.967 392 R CA -0.573 55.294 56.100 -0.389 0.000 0.933 392 R CB 2.018 31.957 30.300 -0.602 0.000 1.146 392 R HN 0.510 nan 8.270 nan 0.000 0.468 393 Y N 2.527 122.677 120.300 -0.250 0.000 2.328 393 Y HA 0.648 5.198 4.550 0.000 0.000 0.336 393 Y C -1.401 174.468 175.900 -0.052 0.000 0.960 393 Y CA -0.548 57.461 58.100 -0.152 0.000 1.134 393 Y CB 1.628 39.930 38.460 -0.263 0.000 1.166 393 Y HN 0.751 nan 8.280 nan 0.000 0.464 394 A N 5.189 127.565 122.820 -0.740 0.000 2.350 394 A HA 0.611 4.931 4.320 -0.000 0.000 0.324 394 A C -1.445 175.579 177.584 -0.935 0.000 1.118 394 A CA -0.868 50.728 52.037 -0.735 0.000 0.783 394 A CB 1.109 19.835 19.000 -0.457 0.000 1.236 394 A HN 0.776 nan 8.150 nan 0.000 0.457 395 N N 0.488 118.745 118.700 -0.739 0.000 2.314 395 N HA 0.762 5.502 4.740 -0.000 0.000 0.294 395 N C -1.149 174.126 175.510 -0.392 0.000 1.029 395 N CA -0.449 52.316 53.050 -0.474 0.000 0.845 395 N CB 1.027 39.377 38.487 -0.229 0.000 1.321 395 N HN 0.563 nan 8.380 nan 0.000 0.481 396 F N 0.936 120.707 119.950 -0.299 0.000 2.626 396 F HA 0.656 5.183 4.527 0.000 0.000 0.311 396 F C -0.742 175.139 175.800 0.135 0.000 1.088 396 F CA -1.164 56.760 58.000 -0.127 0.000 0.949 396 F CB 0.996 39.904 39.000 -0.153 0.000 1.322 396 F HN 0.382 nan 8.300 nan 0.000 0.461 397 N N 1.857 120.788 118.700 0.385 0.000 2.525 397 N HA 0.368 5.108 4.740 -0.000 0.000 0.288 397 N C -0.001 175.831 175.510 0.537 0.000 1.242 397 N CA -0.990 52.273 53.050 0.356 0.000 0.905 397 N CB 1.326 39.954 38.487 0.235 0.000 1.258 397 N HN 0.906 nan 8.380 nan 0.000 0.551 398 L N -0.455 121.018 121.223 0.416 0.000 2.275 398 L HA -0.014 4.326 4.340 -0.000 0.000 0.215 398 L C 2.210 179.259 176.870 0.297 0.000 1.119 398 L CA 1.248 56.306 54.840 0.364 0.000 0.790 398 L CB -0.508 41.735 42.059 0.306 0.000 0.919 398 L HN 0.773 nan 8.230 nan 0.000 0.443 399 A N -0.690 122.298 122.820 0.280 0.000 2.014 399 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 399 A C 1.949 179.669 177.584 0.227 0.000 1.163 399 A CA 0.898 53.062 52.037 0.212 0.000 0.652 399 A CB -0.764 18.347 19.000 0.185 0.000 0.808 399 A HN 0.633 nan 8.150 nan 0.000 0.449 400 W N 0.342 121.756 121.300 0.191 0.000 2.355 400 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 400 W C 1.524 178.114 176.519 0.117 0.000 1.206 400 W CA 1.644 59.095 57.345 0.177 0.000 1.284 400 W CB -0.468 29.152 29.460 0.267 0.000 1.145 400 W HN 0.254 nan 8.180 nan 0.000 0.502 401 L N 1.623 122.801 121.223 -0.076 0.000 2.043 401 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 401 L C 2.115 178.769 176.870 -0.360 0.000 1.075 401 L CA 2.647 57.266 54.840 -0.368 0.000 0.752 401 L CB -1.266 40.810 42.059 0.027 0.000 0.891 401 L HN 0.410 nan 8.230 nan 0.000 0.432 402 G N -1.917 106.787 108.800 -0.160 0.000 2.171 402 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.238 402 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.238 402 G C 0.462 175.326 174.900 -0.059 0.000 1.039 402 G CA 0.158 45.186 45.100 -0.120 0.000 0.759 402 G HN 0.836 nan 8.290 nan 0.000 0.501 403 G N -1.201 107.594 108.800 -0.009 0.000 2.597 403 G HA2 0.778 4.738 3.960 -0.000 0.000 0.317 403 G HA3 0.778 4.738 3.960 -0.000 0.000 0.317 403 G C -0.611 174.321 174.900 0.053 0.000 1.230 403 G CA -0.758 44.357 45.100 0.024 0.000 0.996 403 G HN 0.944 nan 8.290 nan 0.000 0.490 404 I N -0.462 120.146 120.570 0.064 0.000 2.466 404 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 404 I C -0.423 175.743 176.117 0.081 0.000 1.026 404 I CA -0.768 60.574 61.300 0.069 0.000 1.078 404 I CB 1.512 39.547 38.000 0.057 0.000 1.249 404 I HN 0.392 nan 8.210 nan 0.000 0.429 405 c N 7.355 126.002 118.600 0.079 0.000 2.612 405 c HA 0.536 5.106 4.570 -0.000 0.000 0.403 405 c C 0.776 174.905 174.090 0.066 0.000 1.056 405 c CA 0.020 56.394 56.329 0.075 0.000 1.256 405 c CB -1.976 40.580 42.510 0.076 0.000 1.741 405 c HN 0.700 nan 8.230 nan 0.000 0.542 406 A N 5.122 127.992 122.820 0.082 0.000 3.399 406 A HA 0.423 4.743 4.320 -0.000 0.000 0.262 406 A C -2.679 175.000 177.584 0.158 0.000 1.145 406 A CA -0.599 51.495 52.037 0.095 0.000 0.916 406 A CB 0.229 19.278 19.000 0.082 0.000 1.360 406 A HN 0.513 nan 8.150 nan 0.000 0.628 407 P HA 0.430 nan 4.420 nan 0.000 0.268 407 P C -0.619 176.775 177.300 0.157 0.000 1.205 407 P CA 0.361 63.511 63.100 0.082 0.000 0.771 407 P CB 0.278 31.972 31.700 -0.011 0.000 0.858 408 F N -0.904 119.044 119.950 -0.003 0.000 2.563 408 F HA 0.717 5.244 4.527 -0.000 0.000 0.316 408 F C -0.302 175.488 175.800 -0.017 0.000 1.076 408 F CA -1.081 56.910 58.000 -0.014 0.000 0.921 408 F CB 1.421 40.410 39.000 -0.019 0.000 1.209 408 F HN 0.246 nan 8.300 nan 0.000 0.462 409 T N 1.144 115.747 114.554 0.081 0.000 2.794 409 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 409 T C -0.753 173.962 174.700 0.024 0.000 0.987 409 T CA -0.550 61.544 62.100 -0.010 0.000 0.993 409 T CB 1.257 70.122 68.868 -0.005 0.000 0.939 409 T HN 0.700 nan 8.240 nan 0.000 0.449 410 I N 4.020 124.554 120.570 -0.060 0.000 2.468 410 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 410 I C -2.527 173.484 176.117 -0.177 0.000 1.039 410 I CA -2.624 58.557 61.300 -0.198 0.000 1.074 410 I CB 2.431 40.143 38.000 -0.479 0.000 1.228 410 I HN 0.430 nan 8.210 nan 0.000 0.436 411 P HA 0.132 nan 4.420 nan 0.000 0.272 411 P C -0.962 176.424 177.300 0.143 0.000 1.230 411 P CA -0.352 62.759 63.100 0.019 0.000 0.788 411 P CB 0.501 32.209 31.700 0.013 0.000 0.949 412 D N -0.210 120.299 120.400 0.182 0.000 2.423 412 D HA 0.199 4.839 4.640 -0.000 0.000 0.238 412 D C -0.279 176.136 176.300 0.193 0.000 1.142 412 D CA 0.407 54.548 54.000 0.234 0.000 0.884 412 D CB 0.481 41.365 40.800 0.141 0.000 1.199 412 D HN -0.048 nan 8.370 nan 0.000 0.438 413 V N 0.520 120.567 119.914 0.222 0.000 2.841 413 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 413 V C -1.132 175.035 176.094 0.123 0.000 1.090 413 V CA -0.605 61.792 62.300 0.161 0.000 0.930 413 V CB 1.967 33.902 31.823 0.187 0.000 1.014 413 V HN 0.691 nan 8.190 nan 0.000 0.425 414 A N 6.587 129.455 122.820 0.080 0.000 2.350 414 A HA 1.023 5.343 4.320 -0.000 0.000 0.324 414 A C -1.026 176.578 177.584 0.033 0.000 1.118 414 A CA -0.522 51.549 52.037 0.057 0.000 0.783 414 A CB 1.265 20.291 19.000 0.043 0.000 1.236 414 A HN 1.618 nan 8.150 nan 0.000 0.457 415 L N -1.398 119.834 121.223 0.015 0.000 2.724 415 L HA 0.639 4.979 4.340 -0.000 0.000 0.258 415 L C -0.981 175.868 176.870 -0.036 0.000 0.967 415 L CA -1.102 53.727 54.840 -0.018 0.000 0.891 415 L CB 1.358 43.392 42.059 -0.042 0.000 1.456 415 L HN 0.467 nan 8.230 nan 0.000 0.416 416 E N 1.741 121.914 120.200 -0.044 0.000 2.349 416 E HA 0.405 4.755 4.350 -0.000 0.000 0.262 416 E C -2.485 174.054 176.600 -0.101 0.000 1.088 416 E CA -1.671 54.697 56.400 -0.053 0.000 0.899 416 E CB 0.738 30.417 29.700 -0.035 0.000 1.044 416 E HN 0.473 nan 8.360 nan 0.000 0.420 417 P HA 0.046 nan 4.420 nan 0.000 0.268 417 P C 0.664 177.887 177.300 -0.128 0.000 1.205 417 P CA 0.524 63.530 63.100 -0.157 0.000 0.771 417 P CB 0.707 32.335 31.700 -0.120 0.000 0.858 418 G N 1.573 110.280 108.800 -0.155 0.000 2.279 418 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.223 418 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.223 418 G C 0.051 174.884 174.900 -0.112 0.000 1.015 418 G CA -0.373 44.659 45.100 -0.114 0.000 0.621 418 G HN 0.601 nan 8.290 nan 0.000 0.506 419 Q N 0.868 120.593 119.800 -0.125 0.000 2.293 419 Q HA 0.522 4.862 4.340 -0.000 0.000 0.251 419 Q C -0.117 175.816 176.000 -0.112 0.000 0.930 419 Q CA 0.065 55.808 55.803 -0.100 0.000 0.893 419 Q CB 0.852 29.542 28.738 -0.080 0.000 1.215 419 Q HN 0.579 nan 8.270 nan 0.000 0.425 420 Q N 0.897 120.653 119.800 -0.073 0.000 2.274 420 Q HA 0.646 4.986 4.340 -0.000 0.000 0.260 420 Q C -1.224 174.756 176.000 -0.032 0.000 0.974 420 Q CA -0.592 55.177 55.803 -0.056 0.000 0.876 420 Q CB 2.493 31.208 28.738 -0.038 0.000 1.297 420 Q HN 0.329 nan 8.270 nan 0.000 0.446 421 V N 1.713 121.618 119.914 -0.015 0.000 2.777 421 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 421 V C -1.250 174.859 176.094 0.025 0.000 1.112 421 V CA -0.300 62.004 62.300 0.007 0.000 0.917 421 V CB 2.549 34.381 31.823 0.015 0.000 1.018 421 V HN 0.815 nan 8.190 nan 0.000 0.426 422 T N 5.925 120.490 114.554 0.017 0.000 2.744 422 T HA 0.517 4.867 4.350 -0.000 0.000 0.291 422 T C -0.568 174.138 174.700 0.011 0.000 0.957 422 T CA 0.017 62.127 62.100 0.015 0.000 1.002 422 T CB 1.199 70.070 68.868 0.005 0.000 0.919 422 T HN 0.906 nan 8.240 nan 0.000 0.468 423 V N 6.152 126.069 119.914 0.004 0.000 2.513 423 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 423 V C -2.746 173.314 176.094 -0.057 0.000 1.035 423 V CA -2.658 59.629 62.300 -0.022 0.000 0.889 423 V CB 1.824 33.636 31.823 -0.019 0.000 0.988 423 V HN 0.569 nan 8.190 nan 0.000 0.440 424 P HA 0.404 nan 4.420 nan 0.000 0.276 424 P C -1.145 176.116 177.300 -0.064 0.000 1.244 424 P CA -0.253 62.819 63.100 -0.048 0.000 0.801 424 P CB 1.018 32.701 31.700 -0.028 0.000 1.006 425 V N 0.679 120.565 119.914 -0.047 0.000 2.555 425 V HA 0.679 4.799 4.120 -0.000 0.000 0.302 425 V C 0.012 176.107 176.094 0.002 0.000 1.038 425 V CA -0.775 61.514 62.300 -0.019 0.000 0.887 425 V CB 1.375 33.170 31.823 -0.046 0.000 0.991 425 V HN 0.664 nan 8.190 nan 0.000 0.434 426 A N 4.440 127.287 122.820 0.045 0.000 2.323 426 A HA 0.756 5.076 4.320 -0.000 0.000 0.305 426 A C -0.707 176.933 177.584 0.094 0.000 1.275 426 A CA -0.470 51.593 52.037 0.043 0.000 0.804 426 A CB 0.992 20.009 19.000 0.029 0.000 1.152 426 A HN 0.666 nan 8.150 nan 0.000 0.487 427 V N 2.827 122.779 119.914 0.063 0.000 2.406 427 V HA 0.288 4.408 4.120 -0.000 0.000 0.272 427 V C 0.404 176.536 176.094 0.063 0.000 1.043 427 V CA -0.166 62.190 62.300 0.093 0.000 0.915 427 V CB 1.166 32.997 31.823 0.014 0.000 0.988 427 V HN 0.819 nan 8.190 nan 0.000 0.466 428 T N 4.059 118.660 114.554 0.078 0.000 3.162 428 T HA 0.117 4.467 4.350 -0.000 0.000 0.316 428 T C 0.410 175.136 174.700 0.043 0.000 1.182 428 T CA -0.278 61.849 62.100 0.044 0.000 1.015 428 T CB -0.623 68.263 68.868 0.031 0.000 1.089 428 T HN 0.587 nan 8.240 nan 0.000 0.646 429 N N 2.825 121.544 118.700 0.032 0.000 2.400 429 N HA 0.008 4.748 4.740 -0.000 0.000 0.278 429 N C 0.954 176.476 175.510 0.021 0.000 1.247 429 N CA 0.086 53.153 53.050 0.028 0.000 0.970 429 N CB 0.437 38.934 38.487 0.016 0.000 1.312 429 N HN 0.531 nan 8.380 nan 0.000 0.488 430 Q N 0.832 120.648 119.800 0.027 0.000 2.319 430 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 430 Q C 1.310 177.324 176.000 0.023 0.000 0.896 430 Q CA 0.090 55.905 55.803 0.020 0.000 0.942 430 Q CB 0.315 29.065 28.738 0.020 0.000 1.083 430 Q HN 0.731 nan 8.270 nan 0.000 0.510 431 S N -0.389 115.328 115.700 0.028 0.000 2.436 431 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 431 S C 1.663 176.274 174.600 0.018 0.000 1.014 431 S CA 0.547 58.766 58.200 0.031 0.000 0.950 431 S CB -0.189 63.034 63.200 0.037 0.000 0.784 431 S HN 0.466 nan 8.310 nan 0.000 0.504 432 G N 1.906 110.713 108.800 0.011 0.000 2.249 432 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 432 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 432 G C -0.011 174.893 174.900 0.007 0.000 1.036 432 G CA 0.745 45.848 45.100 0.005 0.000 0.824 432 G HN 1.200 nan 8.290 nan 0.000 0.504 433 I N -3.449 117.128 120.570 0.011 0.000 2.730 433 I HA 0.868 5.038 4.170 -0.000 0.000 0.298 433 I C 0.246 176.368 176.117 0.008 0.000 1.089 433 I CA -1.296 60.010 61.300 0.011 0.000 1.041 433 I CB 2.175 40.185 38.000 0.017 0.000 1.235 433 I HN 0.338 nan 8.210 nan 0.000 0.423 434 A N 4.837 127.661 122.820 0.006 0.000 2.409 434 A HA 0.625 4.945 4.320 -0.000 0.000 0.262 434 A C -0.289 177.296 177.584 0.002 0.000 1.113 434 A CA -0.292 51.746 52.037 0.002 0.000 0.790 434 A CB 0.505 19.505 19.000 0.001 0.000 1.046 434 A HN 0.614 nan 8.150 nan 0.000 0.496 435 V N 6.078 125.991 119.914 -0.002 0.000 2.419 435 V HA 0.243 4.363 4.120 -0.000 0.000 0.287 435 V C -1.520 174.569 176.094 -0.009 0.000 1.017 435 V CA -0.882 61.415 62.300 -0.004 0.000 0.844 435 V CB 1.412 33.232 31.823 -0.006 0.000 1.011 435 V HN 0.882 nan 8.190 nan 0.000 0.429 436 P HA -0.147 nan 4.420 nan 0.000 0.214 436 P C 0.307 177.599 177.300 -0.014 0.000 1.169 436 P CA 1.376 64.471 63.100 -0.009 0.000 0.908 436 P CB 0.418 32.115 31.700 -0.006 0.000 0.791 437 K N 0.172 120.563 120.400 -0.015 0.000 2.624 437 K HA 0.325 4.645 4.320 -0.000 0.000 0.200 437 K C -2.400 174.185 176.600 -0.026 0.000 1.036 437 K CA -1.514 54.762 56.287 -0.019 0.000 1.029 437 K CB 1.559 34.050 32.500 -0.015 0.000 1.317 437 K HN 0.212 nan 8.250 nan 0.000 0.555 438 P HA 0.207 nan 4.420 nan 0.000 0.282 438 P C -0.403 176.860 177.300 -0.061 0.000 1.249 438 P CA -0.269 62.800 63.100 -0.052 0.000 0.806 438 P CB 1.337 32.995 31.700 -0.070 0.000 0.984 439 S N 1.409 117.070 115.700 -0.064 0.000 2.634 439 S HA 0.641 5.111 4.470 -0.000 0.000 0.296 439 S C -0.917 173.630 174.600 -0.088 0.000 1.104 439 S CA -0.825 57.337 58.200 -0.063 0.000 0.920 439 S CB 1.299 64.478 63.200 -0.036 0.000 1.111 439 S HN 0.300 nan 8.310 nan 0.000 0.493 440 L N 1.903 123.080 121.223 -0.078 0.000 2.324 440 L HA 0.465 4.805 4.340 -0.000 0.000 0.274 440 L C -0.246 176.616 176.870 -0.015 0.000 1.012 440 L CA -0.166 54.624 54.840 -0.083 0.000 0.859 440 L CB 1.181 43.173 42.059 -0.112 0.000 1.224 440 L HN 0.891 nan 8.230 nan 0.000 0.429 441 Q N 4.027 123.832 119.800 0.010 0.000 2.267 441 Q HA 0.490 4.830 4.340 -0.000 0.000 0.255 441 Q C -1.450 174.596 176.000 0.076 0.000 0.923 441 Q CA -0.467 55.358 55.803 0.037 0.000 0.925 441 Q CB 1.162 29.918 28.738 0.030 0.000 1.195 441 Q HN 0.631 nan 8.270 nan 0.000 0.417 442 L N 2.872 124.143 121.223 0.082 0.000 2.346 442 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 442 L C -0.589 176.320 176.870 0.065 0.000 1.007 442 L CA -0.575 54.334 54.840 0.115 0.000 0.818 442 L CB 1.864 44.019 42.059 0.161 0.000 1.284 442 L HN 0.563 nan 8.230 nan 0.000 0.424 443 D N 2.315 122.743 120.400 0.047 0.000 2.479 443 D HA 0.602 5.242 4.640 -0.000 0.000 0.247 443 D C -0.665 175.587 176.300 -0.080 0.000 1.119 443 D CA -0.074 53.917 54.000 -0.014 0.000 0.922 443 D CB 0.977 41.768 40.800 -0.016 0.000 1.014 443 D HN 0.584 nan 8.370 nan 0.000 0.510 444 A N 1.912 124.663 122.820 -0.116 0.000 2.309 444 A HA 0.713 5.033 4.320 -0.000 0.000 0.317 444 A C 0.283 177.628 177.584 -0.398 0.000 1.134 444 A CA -0.716 51.144 52.037 -0.295 0.000 0.866 444 A CB 1.026 19.901 19.000 -0.209 0.000 1.329 444 A HN 0.393 nan 8.150 nan 0.000 0.477 445 S N 1.374 116.596 115.700 -0.797 0.000 2.553 445 S HA 0.067 4.537 4.470 -0.000 0.000 0.293 445 S C -1.453 172.953 174.600 -0.322 0.000 1.296 445 S CA 0.031 57.832 58.200 -0.665 0.000 1.046 445 S CB 0.139 62.670 63.200 -1.115 0.000 0.810 445 S HN 0.541 nan 8.310 nan 0.000 0.505 446 P HA -0.147 nan 4.420 nan 0.000 0.216 446 P C 0.211 177.531 177.300 0.034 0.000 1.157 446 P CA 1.362 64.438 63.100 -0.039 0.000 0.880 446 P CB -0.070 31.619 31.700 -0.018 0.000 0.791 447 D N -3.581 116.880 120.400 0.101 0.000 2.491 447 D HA 0.061 4.701 4.640 -0.000 0.000 0.228 447 D C -0.339 176.158 176.300 0.328 0.000 1.183 447 D CA -0.367 53.739 54.000 0.177 0.000 0.827 447 D CB -0.733 40.146 40.800 0.131 0.000 0.989 447 D HN 0.126 nan 8.370 nan 0.000 0.494 448 W N 0.692 121.964 121.300 -0.047 0.000 2.436 448 W HA 0.525 5.184 4.660 -0.000 0.000 0.347 448 W C 0.375 176.877 176.519 -0.027 0.000 1.136 448 W CA -1.181 56.132 57.345 -0.054 0.000 1.286 448 W CB 0.550 29.964 29.460 -0.076 0.000 1.253 448 W HN -0.188 nan 8.180 nan 0.000 0.617 449 Q N 1.267 121.165 119.800 0.163 0.000 2.360 449 Q HA 0.544 4.884 4.340 -0.000 0.000 0.254 449 Q C -1.158 174.916 176.000 0.123 0.000 0.975 449 Q CA -0.085 55.780 55.803 0.102 0.000 0.912 449 Q CB 0.794 29.555 28.738 0.038 0.000 1.212 449 Q HN 0.272 nan 8.270 nan 0.000 0.452 450 V N 4.182 124.172 119.914 0.127 0.000 2.841 450 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 450 V C -0.843 175.307 176.094 0.094 0.000 1.090 450 V CA -0.919 61.464 62.300 0.139 0.000 0.930 450 V CB 1.887 33.816 31.823 0.177 0.000 1.014 450 V HN 0.792 nan 8.190 nan 0.000 0.425 451 Q N 2.176 122.028 119.800 0.086 0.000 2.386 451 Q HA 0.687 5.027 4.340 -0.000 0.000 0.274 451 Q C -0.848 175.181 176.000 0.048 0.000 1.011 451 Q CA -0.652 55.185 55.803 0.057 0.000 0.867 451 Q CB 2.513 31.272 28.738 0.036 0.000 1.409 451 Q HN 0.922 nan 8.270 nan 0.000 0.395 452 G N 0.198 109.015 108.800 0.029 0.000 2.498 452 G HA2 0.646 4.606 3.960 -0.000 0.000 0.312 452 G HA3 0.646 4.606 3.960 -0.000 0.000 0.312 452 G C -1.348 173.538 174.900 -0.024 0.000 1.230 452 G CA -0.456 44.645 45.100 0.002 0.000 0.968 452 G HN 0.639 nan 8.290 nan 0.000 0.481 453 S N -1.000 114.672 115.700 -0.047 0.000 2.537 453 S HA 0.683 5.153 4.470 -0.000 0.000 0.270 453 S C -1.787 172.766 174.600 -0.079 0.000 1.142 453 S CA -0.573 57.596 58.200 -0.052 0.000 0.870 453 S CB 1.945 65.125 63.200 -0.033 0.000 1.112 453 S HN 1.602 nan 8.310 nan 0.000 0.466 454 V N 3.587 123.452 119.914 -0.081 0.000 2.817 454 V HA 0.516 4.636 4.120 -0.000 0.000 0.303 454 V C -0.666 175.387 176.094 -0.068 0.000 1.151 454 V CA -0.555 61.687 62.300 -0.096 0.000 0.929 454 V CB 1.869 33.598 31.823 -0.156 0.000 1.030 454 V HN 1.042 nan 8.190 nan 0.000 0.427 455 E N 5.462 125.629 120.200 -0.056 0.000 2.442 455 E HA 0.189 4.539 4.350 -0.000 0.000 0.260 455 E C -2.348 174.228 176.600 -0.040 0.000 1.148 455 E CA -1.122 55.254 56.400 -0.040 0.000 0.976 455 E CB 0.202 29.883 29.700 -0.032 0.000 0.967 455 E HN 0.548 nan 8.360 nan 0.000 0.454 456 P HA -0.047 nan 4.420 nan 0.000 0.266 456 P C -0.462 176.823 177.300 -0.026 0.000 1.193 456 P CA 0.536 63.620 63.100 -0.026 0.000 0.770 456 P CB 0.355 32.044 31.700 -0.019 0.000 0.836 457 L N 3.531 124.740 121.223 -0.024 0.000 2.260 457 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 457 L C 0.262 177.127 176.870 -0.010 0.000 1.057 457 L CA -0.210 54.618 54.840 -0.019 0.000 0.811 457 L CB 0.282 42.329 42.059 -0.019 0.000 1.184 457 L HN 0.258 nan 8.230 nan 0.000 0.429 458 M N 5.746 125.342 119.600 -0.008 0.000 2.364 458 M HA 0.453 4.933 4.480 -0.000 0.000 0.334 458 M C -2.343 173.956 176.300 -0.002 0.000 1.107 458 M CA -2.719 52.578 55.300 -0.005 0.000 0.988 458 M CB 1.914 34.510 32.600 -0.006 0.000 1.673 458 M HN 0.165 nan 8.290 nan 0.000 0.441 459 P HA 0.122 nan 4.420 nan 0.000 0.265 459 P C 0.829 178.128 177.300 -0.001 0.000 1.193 459 P CA 0.818 63.918 63.100 0.001 0.000 0.765 459 P CB 0.496 32.196 31.700 -0.000 0.000 0.823 460 G N 2.295 111.095 108.800 -0.001 0.000 2.302 460 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.263 460 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.263 460 G C 0.310 175.209 174.900 -0.002 0.000 0.995 460 G CA 0.040 45.138 45.100 -0.003 0.000 0.622 460 G HN 0.613 nan 8.290 nan 0.000 0.538 461 R N 0.393 120.892 120.500 -0.002 0.000 2.778 461 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 461 R C 0.281 176.581 176.300 -0.000 0.000 0.977 461 R CA -0.706 55.393 56.100 -0.002 0.000 0.950 461 R CB 0.883 31.181 30.300 -0.004 0.000 1.165 461 R HN 0.474 nan 8.270 nan 0.000 0.474 462 Q N 0.425 120.226 119.800 0.000 0.000 2.354 462 Q HA 0.469 4.809 4.340 -0.000 0.000 0.244 462 Q C -0.422 175.577 176.000 -0.003 0.000 0.969 462 Q CA -0.203 55.602 55.803 0.003 0.000 0.885 462 Q CB 1.410 30.151 28.738 0.005 0.000 1.241 462 Q HN 0.619 nan 8.270 nan 0.000 0.461 463 A N 2.213 125.030 122.820 -0.005 0.000 2.311 463 A HA 0.540 4.859 4.320 -0.000 0.000 0.334 463 A C -0.711 176.862 177.584 -0.019 0.000 1.139 463 A CA -0.601 51.425 52.037 -0.017 0.000 0.830 463 A CB 1.262 20.244 19.000 -0.030 0.000 1.234 463 A HN 0.472 nan 8.150 nan 0.000 0.483 464 K N 0.151 120.536 120.400 -0.026 0.000 2.156 464 K HA 0.692 5.012 4.320 -0.000 0.000 0.254 464 K C -0.158 176.415 176.600 -0.044 0.000 0.950 464 K CA -0.037 56.234 56.287 -0.028 0.000 0.849 464 K CB 1.861 34.349 32.500 -0.021 0.000 1.100 464 K HN 1.032 nan 8.250 nan 0.000 0.434 465 G N 1.003 109.774 108.800 -0.048 0.000 2.687 465 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 465 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 465 G C -1.749 173.119 174.900 -0.053 0.000 1.420 465 G CA -0.627 44.434 45.100 -0.064 0.000 0.796 465 G HN 0.546 nan 8.290 nan 0.000 0.485 466 Q N -1.646 118.123 119.800 -0.053 0.000 2.416 466 Q HA 0.753 5.093 4.340 -0.000 0.000 0.281 466 Q C -1.893 174.084 176.000 -0.038 0.000 1.067 466 Q CA -1.036 54.742 55.803 -0.042 0.000 0.809 466 Q CB 2.785 31.507 28.738 -0.026 0.000 1.418 466 Q HN 0.489 nan 8.270 nan 0.000 0.411 467 V N 1.863 121.757 119.914 -0.032 0.000 2.447 467 V HA 0.447 4.567 4.120 -0.000 0.000 0.292 467 V C -0.857 175.262 176.094 0.042 0.000 1.021 467 V CA -0.468 61.836 62.300 0.006 0.000 0.850 467 V CB 1.884 33.694 31.823 -0.021 0.000 1.005 467 V HN 0.958 nan 8.190 nan 0.000 0.426 468 T N 6.389 120.975 114.554 0.055 0.000 2.837 468 T HA 0.751 5.101 4.350 -0.000 0.000 0.285 468 T C -0.303 174.453 174.700 0.093 0.000 0.984 468 T CA -0.179 61.955 62.100 0.057 0.000 1.049 468 T CB 1.314 70.202 68.868 0.032 0.000 0.947 468 T HN 0.377 nan 8.240 nan 0.000 0.472 469 I N 2.221 122.843 120.570 0.086 0.000 2.498 469 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 469 I C -0.082 176.025 176.117 -0.017 0.000 1.032 469 I CA -0.610 60.745 61.300 0.091 0.000 1.073 469 I CB 2.285 40.381 38.000 0.161 0.000 1.251 469 I HN 0.534 nan 8.210 nan 0.000 0.426 470 T N 5.393 119.915 114.554 -0.054 0.000 2.770 470 T HA 0.429 4.779 4.350 -0.000 0.000 0.283 470 T C -0.329 174.161 174.700 -0.349 0.000 0.988 470 T CA -0.458 61.551 62.100 -0.151 0.000 0.957 470 T CB 1.535 70.349 68.868 -0.089 0.000 0.930 470 T HN 0.141 nan 8.240 nan 0.000 0.443 471 V N 7.516 127.119 119.914 -0.519 0.000 2.350 471 V HA 0.323 4.443 4.120 -0.000 0.000 0.276 471 V C -1.840 173.977 176.094 -0.463 0.000 1.028 471 V CA -2.019 59.770 62.300 -0.850 0.000 0.860 471 V CB 0.910 32.160 31.823 -0.955 0.000 0.990 471 V HN 0.703 nan 8.190 nan 0.000 0.453 472 P HA 0.157 nan 4.420 nan 0.000 0.270 472 P C -0.241 176.968 177.300 -0.152 0.000 1.223 472 P CA -0.155 62.836 63.100 -0.182 0.000 0.785 472 P CB 0.789 32.427 31.700 -0.102 0.000 0.923 473 A N 1.296 124.058 122.820 -0.096 0.000 2.540 473 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 473 A C 1.471 179.028 177.584 -0.046 0.000 1.061 473 A CA 0.784 52.780 52.037 -0.068 0.000 0.758 473 A CB -1.466 17.506 19.000 -0.046 0.000 0.991 473 A HN 0.901 nan 8.150 nan 0.000 0.502 474 G N 1.801 110.581 108.800 -0.034 0.000 2.176 474 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 474 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 474 G C 0.432 175.339 174.900 0.011 0.000 0.979 474 G CA 0.391 45.487 45.100 -0.007 0.000 0.641 474 G HN 1.224 nan 8.290 nan 0.000 0.530 475 T N 2.426 116.973 114.554 -0.012 0.000 2.928 475 T HA 0.413 4.763 4.350 -0.000 0.000 0.305 475 T C 0.907 175.655 174.700 0.080 0.000 1.035 475 T CA 0.921 63.040 62.100 0.031 0.000 1.145 475 T CB 0.877 69.698 68.868 -0.078 0.000 0.963 475 T HN 0.302 nan 8.240 nan 0.000 0.545 476 T N 6.568 121.221 114.554 0.165 0.000 2.867 476 T HA 0.165 4.515 4.350 -0.000 0.000 0.297 476 T C -2.072 172.769 174.700 0.236 0.000 0.989 476 T CA -0.879 61.328 62.100 0.178 0.000 1.159 476 T CB 0.165 69.151 68.868 0.197 0.000 0.928 476 T HN 0.347 nan 8.240 nan 0.000 0.538 477 P HA 0.350 nan 4.420 nan 0.000 0.262 477 P C 0.227 177.634 177.300 0.178 0.000 1.182 477 P CA 0.376 63.565 63.100 0.150 0.000 0.761 477 P CB 0.435 32.173 31.700 0.064 0.000 0.795 478 G N 2.041 110.987 108.800 0.243 0.000 2.441 478 G HA2 0.380 4.340 3.960 -0.000 0.000 0.294 478 G HA3 0.380 4.340 3.960 -0.000 0.000 0.294 478 G C -1.636 173.306 174.900 0.069 0.000 1.393 478 G CA -0.945 44.176 45.100 0.035 0.000 0.796 478 G HN 0.361 nan 8.290 nan 0.000 0.494 479 R N -0.042 120.390 120.500 -0.114 0.000 2.265 479 R HA 0.430 4.770 4.340 -0.000 0.000 0.319 479 R C -1.367 174.819 176.300 -0.189 0.000 1.006 479 R CA -0.437 55.645 56.100 -0.031 0.000 0.880 479 R CB 1.282 31.553 30.300 -0.048 0.000 1.077 479 R HN 0.491 nan 8.270 nan 0.000 0.454 480 Y N 1.881 122.189 120.300 0.013 0.000 2.342 480 Y HA 0.240 4.790 4.550 -0.000 0.000 0.338 480 Y C 0.617 176.416 175.900 -0.167 0.000 0.965 480 Y CA -0.867 57.192 58.100 -0.069 0.000 1.159 480 Y CB 1.353 39.790 38.460 -0.038 0.000 1.157 480 Y HN 0.410 nan 8.280 nan 0.000 0.486 481 R N 2.967 123.409 120.500 -0.097 0.000 2.296 481 R HA 0.479 4.819 4.340 -0.000 0.000 0.323 481 R C -1.654 174.528 176.300 -0.197 0.000 1.067 481 R CA -0.178 55.838 56.100 -0.141 0.000 0.946 481 R CB 0.239 30.477 30.300 -0.104 0.000 0.991 481 R HN 0.506 nan 8.270 nan 0.000 0.448 482 V N 4.560 124.274 119.914 -0.332 0.000 2.417 482 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 482 V C 0.689 176.699 176.094 -0.141 0.000 1.024 482 V CA -0.685 61.419 62.300 -0.326 0.000 0.861 482 V CB 1.716 33.199 31.823 -0.566 0.000 0.985 482 V HN 0.966 nan 8.190 nan 0.000 0.436 483 G N 3.296 112.077 108.800 -0.032 0.000 2.370 483 G HA2 0.579 4.539 3.960 -0.000 0.000 0.272 483 G HA3 0.579 4.539 3.960 -0.000 0.000 0.272 483 G C -0.178 174.823 174.900 0.168 0.000 1.208 483 G CA 0.090 45.227 45.100 0.062 0.000 0.856 483 G HN 1.097 nan 8.290 nan 0.000 0.500 484 A N 2.364 125.336 122.820 0.255 0.000 2.331 484 A HA 0.820 5.140 4.320 -0.000 0.000 0.320 484 A C 0.123 177.925 177.584 0.363 0.000 1.138 484 A CA -0.536 51.705 52.037 0.340 0.000 0.790 484 A CB 1.551 20.850 19.000 0.500 0.000 1.206 484 A HN 0.621 nan 8.150 nan 0.000 0.470 485 T N 2.457 117.174 114.554 0.273 0.000 2.807 485 T HA 0.451 4.801 4.350 -0.000 0.000 0.279 485 T C -0.743 174.034 174.700 0.129 0.000 0.993 485 T CA -0.306 61.940 62.100 0.242 0.000 0.970 485 T CB 1.104 70.044 68.868 0.120 0.000 0.950 485 T HN 0.501 nan 8.240 nan 0.000 0.441 486 L N 4.604 125.897 121.223 0.116 0.000 2.261 486 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 486 L C 0.065 176.921 176.870 -0.022 0.000 1.059 486 L CA -0.123 54.639 54.840 -0.129 0.000 0.816 486 L CB -0.095 41.824 42.059 -0.233 0.000 1.191 486 L HN 0.484 nan 8.230 nan 0.000 0.431 487 R N 3.367 123.842 120.500 -0.043 0.000 2.265 487 R HA 0.600 4.940 4.340 -0.000 0.000 0.319 487 R C -0.241 176.043 176.300 -0.027 0.000 1.006 487 R CA -0.357 55.732 56.100 -0.019 0.000 0.880 487 R CB 1.326 31.618 30.300 -0.013 0.000 1.077 487 R HN 0.736 nan 8.270 nan 0.000 0.454 488 T N -1.625 112.922 114.554 -0.012 0.000 2.883 488 T HA 0.133 4.483 4.350 -0.000 0.000 0.301 488 T C 1.284 175.984 174.700 -0.001 0.000 1.158 488 T CA -0.492 61.601 62.100 -0.011 0.000 1.007 488 T CB 1.614 70.476 68.868 -0.011 0.000 1.186 488 T HN 0.488 nan 8.240 nan 0.000 0.499 489 S N 1.819 117.520 115.700 0.000 0.000 2.359 489 S HA -0.021 4.449 4.470 -0.000 0.000 0.223 489 S C 1.532 176.140 174.600 0.013 0.000 1.039 489 S CA 0.860 59.064 58.200 0.007 0.000 1.042 489 S CB -1.033 62.171 63.200 0.007 0.000 0.915 489 S HN 1.456 nan 8.310 nan 0.000 0.439 490 A N 1.797 124.627 122.820 0.017 0.000 3.094 490 A HA 0.648 4.968 4.320 -0.000 0.000 0.288 490 A C 0.879 178.480 177.584 0.028 0.000 1.519 490 A CA -0.082 51.971 52.037 0.026 0.000 1.227 490 A CB -1.227 17.791 19.000 0.030 0.000 1.175 490 A HN 1.630 nan 8.150 nan 0.000 0.568 491 G N 1.139 109.952 108.800 0.022 0.000 2.730 491 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.686 491 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.686 491 G C -0.942 173.971 174.900 0.021 0.000 1.343 491 G CA -0.663 44.449 45.100 0.020 0.000 0.826 491 G HN 0.768 nan 8.290 nan 0.000 0.582 492 N N -0.319 118.394 118.700 0.021 0.000 2.384 492 N HA 0.881 5.621 4.740 -0.000 0.000 0.301 492 N C 0.169 175.726 175.510 0.078 0.000 1.133 492 N CA 0.368 53.443 53.050 0.041 0.000 0.853 492 N CB 2.006 40.508 38.487 0.025 0.000 1.241 492 N HN 1.413 nan 8.380 nan 0.000 0.502 493 A N -0.030 122.877 122.820 0.146 0.000 2.454 493 A HA 0.828 5.148 4.320 -0.000 0.000 0.302 493 A C -0.836 176.949 177.584 0.335 0.000 1.079 493 A CA -0.598 51.568 52.037 0.214 0.000 0.731 493 A CB 1.018 20.185 19.000 0.277 0.000 1.299 493 A HN 0.679 nan 8.150 nan 0.000 0.413 494 S N 0.096 115.908 115.700 0.186 0.000 2.564 494 S HA 0.869 5.339 4.470 -0.000 0.000 0.274 494 S C -0.633 173.850 174.600 -0.195 0.000 1.124 494 S CA -0.292 57.988 58.200 0.133 0.000 0.869 494 S CB 1.942 65.205 63.200 0.105 0.000 1.105 494 S HN 1.346 nan 8.310 nan 0.000 0.472 495 T N 1.146 115.505 114.554 -0.324 0.000 2.896 495 T HA 0.794 5.144 4.350 -0.000 0.000 0.297 495 T C -0.741 173.935 174.700 -0.040 0.000 1.108 495 T CA -0.215 61.687 62.100 -0.329 0.000 1.004 495 T CB 1.752 70.198 68.868 -0.704 0.000 1.159 495 T HN 1.192 nan 8.240 nan 0.000 0.499 496 T N 0.888 115.455 114.554 0.021 0.000 2.918 496 T HA 0.848 5.198 4.350 -0.000 0.000 0.286 496 T C -0.696 174.152 174.700 0.246 0.000 1.026 496 T CA -0.787 61.387 62.100 0.122 0.000 1.031 496 T CB 1.033 69.924 68.868 0.039 0.000 1.046 496 T HN 0.650 nan 8.240 nan 0.000 0.479 497 F N -1.371 118.587 119.950 0.014 0.000 2.631 497 F HA 0.711 5.238 4.527 0.000 0.000 0.308 497 F C -0.815 175.020 175.800 0.058 0.000 1.097 497 F CA -1.113 56.906 58.000 0.031 0.000 0.952 497 F CB 1.217 40.245 39.000 0.046 0.000 1.307 497 F HN 0.563 nan 8.300 nan 0.000 0.450 498 T N 2.494 117.042 114.554 -0.011 0.000 2.845 498 T HA 0.549 4.899 4.350 -0.000 0.000 0.288 498 T C -0.671 174.035 174.700 0.011 0.000 0.980 498 T CA -0.526 61.540 62.100 -0.056 0.000 1.071 498 T CB 1.593 70.474 68.868 0.022 0.000 0.941 498 T HN 0.531 nan 8.240 nan 0.000 0.487 499 V N 4.057 123.993 119.914 0.037 0.000 2.350 499 V HA 0.292 4.412 4.120 -0.000 0.000 0.285 499 V C 0.350 176.593 176.094 0.249 0.000 1.014 499 V CA -0.765 61.640 62.300 0.176 0.000 0.831 499 V CB 1.468 33.457 31.823 0.278 0.000 1.000 499 V HN 0.984 nan 8.190 nan 0.000 0.433 500 T N 4.995 119.652 114.554 0.172 0.000 2.780 500 T HA 0.437 4.787 4.350 -0.000 0.000 0.294 500 T C -0.060 174.728 174.700 0.147 0.000 0.949 500 T CA -0.179 62.019 62.100 0.163 0.000 1.074 500 T CB 1.183 70.106 68.868 0.092 0.000 0.910 500 T HN 0.346 nan 8.240 nan 0.000 0.501 501 V N 3.032 123.068 119.914 0.202 0.000 2.357 501 V HA 0.566 4.686 4.120 -0.000 0.000 0.284 501 V C 1.241 177.388 176.094 0.088 0.000 1.018 501 V CA -0.578 61.792 62.300 0.115 0.000 0.841 501 V CB 0.866 32.762 31.823 0.121 0.000 0.991 501 V HN 1.164 nan 8.190 nan 0.000 0.437 502 G N 4.699 113.517 108.800 0.030 0.000 2.337 502 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.290 502 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.290 502 G C -0.047 174.861 174.900 0.013 0.000 1.003 502 G CA 0.700 45.808 45.100 0.014 0.000 0.825 502 G HN 0.575 nan 8.290 nan 0.000 0.509 503 L N -0.728 120.506 121.223 0.018 0.000 2.344 503 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 503 L C 1.172 178.021 176.870 -0.035 0.000 1.035 503 L CA -1.260 53.580 54.840 -0.001 0.000 0.807 503 L CB 1.316 43.383 42.059 0.014 0.000 1.237 503 L HN -0.031 nan 8.230 nan 0.000 0.442 504 L N 0.765 121.946 121.223 -0.070 0.000 2.453 504 L HA 0.136 4.476 4.340 -0.000 0.000 0.261 504 L C 0.123 176.940 176.870 -0.089 0.000 1.179 504 L CA -0.323 54.430 54.840 -0.144 0.000 0.813 504 L CB 0.460 42.386 42.059 -0.221 0.000 1.110 504 L HN 0.559 nan 8.230 nan 0.000 0.466 505 D N 1.075 121.417 120.400 -0.097 0.000 2.338 505 D HA 0.017 4.657 4.640 -0.000 0.000 0.255 505 D C 0.916 177.195 176.300 -0.034 0.000 1.237 505 D CA 0.237 54.212 54.000 -0.043 0.000 0.883 505 D CB 1.015 41.801 40.800 -0.023 0.000 1.087 505 D HN 0.407 nan 8.370 nan 0.000 0.485 506 Q N 2.838 122.627 119.800 -0.018 0.000 2.135 506 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 506 Q C 1.791 177.789 176.000 -0.003 0.000 0.981 506 Q CA 1.507 57.305 55.803 -0.008 0.000 0.856 506 Q CB -0.048 28.689 28.738 -0.003 0.000 0.902 506 Q HN 0.682 nan 8.270 nan 0.000 0.425 507 A N 1.194 124.014 122.820 -0.001 0.000 2.019 507 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 507 A C 1.833 179.420 177.584 0.005 0.000 1.164 507 A CA 1.131 53.169 52.037 0.003 0.000 0.644 507 A CB -0.244 18.759 19.000 0.005 0.000 0.805 507 A HN 0.232 nan 8.150 nan 0.000 0.449 508 R N -1.436 119.067 120.500 0.005 0.000 2.280 508 R HA 0.256 4.596 4.340 -0.000 0.000 0.195 508 R C 0.183 176.487 176.300 0.008 0.000 0.935 508 R CA -0.053 56.054 56.100 0.012 0.000 1.033 508 R CB -0.074 30.241 30.300 0.025 0.000 0.964 508 R HN 0.485 nan 8.270 nan 0.000 0.489 509 M N 0.575 120.177 119.600 0.003 0.000 2.227 509 M HA 0.131 4.611 4.480 -0.000 0.000 0.316 509 M C 0.215 176.521 176.300 0.010 0.000 1.144 509 M CA 0.071 55.373 55.300 0.004 0.000 1.121 509 M CB 1.638 34.242 32.600 0.006 0.000 1.440 509 M HN -0.044 nan 8.290 nan 0.000 0.473 510 S N 0.401 116.112 115.700 0.018 0.000 2.638 510 S HA 0.631 5.101 4.470 -0.000 0.000 0.274 510 S C -0.903 173.717 174.600 0.034 0.000 1.157 510 S CA -1.129 57.085 58.200 0.023 0.000 0.826 510 S CB 1.114 64.331 63.200 0.029 0.000 1.139 510 S HN 0.466 nan 8.310 nan 0.000 0.474 511 I N 1.909 122.489 120.570 0.018 0.000 2.416 511 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 511 I C 1.322 177.470 176.117 0.051 0.000 1.051 511 I CA -0.318 60.985 61.300 0.005 0.000 1.375 511 I CB 0.649 38.618 38.000 -0.052 0.000 1.407 511 I HN 1.015 nan 8.210 nan 0.000 0.516 512 A N 5.717 128.595 122.820 0.097 0.000 1.956 512 A HA 0.092 4.412 4.320 -0.000 0.000 0.212 512 A C 0.236 177.867 177.584 0.079 0.000 1.188 512 A CA 0.827 52.957 52.037 0.155 0.000 0.675 512 A CB -0.071 19.118 19.000 0.315 0.000 0.845 512 A HN 0.807 nan 8.150 nan 0.000 0.455 513 D N -3.768 116.647 120.400 0.025 0.000 2.648 513 D HA 0.488 5.128 4.640 -0.000 0.000 0.244 513 D C -1.194 175.048 176.300 -0.096 0.000 1.244 513 D CA -0.448 53.539 54.000 -0.022 0.000 0.772 513 D CB 1.540 42.332 40.800 -0.014 0.000 1.379 513 D HN 0.252 nan 8.370 nan 0.000 0.428 514 V N 0.943 120.803 119.914 -0.091 0.000 2.925 514 V HA 0.343 4.463 4.120 -0.000 0.000 0.311 514 V C 0.035 176.131 176.094 0.004 0.000 1.104 514 V CA -0.433 61.786 62.300 -0.135 0.000 0.954 514 V CB 2.014 33.692 31.823 -0.243 0.000 1.022 514 V HN 0.864 nan 8.190 nan 0.000 0.427 515 D N 2.911 123.364 120.400 0.088 0.000 2.149 515 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 515 D C 0.587 177.000 176.300 0.188 0.000 0.972 515 D CA 1.155 55.242 54.000 0.144 0.000 0.835 515 D CB 0.713 41.632 40.800 0.197 0.000 0.966 515 D HN 0.435 nan 8.370 nan 0.000 0.476 516 S N -0.728 115.145 115.700 0.287 0.000 2.548 516 S HA 0.374 4.844 4.470 -0.000 0.000 0.278 516 S C -2.085 172.757 174.600 0.403 0.000 1.150 516 S CA -0.817 57.546 58.200 0.272 0.000 0.907 516 S CB 1.595 64.949 63.200 0.257 0.000 1.108 516 S HN 0.392 nan 8.310 nan 0.000 0.459 517 E N 1.699 122.062 120.200 0.272 0.000 2.352 517 E HA 0.494 4.844 4.350 -0.000 0.000 0.280 517 E C -1.427 175.241 176.600 0.114 0.000 0.930 517 E CA -0.971 55.614 56.400 0.308 0.000 0.765 517 E CB 1.424 31.321 29.700 0.329 0.000 1.219 517 E HN 0.327 nan 8.360 nan 0.000 0.434 518 E N 1.503 121.745 120.200 0.070 0.000 2.223 518 E HA 0.176 4.526 4.350 -0.000 0.000 0.282 518 E C 0.063 176.628 176.600 -0.059 0.000 1.046 518 E CA 0.154 56.491 56.400 -0.106 0.000 0.857 518 E CB 1.088 30.641 29.700 -0.245 0.000 1.055 518 E HN 0.685 nan 8.360 nan 0.000 0.409 519 T N 0.705 115.198 114.554 -0.102 0.000 3.016 519 T HA 0.371 4.721 4.350 -0.000 0.000 0.271 519 T C 1.345 175.979 174.700 -0.111 0.000 0.968 519 T CA 0.301 62.356 62.100 -0.074 0.000 0.891 519 T CB 0.310 69.157 68.868 -0.035 0.000 1.149 519 T HN 0.260 nan 8.240 nan 0.000 0.524 520 A N 2.690 125.402 122.820 -0.180 0.000 1.832 520 A HA 0.195 4.515 4.320 -0.000 0.000 0.214 520 A C 2.408 179.880 177.584 -0.186 0.000 1.204 520 A CA 0.595 52.524 52.037 -0.179 0.000 0.606 520 A CB -0.283 18.587 19.000 -0.217 0.000 0.849 520 A HN 0.289 nan 8.150 nan 0.000 0.445 521 R N 0.139 120.458 120.500 -0.303 0.000 2.300 521 R HA 0.127 4.467 4.340 -0.000 0.000 0.199 521 R C -0.114 176.157 176.300 -0.048 0.000 0.920 521 R CA 0.900 56.867 56.100 -0.221 0.000 1.046 521 R CB -0.066 29.978 30.300 -0.426 0.000 0.984 521 R HN 0.903 nan 8.270 nan 0.000 0.493 522 E N -0.852 119.316 120.200 -0.054 0.000 2.422 522 E HA 0.079 4.429 4.350 -0.000 0.000 0.280 522 E C -1.778 174.815 176.600 -0.012 0.000 1.091 522 E CA -0.820 55.602 56.400 0.036 0.000 0.849 522 E CB 0.647 30.461 29.700 0.190 0.000 1.353 522 E HN -0.259 nan 8.360 nan 0.000 0.449 523 D N 0.472 120.847 120.400 -0.041 0.000 2.453 523 D HA 0.323 4.963 4.640 -0.000 0.000 0.223 523 D C -0.029 176.205 176.300 -0.109 0.000 1.183 523 D CA 0.040 53.994 54.000 -0.075 0.000 0.933 523 D CB 0.637 41.378 40.800 -0.099 0.000 1.038 523 D HN 0.606 nan 8.370 nan 0.000 0.513 524 G N 3.326 112.137 108.800 0.018 0.000 3.863 524 G HA2 0.047 4.007 3.960 -0.000 0.000 0.290 524 G HA3 0.047 4.007 3.960 -0.000 0.000 0.290 524 G C 0.432 175.486 174.900 0.257 0.000 1.018 524 G CA -0.529 44.664 45.100 0.155 0.000 0.824 524 G HN 0.315 nan 8.290 nan 0.000 0.507 525 R N 0.227 120.811 120.500 0.139 0.000 2.538 525 R HA 0.106 4.446 4.340 -0.000 0.000 0.273 525 R C 1.632 178.044 176.300 0.186 0.000 0.967 525 R CA 0.365 56.545 56.100 0.134 0.000 1.101 525 R CB 0.707 31.035 30.300 0.047 0.000 0.908 525 R HN 0.194 nan 8.270 nan 0.000 0.411 526 A N 2.460 125.328 122.820 0.080 0.000 1.933 526 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 526 A C 2.145 179.682 177.584 -0.079 0.000 1.175 526 A CA 1.882 53.812 52.037 -0.179 0.000 0.628 526 A CB -0.519 18.218 19.000 -0.439 0.000 0.814 526 A HN 0.859 nan 8.150 nan 0.000 0.444 527 S N 0.558 116.238 115.700 -0.033 0.000 2.442 527 S HA -0.192 4.278 4.470 -0.000 0.000 0.236 527 S C 1.501 176.107 174.600 0.011 0.000 1.007 527 S CA 1.239 59.431 58.200 -0.014 0.000 0.965 527 S CB -0.712 62.483 63.200 -0.009 0.000 0.773 527 S HN 0.555 nan 8.310 nan 0.000 0.504 528 N N 2.140 120.861 118.700 0.036 0.000 2.258 528 N HA -0.099 4.641 4.740 -0.000 0.000 0.187 528 N C 1.834 177.387 175.510 0.072 0.000 1.012 528 N CA 1.456 54.533 53.050 0.045 0.000 0.870 528 N CB -0.842 37.675 38.487 0.051 0.000 0.977 528 N HN 0.691 nan 8.380 nan 0.000 0.434 529 V N -0.424 119.545 119.914 0.091 0.000 2.913 529 V HA -0.032 4.088 4.120 -0.000 0.000 0.260 529 V C 1.345 177.465 176.094 0.043 0.000 1.098 529 V CA 1.200 63.552 62.300 0.087 0.000 1.121 529 V CB -0.763 31.123 31.823 0.105 0.000 0.714 529 V HN 0.340 nan 8.190 nan 0.000 0.487 530 I N -0.846 119.739 120.570 0.024 0.000 3.707 530 I HA 0.439 4.609 4.170 -0.000 0.000 0.330 530 I C 0.949 177.070 176.117 0.007 0.000 1.572 530 I CA 0.193 61.501 61.300 0.013 0.000 1.104 530 I CB 0.218 38.224 38.000 0.010 0.000 1.240 530 I HN 0.225 nan 8.210 nan 0.000 0.475 531 D N 0.967 121.371 120.400 0.007 0.000 2.369 531 D HA 0.166 4.806 4.640 -0.000 0.000 0.211 531 D C 1.529 177.824 176.300 -0.008 0.000 1.077 531 D CA 0.581 54.579 54.000 -0.002 0.000 0.842 531 D CB 0.560 41.356 40.800 -0.007 0.000 0.947 531 D HN 0.452 nan 8.370 nan 0.000 0.509 532 G N 0.381 109.178 108.800 -0.006 0.000 2.195 532 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 532 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 532 G C 0.023 174.913 174.900 -0.016 0.000 0.984 532 G CA -0.019 45.074 45.100 -0.012 0.000 0.633 532 G HN 0.496 nan 8.290 nan 0.000 0.525 533 N N 0.968 119.663 118.700 -0.009 0.000 2.558 533 N HA 0.502 5.242 4.740 -0.000 0.000 0.242 533 N C -1.742 173.784 175.510 0.027 0.000 0.979 533 N CA -1.920 51.126 53.050 -0.006 0.000 0.931 533 N CB 1.924 40.399 38.487 -0.020 0.000 1.122 533 N HN -0.045 nan 8.380 nan 0.000 0.508 534 P HA 0.012 nan 4.420 nan 0.000 0.231 534 P C 0.463 177.825 177.300 0.103 0.000 1.158 534 P CA 0.897 64.027 63.100 0.050 0.000 0.763 534 P CB 0.453 32.172 31.700 0.032 0.000 0.805 535 S N -2.069 113.705 115.700 0.123 0.000 2.524 535 S HA 0.035 4.505 4.470 -0.000 0.000 0.216 535 S C 1.028 175.700 174.600 0.121 0.000 0.987 535 S CA 0.333 58.627 58.200 0.158 0.000 0.909 535 S CB -0.470 62.839 63.200 0.182 0.000 0.781 535 S HN 0.293 nan 8.310 nan 0.000 0.521 536 T N 1.086 115.666 114.554 0.043 0.000 2.895 536 T HA 0.742 5.092 4.350 -0.000 0.000 0.283 536 T C -0.623 174.075 174.700 -0.004 0.000 1.014 536 T CA -0.888 61.138 62.100 -0.124 0.000 1.037 536 T CB 1.200 70.001 68.868 -0.111 0.000 1.006 536 T HN 0.173 nan 8.240 nan 0.000 0.468 537 F N -0.865 119.131 119.950 0.077 0.000 2.626 537 F HA 0.765 5.292 4.527 -0.000 0.000 0.311 537 F C -1.084 174.832 175.800 0.192 0.000 1.088 537 F CA -2.264 55.797 58.000 0.101 0.000 0.949 537 F CB 0.688 39.715 39.000 0.046 0.000 1.322 537 F HN 0.810 nan 8.300 nan 0.000 0.461 538 W N 3.399 124.856 121.300 0.263 0.000 2.218 538 W HA 0.518 5.178 4.660 -0.000 0.000 0.326 538 W C -1.330 175.409 176.519 0.367 0.000 1.276 538 W CA -0.187 57.293 57.345 0.225 0.000 1.210 538 W CB 0.365 29.902 29.460 0.130 0.000 1.143 538 W HN 0.734 nan 8.180 nan 0.000 0.563 539 H N 3.820 122.827 119.070 -0.105 0.000 2.877 539 H HA 0.225 4.781 4.556 0.000 0.000 0.347 539 H C -0.308 174.771 175.328 -0.416 0.000 1.042 539 H CA -0.182 55.689 56.048 -0.294 0.000 1.276 539 H CB 1.545 31.409 29.762 0.171 0.000 1.681 539 H HN 0.497 nan 8.280 nan 0.000 0.521 540 T N 1.020 115.329 114.554 -0.408 0.000 2.856 540 T HA 0.072 4.422 4.350 -0.000 0.000 0.306 540 T C 0.546 175.295 174.700 0.081 0.000 1.062 540 T CA -0.753 61.232 62.100 -0.192 0.000 1.083 540 T CB 1.039 69.553 68.868 -0.589 0.000 0.984 540 T HN 0.637 nan 8.240 nan 0.000 0.542 541 E N 1.689 121.928 120.200 0.066 0.000 2.502 541 E HA -0.028 4.322 4.350 -0.000 0.000 0.261 541 E C 0.358 176.931 176.600 -0.045 0.000 0.974 541 E CA -0.101 56.279 56.400 -0.032 0.000 0.936 541 E CB 0.169 29.866 29.700 -0.005 0.000 0.926 541 E HN 0.902 nan 8.360 nan 0.000 0.459 542 W N 2.931 124.032 121.300 -0.333 0.000 2.977 542 W HA 0.033 4.693 4.660 -0.000 0.000 0.236 542 W C 1.393 177.807 176.519 -0.176 0.000 1.053 542 W CA 0.436 57.494 57.345 -0.479 0.000 1.375 542 W CB -0.812 27.952 29.460 -1.160 0.000 0.814 542 W HN 0.544 nan 8.180 nan 0.000 0.713 543 S N 1.692 116.889 115.700 -0.839 0.000 2.440 543 S HA -0.038 4.432 4.470 -0.000 0.000 0.238 543 S C 0.837 175.304 174.600 -0.223 0.000 1.010 543 S CA 0.567 58.347 58.200 -0.701 0.000 0.972 543 S CB -0.475 62.171 63.200 -0.923 0.000 0.774 543 S HN 0.230 nan 8.310 nan 0.000 0.501 544 R N -0.268 120.160 120.500 -0.120 0.000 2.532 544 R HA 0.668 5.008 4.340 -0.000 0.000 0.295 544 R C 1.179 177.521 176.300 0.070 0.000 0.968 544 R CA 0.104 56.192 56.100 -0.019 0.000 0.916 544 R CB 1.212 31.497 30.300 -0.024 0.000 1.124 544 R HN 0.203 nan 8.270 nan 0.000 0.463 545 A N 1.748 124.614 122.820 0.078 0.000 1.969 545 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 545 A C 1.120 178.767 177.584 0.104 0.000 1.169 545 A CA 1.739 53.840 52.037 0.108 0.000 0.635 545 A CB -0.316 18.733 19.000 0.081 0.000 0.810 545 A HN 0.850 nan 8.150 nan 0.000 0.445 546 D N 0.060 120.506 120.400 0.077 0.000 2.324 546 D HA 0.363 5.003 4.640 -0.000 0.000 0.235 546 D C 0.622 176.975 176.300 0.088 0.000 1.095 546 D CA 0.352 54.394 54.000 0.070 0.000 0.871 546 D CB -0.696 40.132 40.800 0.047 0.000 0.906 546 D HN 0.389 nan 8.370 nan 0.000 0.522 547 A N 1.465 124.358 122.820 0.122 0.000 2.520 547 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 547 A C -1.986 175.705 177.584 0.178 0.000 1.065 547 A CA -0.855 51.277 52.037 0.159 0.000 0.764 547 A CB -0.210 18.925 19.000 0.225 0.000 1.002 547 A HN 0.168 nan 8.150 nan 0.000 0.502 548 P HA 0.315 nan 4.420 nan 0.000 0.272 548 P C 0.547 177.965 177.300 0.197 0.000 1.223 548 P CA 0.208 63.399 63.100 0.151 0.000 0.784 548 P CB 0.724 32.499 31.700 0.125 0.000 0.923 549 G N 0.285 109.120 108.800 0.058 0.000 2.574 549 G HA2 0.336 4.296 3.960 -0.000 0.000 0.248 549 G HA3 0.336 4.296 3.960 -0.000 0.000 0.248 549 G C -0.862 173.803 174.900 -0.393 0.000 1.422 549 G CA -0.603 44.496 45.100 -0.002 0.000 1.051 549 G HN 0.357 nan 8.290 nan 0.000 0.560 550 Y N 1.369 121.462 120.300 -0.344 0.000 2.379 550 Y HA 0.283 4.833 4.550 0.000 0.000 0.337 550 Y C -0.991 174.761 175.900 -0.247 0.000 1.238 550 Y CA -0.953 56.886 58.100 -0.435 0.000 1.405 550 Y CB 0.301 38.659 38.460 -0.171 0.000 1.310 550 Y HN 0.253 nan 8.280 nan 0.000 0.569 551 P HA 0.131 nan 4.420 nan 0.000 0.274 551 P C -1.029 176.092 177.300 -0.298 0.000 1.231 551 P CA 0.051 63.130 63.100 -0.034 0.000 0.790 551 P CB 0.949 32.665 31.700 0.028 0.000 0.951 552 H N 0.948 120.050 119.070 0.053 0.000 2.710 552 H HA 0.608 5.164 4.556 -0.000 0.000 0.361 552 H C 0.103 175.545 175.328 0.191 0.000 1.175 552 H CA -0.486 55.604 56.048 0.069 0.000 1.206 552 H CB 2.522 32.257 29.762 -0.045 0.000 1.750 552 H HN 0.465 nan 8.280 nan 0.000 0.553 553 R N 1.319 122.039 120.500 0.367 0.000 2.584 553 R HA 0.571 4.911 4.340 -0.000 0.000 0.276 553 R C -1.981 174.322 176.300 0.006 0.000 1.046 553 R CA -0.609 55.580 56.100 0.150 0.000 0.906 553 R CB 1.690 31.990 30.300 0.001 0.000 1.215 553 R HN 0.678 nan 8.270 nan 0.000 0.449 554 I N 2.742 123.236 120.570 -0.127 0.000 2.610 554 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 554 I C -1.598 174.423 176.117 -0.159 0.000 1.163 554 I CA -0.275 60.823 61.300 -0.335 0.000 1.044 554 I CB 2.443 39.986 38.000 -0.762 0.000 1.251 554 I HN 0.729 nan 8.210 nan 0.000 0.424 555 S N 7.690 123.317 115.700 -0.122 0.000 2.502 555 S HA 0.642 5.112 4.470 -0.000 0.000 0.304 555 S C -0.674 173.988 174.600 0.103 0.000 1.097 555 S CA -0.654 57.558 58.200 0.020 0.000 1.045 555 S CB 1.586 64.808 63.200 0.038 0.000 1.019 555 S HN 0.439 nan 8.310 nan 0.000 0.481 556 L N 2.447 123.779 121.223 0.182 0.000 2.309 556 L HA 0.524 4.864 4.340 -0.000 0.000 0.282 556 L C -0.196 176.826 176.870 0.253 0.000 1.036 556 L CA -0.891 54.047 54.840 0.164 0.000 0.806 556 L CB 0.950 43.077 42.059 0.115 0.000 1.220 556 L HN 0.509 nan 8.230 nan 0.000 0.429 557 D N 2.626 123.132 120.400 0.176 0.000 2.225 557 D HA 0.242 4.882 4.640 -0.000 0.000 0.248 557 D C 0.472 176.728 176.300 -0.073 0.000 1.096 557 D CA -0.164 53.829 54.000 -0.012 0.000 0.863 557 D CB 1.687 42.526 40.800 0.065 0.000 1.156 557 D HN 0.415 nan 8.370 nan 0.000 0.450 558 L N 2.883 124.011 121.223 -0.158 0.000 2.592 558 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 558 L C 1.790 178.661 176.870 0.002 0.000 1.127 558 L CA 0.390 55.208 54.840 -0.037 0.000 0.884 558 L CB -0.098 41.979 42.059 0.030 0.000 1.065 558 L HN 0.789 nan 8.230 nan 0.000 0.457 559 G N -0.151 108.613 108.800 -0.059 0.000 2.225 559 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 559 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 559 G C 0.451 175.334 174.900 -0.028 0.000 0.988 559 G CA -0.140 44.947 45.100 -0.022 0.000 0.625 559 G HN 0.697 nan 8.290 nan 0.000 0.527 560 G N -2.096 106.678 108.800 -0.043 0.000 2.356 560 G HA2 0.621 4.581 3.960 -0.000 0.000 0.294 560 G HA3 0.621 4.581 3.960 -0.000 0.000 0.294 560 G C -0.676 174.133 174.900 -0.152 0.000 1.423 560 G CA 0.524 45.556 45.100 -0.113 0.000 0.806 560 G HN 0.897 nan 8.290 nan 0.000 0.527 561 T N 0.640 115.061 114.554 -0.223 0.000 2.869 561 T HA 0.613 4.963 4.350 -0.000 0.000 0.295 561 T C -0.550 173.950 174.700 -0.332 0.000 0.987 561 T CA 0.335 62.331 62.100 -0.174 0.000 1.109 561 T CB 0.727 69.533 68.868 -0.104 0.000 0.932 561 T HN 0.540 nan 8.240 nan 0.000 0.518 562 H N -0.252 118.816 119.070 -0.003 0.000 2.996 562 H HA 0.341 4.897 4.556 -0.000 0.000 0.368 562 H C -0.355 174.994 175.328 0.035 0.000 1.185 562 H CA -0.746 55.310 56.048 0.013 0.000 1.160 562 H CB 1.301 31.072 29.762 0.014 0.000 1.820 562 H HN 0.490 nan 8.280 nan 0.000 0.547 563 T N 4.224 118.874 114.554 0.161 0.000 2.784 563 T HA 0.264 4.614 4.350 -0.000 0.000 0.291 563 T C 0.413 175.191 174.700 0.129 0.000 0.942 563 T CA 0.011 62.184 62.100 0.122 0.000 1.161 563 T CB -0.801 68.117 68.868 0.082 0.000 0.885 563 T HN 0.386 nan 8.240 nan 0.000 0.534 564 I N 0.270 120.933 120.570 0.154 0.000 2.797 564 I HA 0.761 4.931 4.170 -0.000 0.000 0.307 564 I C 0.413 176.577 176.117 0.078 0.000 1.033 564 I CA -0.986 60.399 61.300 0.141 0.000 1.071 564 I CB 2.481 40.620 38.000 0.231 0.000 1.255 564 I HN 0.502 nan 8.210 nan 0.000 0.445 565 S N 1.203 116.781 115.700 -0.204 0.000 2.998 565 S HA 0.674 5.144 4.470 -0.000 0.000 0.256 565 S C 0.108 174.059 174.600 -1.082 0.000 0.970 565 S CA 0.001 57.852 58.200 -0.583 0.000 1.238 565 S CB 0.172 63.228 63.200 -0.241 0.000 1.170 565 S HN 1.550 nan 8.310 nan 0.000 0.663 566 G N 0.692 108.892 108.800 -1.000 0.000 2.325 566 G HA2 0.474 4.434 3.960 -0.000 0.000 0.297 566 G HA3 0.474 4.434 3.960 -0.000 0.000 0.297 566 G C -2.661 172.215 174.900 -0.040 0.000 1.448 566 G CA -0.658 44.115 45.100 -0.544 0.000 0.838 566 G HN 0.615 nan 8.290 nan 0.000 0.579 567 L N -0.087 121.209 121.223 0.122 0.000 2.436 567 L HA 0.674 5.014 4.340 -0.000 0.000 0.268 567 L C -0.569 176.391 176.870 0.150 0.000 0.974 567 L CA -0.532 54.421 54.840 0.189 0.000 0.826 567 L CB 2.115 44.357 42.059 0.304 0.000 1.291 567 L HN 0.634 nan 8.230 nan 0.000 0.406 568 Q N 4.377 124.237 119.800 0.100 0.000 2.333 568 Q HA 0.313 4.653 4.340 -0.000 0.000 0.265 568 Q C -1.683 174.336 176.000 0.032 0.000 0.989 568 Q CA -0.587 55.252 55.803 0.060 0.000 0.842 568 Q CB 2.324 31.071 28.738 0.016 0.000 1.262 568 Q HN 0.621 nan 8.270 nan 0.000 0.451 569 Y N 1.459 121.626 120.300 -0.221 0.000 2.330 569 Y HA 0.392 4.942 4.550 0.000 0.000 0.336 569 Y C -0.894 174.805 175.900 -0.335 0.000 1.036 569 Y CA -0.285 57.593 58.100 -0.371 0.000 1.125 569 Y CB 1.545 39.456 38.460 -0.914 0.000 1.194 569 Y HN 0.406 nan 8.280 nan 0.000 0.469 570 T N 7.402 121.488 114.554 -0.780 0.000 2.786 570 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 570 T C -0.511 173.615 174.700 -0.957 0.000 0.992 570 T CA -0.926 60.745 62.100 -0.715 0.000 0.954 570 T CB 0.476 69.150 68.868 -0.323 0.000 0.934 570 T HN 0.796 nan 8.240 nan 0.000 0.440 571 R N 2.281 122.236 120.500 -0.908 0.000 2.827 571 R HA 0.304 4.644 4.340 -0.000 0.000 0.269 571 R C 0.375 176.492 176.300 -0.305 0.000 1.048 571 R CA -0.820 54.938 56.100 -0.569 0.000 1.173 571 R CB 0.799 30.946 30.300 -0.255 0.000 1.070 571 R HN 0.518 nan 8.270 nan 0.000 0.498 572 R N 1.167 121.522 120.500 -0.240 0.000 2.522 572 R HA -0.084 4.256 4.340 -0.000 0.000 0.284 572 R C 0.353 176.535 176.300 -0.198 0.000 1.032 572 R CA 0.093 56.044 56.100 -0.249 0.000 1.049 572 R CB 0.702 30.702 30.300 -0.501 0.000 0.956 572 R HN 0.718 nan 8.270 nan 0.000 0.422 573 Q N 2.263 121.989 119.800 -0.123 0.000 2.269 573 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 573 Q C 0.597 176.540 176.000 -0.096 0.000 0.946 573 Q CA 1.093 56.840 55.803 -0.093 0.000 0.877 573 Q CB 0.139 28.848 28.738 -0.048 0.000 0.963 573 Q HN 0.748 nan 8.270 nan 0.000 0.472 574 N N -0.589 118.048 118.700 -0.105 0.000 2.203 574 N HA 0.031 4.771 4.740 -0.000 0.000 0.207 574 N C -0.409 175.025 175.510 -0.127 0.000 1.130 574 N CA -0.079 52.918 53.050 -0.088 0.000 0.861 574 N CB 0.795 39.264 38.487 -0.030 0.000 1.005 574 N HN -0.093 nan 8.380 nan 0.000 0.507 575 S N -1.389 114.204 115.700 -0.179 0.000 2.537 575 S HA 0.708 5.178 4.470 -0.000 0.000 0.270 575 S C -0.958 173.533 174.600 -0.183 0.000 1.142 575 S CA -0.224 57.861 58.200 -0.192 0.000 0.870 575 S CB 1.283 64.332 63.200 -0.251 0.000 1.112 575 S HN 0.248 nan 8.310 nan 0.000 0.466 576 A N 3.064 125.790 122.820 -0.156 0.000 2.469 576 A HA 0.383 4.703 4.320 -0.000 0.000 0.245 576 A C 0.587 178.090 177.584 -0.134 0.000 1.221 576 A CA -0.179 51.785 52.037 -0.123 0.000 0.946 576 A CB -0.085 18.863 19.000 -0.087 0.000 1.049 576 A HN 0.667 nan 8.150 nan 0.000 0.529 577 N N 0.770 119.347 118.700 -0.205 0.000 2.279 577 N HA 0.176 4.916 4.740 -0.000 0.000 0.226 577 N C -0.499 174.892 175.510 -0.199 0.000 1.126 577 N CA 0.385 53.245 53.050 -0.318 0.000 0.846 577 N CB 0.655 38.791 38.487 -0.585 0.000 1.050 577 N HN 0.478 nan 8.380 nan 0.000 0.502 578 E N -0.592 119.530 120.200 -0.129 0.000 3.067 578 E HA 0.153 4.503 4.350 -0.000 0.000 0.188 578 E C -0.570 176.010 176.600 -0.033 0.000 0.964 578 E CA -0.203 56.145 56.400 -0.088 0.000 1.286 578 E CB 0.446 29.960 29.700 -0.310 0.000 1.051 578 E HN 0.179 nan 8.360 nan 0.000 0.465 579 Q N 0.794 120.608 119.800 0.024 0.000 2.288 579 Q HA 0.330 4.670 4.340 -0.000 0.000 0.254 579 Q C -0.186 175.914 176.000 0.166 0.000 0.932 579 Q CA -0.451 55.414 55.803 0.104 0.000 0.902 579 Q CB 1.825 30.613 28.738 0.083 0.000 1.203 579 Q HN 0.038 nan 8.270 nan 0.000 0.415 580 V N 2.440 122.495 119.914 0.236 0.000 2.555 580 V HA 0.179 4.299 4.120 -0.000 0.000 0.286 580 V C 0.505 176.708 176.094 0.182 0.000 1.044 580 V CA 0.396 62.817 62.300 0.202 0.000 1.026 580 V CB 0.758 32.676 31.823 0.157 0.000 0.981 580 V HN 1.011 nan 8.190 nan 0.000 0.480 581 A N 4.070 126.954 122.820 0.106 0.000 2.759 581 A HA 0.321 4.641 4.320 -0.000 0.000 0.214 581 A C 0.486 178.108 177.584 0.063 0.000 2.342 581 A CA -0.105 51.980 52.037 0.080 0.000 1.364 581 A CB -0.301 18.695 19.000 -0.007 0.000 1.221 581 A HN 0.678 nan 8.150 nan 0.000 0.468 582 D N -0.012 120.375 120.400 -0.022 0.000 2.443 582 D HA 0.464 5.104 4.640 -0.000 0.000 0.239 582 D C -0.682 175.626 176.300 0.012 0.000 1.136 582 D CA 1.029 54.978 54.000 -0.084 0.000 0.879 582 D CB 0.430 41.164 40.800 -0.111 0.000 1.195 582 D HN 0.436 nan 8.370 nan 0.000 0.443 583 Y N -2.063 118.132 120.300 -0.175 0.000 2.624 583 Y HA 0.547 5.097 4.550 0.000 0.000 0.334 583 Y C -1.116 174.726 175.900 -0.095 0.000 1.155 583 Y CA -1.106 56.928 58.100 -0.109 0.000 1.046 583 Y CB 1.083 39.428 38.460 -0.192 0.000 1.316 583 Y HN 0.259 nan 8.280 nan 0.000 0.457 584 E N 2.690 122.950 120.200 0.100 0.000 2.359 584 E HA 0.738 5.088 4.350 -0.000 0.000 0.266 584 E C -1.489 175.241 176.600 0.216 0.000 0.920 584 E CA -1.098 55.315 56.400 0.021 0.000 0.788 584 E CB 3.324 33.020 29.700 -0.006 0.000 1.279 584 E HN 0.616 nan 8.360 nan 0.000 0.438 585 I N 1.215 121.808 120.570 0.037 0.000 2.569 585 I HA 0.426 4.596 4.170 -0.000 0.000 0.296 585 I C -1.216 174.779 176.117 -0.202 0.000 1.028 585 I CA -0.747 60.597 61.300 0.074 0.000 1.082 585 I CB 1.187 39.274 38.000 0.145 0.000 1.264 585 I HN 0.467 nan 8.210 nan 0.000 0.429 586 Y N 2.014 122.313 120.300 -0.002 0.000 2.553 586 Y HA 0.643 5.193 4.550 0.000 0.000 0.347 586 Y C 0.182 176.222 175.900 0.234 0.000 1.019 586 Y CA -0.751 57.393 58.100 0.074 0.000 1.032 586 Y CB 2.550 41.067 38.460 0.095 0.000 1.284 586 Y HN 0.545 nan 8.280 nan 0.000 0.466 587 T N -1.597 113.218 114.554 0.435 0.000 2.906 587 T HA 0.803 5.152 4.350 -0.000 0.000 0.295 587 T C -0.951 173.860 174.700 0.184 0.000 1.075 587 T CA -0.822 61.497 62.100 0.366 0.000 1.005 587 T CB 1.924 70.870 68.868 0.131 0.000 1.136 587 T HN 0.603 nan 8.240 nan 0.000 0.498 588 S N 0.077 115.735 115.700 -0.070 0.000 2.550 588 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 588 S C 0.015 174.572 174.600 -0.072 0.000 1.145 588 S CA -0.850 57.138 58.200 -0.354 0.000 0.852 588 S CB 1.392 63.815 63.200 -1.295 0.000 1.119 588 S HN 0.732 nan 8.310 nan 0.000 0.465 589 L N 2.592 123.771 121.223 -0.073 0.000 2.316 589 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 589 L C 1.777 178.706 176.870 0.097 0.000 1.070 589 L CA 0.489 55.344 54.840 0.025 0.000 0.820 589 L CB -0.216 41.837 42.059 -0.010 0.000 0.992 589 L HN 0.792 nan 8.230 nan 0.000 0.466 590 N N -0.524 118.146 118.700 -0.050 0.000 2.205 590 N HA 0.099 4.839 4.740 -0.000 0.000 0.201 590 N C 1.294 176.590 175.510 -0.357 0.000 1.128 590 N CA 0.647 53.657 53.050 -0.067 0.000 0.867 590 N CB 0.472 38.900 38.487 -0.099 0.000 0.996 590 N HN 0.161 nan 8.380 nan 0.000 0.503 591 G N -0.240 108.055 108.800 -0.840 0.000 2.155 591 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 591 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 591 G C 0.760 175.194 174.900 -0.776 0.000 0.983 591 G CA 1.355 45.570 45.100 -1.474 0.000 0.676 591 G HN 0.740 nan 8.290 nan 0.000 0.528 592 T N -4.717 109.483 114.554 -0.590 0.000 2.980 592 T HA 0.349 4.699 4.350 -0.000 0.000 0.252 592 T C 0.761 175.344 174.700 -0.195 0.000 0.962 592 T CA 1.171 63.130 62.100 -0.235 0.000 0.932 592 T CB 0.696 69.488 68.868 -0.127 0.000 1.188 592 T HN 0.437 nan 8.240 nan 0.000 0.500 593 T N 2.663 117.017 114.554 -0.332 0.000 2.753 593 T HA 0.488 4.838 4.350 -0.000 0.000 0.297 593 T C -1.460 173.069 174.700 -0.285 0.000 0.981 593 T CA -0.461 61.534 62.100 -0.175 0.000 0.956 593 T CB 0.236 69.036 68.868 -0.114 0.000 0.936 593 T HN 0.354 nan 8.240 nan 0.000 0.463 594 W N 2.511 123.809 121.300 -0.002 0.000 2.376 594 W HA 0.397 5.057 4.660 -0.000 0.000 0.312 594 W C -0.288 176.302 176.519 0.118 0.000 1.060 594 W CA -0.832 56.541 57.345 0.045 0.000 1.221 594 W CB 0.961 30.412 29.460 -0.015 0.000 1.281 594 W HN 0.484 nan 8.180 nan 0.000 0.456 595 D N 2.463 123.059 120.400 0.326 0.000 2.198 595 D HA 0.643 5.283 4.640 -0.000 0.000 0.245 595 D C 0.521 176.947 176.300 0.210 0.000 1.079 595 D CA 0.173 54.297 54.000 0.207 0.000 0.854 595 D CB 1.800 42.654 40.800 0.090 0.000 1.148 595 D HN 0.601 nan 8.370 nan 0.000 0.456 596 G N 2.018 110.878 108.800 0.099 0.000 2.362 596 G HA2 0.119 4.079 3.960 -0.000 0.000 0.288 596 G HA3 0.119 4.079 3.960 -0.000 0.000 0.288 596 G C -2.982 171.776 174.900 -0.237 0.000 1.305 596 G CA -1.035 43.938 45.100 -0.211 0.000 0.910 596 G HN 0.307 nan 8.290 nan 0.000 0.518 597 P HA 0.314 nan 4.420 nan 0.000 0.267 597 P C 1.224 178.264 177.300 -0.434 0.000 1.209 597 P CA 0.163 62.751 63.100 -0.854 0.000 0.763 597 P CB 1.194 32.551 31.700 -0.570 0.000 0.816 598 V N 0.560 120.215 119.914 -0.431 0.000 3.129 598 V HA 0.425 4.545 4.120 -0.000 0.000 0.259 598 V C 0.627 176.617 176.094 -0.174 0.000 1.116 598 V CA 1.069 63.186 62.300 -0.305 0.000 1.127 598 V CB -0.933 30.582 31.823 -0.513 0.000 0.742 598 V HN 0.590 nan 8.190 nan 0.000 0.474 599 A N -0.055 122.664 122.820 -0.167 0.000 2.612 599 A HA 0.860 5.180 4.320 -0.000 0.000 0.293 599 A C -0.450 177.061 177.584 -0.122 0.000 1.075 599 A CA 0.163 52.191 52.037 -0.014 0.000 0.680 599 A CB 1.629 20.776 19.000 0.245 0.000 1.279 599 A HN 1.310 nan 8.150 nan 0.000 0.411 600 S N -0.411 115.167 115.700 -0.203 0.000 2.596 600 S HA 0.971 5.441 4.470 -0.000 0.000 0.270 600 S C -0.125 174.066 174.600 -0.682 0.000 1.155 600 S CA 0.512 58.419 58.200 -0.489 0.000 0.827 600 S CB 1.192 64.191 63.200 -0.335 0.000 1.130 600 S HN 2.832 nan 8.310 nan 0.000 0.467 601 G N 0.934 109.075 108.800 -1.098 0.000 2.398 601 G HA2 0.435 4.395 3.960 -0.000 0.000 0.251 601 G HA3 0.435 4.395 3.960 -0.000 0.000 0.251 601 G C -1.896 172.552 174.900 -0.753 0.000 1.277 601 G CA -0.678 43.989 45.100 -0.721 0.000 0.927 601 G HN 0.841 nan 8.290 nan 0.000 0.477 602 R N -0.389 119.932 120.500 -0.299 0.000 2.564 602 R HA 0.609 4.949 4.340 -0.000 0.000 0.284 602 R C -1.233 175.077 176.300 0.017 0.000 1.031 602 R CA -0.672 55.357 56.100 -0.118 0.000 0.904 602 R CB 1.075 31.329 30.300 -0.077 0.000 1.199 602 R HN 0.281 nan 8.270 nan 0.000 0.443 603 F N 1.255 121.315 119.950 0.183 0.000 2.380 603 F HA 0.257 4.784 4.527 0.000 0.000 0.325 603 F C 1.441 177.287 175.800 0.076 0.000 1.136 603 F CA 0.012 58.060 58.000 0.079 0.000 1.171 603 F CB 1.074 40.008 39.000 -0.110 0.000 1.230 603 F HN 0.488 nan 8.300 nan 0.000 0.554 604 T N -3.025 111.716 114.554 0.312 0.000 2.867 604 T HA 0.275 4.625 4.350 -0.000 0.000 0.286 604 T C 0.898 175.700 174.700 0.170 0.000 1.022 604 T CA -0.023 62.187 62.100 0.183 0.000 0.933 604 T CB 0.694 69.645 68.868 0.139 0.000 1.280 604 T HN 0.635 nan 8.240 nan 0.000 0.566 605 T N -2.395 112.220 114.554 0.102 0.000 3.188 605 T HA 0.220 4.570 4.350 -0.000 0.000 0.250 605 T C 0.902 175.624 174.700 0.038 0.000 1.077 605 T CA -0.265 61.876 62.100 0.069 0.000 0.967 605 T CB -0.413 68.478 68.868 0.037 0.000 1.006 605 T HN 0.595 nan 8.240 nan 0.000 0.552 606 S N 0.944 116.673 115.700 0.048 0.000 2.546 606 S HA 0.164 4.634 4.470 -0.000 0.000 0.290 606 S C 1.188 175.772 174.600 -0.027 0.000 1.290 606 S CA -0.549 57.660 58.200 0.014 0.000 1.069 606 S CB -0.097 63.121 63.200 0.030 0.000 0.846 606 S HN 0.501 nan 8.310 nan 0.000 0.495 607 L N 4.075 125.267 121.223 -0.051 0.000 2.376 607 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 607 L C 1.569 178.373 176.870 -0.110 0.000 1.133 607 L CA 0.540 55.328 54.840 -0.087 0.000 0.816 607 L CB -0.665 41.348 42.059 -0.077 0.000 0.933 607 L HN 0.739 nan 8.230 nan 0.000 0.449 608 A N -0.055 122.713 122.820 -0.087 0.000 2.313 608 A HA 0.426 4.746 4.320 -0.000 0.000 0.261 608 A C -2.221 175.292 177.584 -0.119 0.000 1.090 608 A CA -1.190 50.791 52.037 -0.093 0.000 0.807 608 A CB -0.387 18.574 19.000 -0.065 0.000 1.055 608 A HN -0.084 nan 8.150 nan 0.000 0.492 609 P HA 0.172 nan 4.420 nan 0.000 0.267 609 P C -0.956 176.313 177.300 -0.053 0.000 1.205 609 P CA 0.431 63.459 63.100 -0.119 0.000 0.765 609 P CB 0.349 31.990 31.700 -0.098 0.000 0.828 610 Q N 2.646 122.429 119.800 -0.029 0.000 2.312 610 Q HA 0.461 4.801 4.340 -0.000 0.000 0.263 610 Q C -0.172 175.918 176.000 0.149 0.000 0.995 610 Q CA -0.795 55.063 55.803 0.090 0.000 0.853 610 Q CB 2.261 31.108 28.738 0.183 0.000 1.300 610 Q HN 0.328 nan 8.270 nan 0.000 0.448 611 R N 0.787 121.392 120.500 0.175 0.000 2.404 611 R HA 0.676 5.016 4.340 -0.000 0.000 0.291 611 R C -0.787 175.665 176.300 0.253 0.000 1.025 611 R CA -0.508 55.694 56.100 0.171 0.000 0.991 611 R CB 1.125 31.488 30.300 0.104 0.000 1.053 611 R HN 0.568 nan 8.270 nan 0.000 0.479 612 A N 2.732 125.705 122.820 0.254 0.000 2.311 612 A HA 0.492 4.812 4.320 -0.000 0.000 0.306 612 A C -0.243 177.470 177.584 0.216 0.000 1.189 612 A CA -0.743 51.472 52.037 0.298 0.000 0.791 612 A CB 0.984 20.212 19.000 0.380 0.000 1.172 612 A HN 0.555 nan 8.150 nan 0.000 0.481 613 V N 0.499 120.504 119.914 0.150 0.000 2.769 613 V HA 1.022 5.142 4.120 -0.000 0.000 0.312 613 V C -0.668 175.479 176.094 0.089 0.000 1.058 613 V CA -0.999 61.281 62.300 -0.033 0.000 0.952 613 V CB 0.974 32.775 31.823 -0.037 0.000 1.019 613 V HN 1.214 nan 8.190 nan 0.000 0.445 614 F N -0.000 119.991 119.950 0.069 0.000 2.678 614 F HA 0.867 5.394 4.527 -0.000 0.000 0.308 614 F C -3.126 172.702 175.800 0.047 0.000 1.118 614 F CA -2.794 55.237 58.000 0.052 0.000 0.959 614 F CB 0.551 39.583 39.000 0.053 0.000 1.305 614 F HN 0.355 nan 8.300 nan 0.000 0.443 615 P HA 0.115 nan 4.420 nan 0.000 0.257 615 P C -0.115 177.326 177.300 0.236 0.000 1.162 615 P CA 0.575 63.779 63.100 0.174 0.000 0.762 615 P CB 0.112 31.899 31.700 0.145 0.000 0.753 616 A N 4.973 127.864 122.820 0.119 0.000 2.609 616 A HA 0.190 4.510 4.320 -0.000 0.000 0.232 616 A C 0.709 178.386 177.584 0.156 0.000 1.041 616 A CA 0.658 52.764 52.037 0.115 0.000 0.753 616 A CB -0.235 18.799 19.000 0.057 0.000 0.966 616 A HN 0.724 nan 8.150 nan 0.000 0.510 617 R N 1.087 121.692 120.500 0.176 0.000 2.664 617 R HA 0.396 4.736 4.340 -0.000 0.000 0.260 617 R C -2.128 174.256 176.300 0.140 0.000 1.062 617 R CA -0.943 55.247 56.100 0.149 0.000 0.902 617 R CB 0.645 31.045 30.300 0.166 0.000 1.258 617 R HN 0.452 nan 8.270 nan 0.000 0.465 618 D N 0.843 121.300 120.400 0.095 0.000 2.341 618 D HA 0.651 5.291 4.640 -0.000 0.000 0.245 618 D C -0.449 175.901 176.300 0.084 0.000 1.106 618 D CA 0.398 54.446 54.000 0.081 0.000 0.905 618 D CB 1.655 42.481 40.800 0.043 0.000 1.202 618 D HN 0.780 nan 8.370 nan 0.000 0.426 619 A N 1.448 124.319 122.820 0.085 0.000 2.594 619 A HA 0.441 4.761 4.320 -0.000 0.000 0.296 619 A C 0.230 177.843 177.584 0.050 0.000 1.056 619 A CA -0.741 51.346 52.037 0.084 0.000 0.693 619 A CB 1.211 20.294 19.000 0.138 0.000 1.278 619 A HN 0.494 nan 8.150 nan 0.000 0.408 620 R N -0.199 120.298 120.500 -0.005 0.000 2.282 620 R HA 0.364 4.704 4.340 -0.000 0.000 0.195 620 R C -0.913 175.138 176.300 -0.416 0.000 0.909 620 R CA 0.804 56.772 56.100 -0.220 0.000 1.039 620 R CB 0.186 30.270 30.300 -0.360 0.000 1.015 620 R HN 0.690 nan 8.270 nan 0.000 0.513 621 Y N -0.523 119.799 120.300 0.038 0.000 2.524 621 Y HA 0.465 5.015 4.550 -0.000 0.000 0.347 621 Y C -0.779 175.269 175.900 0.247 0.000 1.005 621 Y CA -1.169 57.001 58.100 0.115 0.000 1.025 621 Y CB 2.009 40.471 38.460 0.003 0.000 1.275 621 Y HN -0.131 nan 8.280 nan 0.000 0.460 622 I N 2.374 123.241 120.570 0.496 0.000 2.647 622 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 622 I C -1.390 174.967 176.117 0.400 0.000 1.078 622 I CA -0.895 60.681 61.300 0.461 0.000 1.048 622 I CB 1.920 40.114 38.000 0.324 0.000 1.239 622 I HN 0.770 nan 8.210 nan 0.000 0.421 623 R N 6.660 127.334 120.500 0.290 0.000 2.532 623 R HA 0.553 4.893 4.340 -0.000 0.000 0.297 623 R C -2.167 174.206 176.300 0.122 0.000 0.984 623 R CA -0.743 55.374 56.100 0.029 0.000 0.884 623 R CB 1.809 31.817 30.300 -0.488 0.000 1.182 623 R HN 0.621 nan 8.270 nan 0.000 0.442 624 L N 5.340 126.632 121.223 0.114 0.000 2.272 624 L HA 0.418 4.758 4.340 -0.000 0.000 0.289 624 L C -1.367 175.621 176.870 0.197 0.000 1.032 624 L CA -0.362 54.601 54.840 0.204 0.000 0.810 624 L CB 1.806 44.008 42.059 0.237 0.000 1.205 624 L HN 0.407 nan 8.230 nan 0.000 0.422 625 V N 5.911 125.973 119.914 0.247 0.000 2.333 625 V HA 0.579 4.699 4.120 -0.000 0.000 0.274 625 V C 0.570 176.841 176.094 0.295 0.000 1.028 625 V CA -0.415 62.018 62.300 0.221 0.000 0.851 625 V CB 0.963 32.890 31.823 0.173 0.000 1.000 625 V HN 0.945 nan 8.190 nan 0.000 0.456 626 A N 5.795 128.826 122.820 0.353 0.000 2.376 626 A HA 0.562 4.882 4.320 -0.000 0.000 0.298 626 A C 0.808 178.666 177.584 0.458 0.000 1.271 626 A CA -0.228 52.070 52.037 0.435 0.000 0.926 626 A CB 0.126 19.458 19.000 0.552 0.000 1.141 626 A HN 0.902 nan 8.150 nan 0.000 0.539 627 L N 2.106 123.492 121.223 0.273 0.000 2.307 627 L HA 0.099 4.439 4.340 -0.000 0.000 0.211 627 L C 0.963 177.842 176.870 0.016 0.000 1.099 627 L CA 0.949 55.883 54.840 0.157 0.000 0.816 627 L CB -0.093 41.993 42.059 0.045 0.000 0.952 627 L HN 0.817 nan 8.230 nan 0.000 0.455 628 S N -2.346 113.228 115.700 -0.210 0.000 2.596 628 S HA 0.434 4.904 4.470 -0.000 0.000 0.270 628 S C -1.020 173.099 174.600 -0.801 0.000 1.155 628 S CA -0.960 56.888 58.200 -0.588 0.000 0.827 628 S CB 2.680 65.718 63.200 -0.271 0.000 1.130 628 S HN -0.038 nan 8.310 nan 0.000 0.467 629 E N 0.105 119.822 120.200 -0.804 0.000 2.222 629 E HA 0.293 4.643 4.350 -0.000 0.000 0.272 629 E C 0.462 176.977 176.600 -0.141 0.000 0.982 629 E CA -0.624 55.555 56.400 -0.369 0.000 0.842 629 E CB 1.334 30.916 29.700 -0.198 0.000 1.144 629 E HN 0.671 nan 8.360 nan 0.000 0.397 630 Q N 0.523 120.311 119.800 -0.020 0.000 2.077 630 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 630 Q C 1.448 177.452 176.000 0.008 0.000 0.989 630 Q CA 2.349 58.159 55.803 0.012 0.000 0.853 630 Q CB -0.260 28.506 28.738 0.048 0.000 0.907 630 Q HN 0.642 nan 8.270 nan 0.000 0.418 631 T N -4.782 109.805 114.554 0.054 0.000 3.182 631 T HA 0.498 4.848 4.350 -0.000 0.000 0.277 631 T C 0.880 175.525 174.700 -0.092 0.000 1.013 631 T CA 0.395 62.516 62.100 0.035 0.000 0.900 631 T CB 0.814 69.755 68.868 0.123 0.000 1.098 631 T HN 0.377 nan 8.240 nan 0.000 0.543 632 G N 1.005 109.734 108.800 -0.120 0.000 2.144 632 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 632 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 632 G C -0.180 174.569 174.900 -0.251 0.000 0.988 632 G CA -0.294 44.675 45.100 -0.217 0.000 0.659 632 G HN 0.732 nan 8.290 nan 0.000 0.522 633 H N -0.468 118.561 119.070 -0.068 0.000 2.544 633 H HA 0.533 5.089 4.556 -0.000 0.000 0.365 633 H C 1.509 176.865 175.328 0.046 0.000 1.268 633 H CA 0.538 56.563 56.048 -0.039 0.000 1.400 633 H CB 0.924 30.666 29.762 -0.034 0.000 1.538 633 H HN 0.067 nan 8.280 nan 0.000 0.597 634 K N 0.467 120.857 120.400 -0.016 0.000 2.057 634 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 634 K C -0.355 176.284 176.600 0.066 0.000 1.049 634 K CA 1.224 57.424 56.287 -0.144 0.000 0.931 634 K CB 0.160 32.242 32.500 -0.696 0.000 0.714 634 K HN 0.390 nan 8.250 nan 0.000 0.440 635 Y N -0.369 120.102 120.300 0.284 0.000 2.419 635 Y HA 0.497 5.047 4.550 -0.000 0.000 0.328 635 Y C 0.021 175.824 175.900 -0.161 0.000 1.162 635 Y CA -1.668 56.423 58.100 -0.014 0.000 1.174 635 Y CB 1.395 39.863 38.460 0.013 0.000 1.228 635 Y HN -0.069 nan 8.280 nan 0.000 0.473 636 A N 1.210 123.760 122.820 -0.450 0.000 2.330 636 A HA 0.922 5.242 4.320 -0.000 0.000 0.327 636 A C -0.933 176.162 177.584 -0.815 0.000 1.155 636 A CA -0.436 51.316 52.037 -0.476 0.000 0.803 636 A CB 0.593 19.287 19.000 -0.511 0.000 1.208 636 A HN 0.895 nan 8.150 nan 0.000 0.477 637 A N 1.407 123.885 122.820 -0.571 0.000 2.414 637 A HA 0.734 5.054 4.320 -0.000 0.000 0.306 637 A C -1.180 176.302 177.584 -0.169 0.000 1.054 637 A CA -0.480 51.241 52.037 -0.527 0.000 0.724 637 A CB 1.560 20.131 19.000 -0.716 0.000 1.267 637 A HN 1.281 nan 8.150 nan 0.000 0.418 638 V N 1.718 121.658 119.914 0.044 0.000 2.623 638 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 638 V C 0.954 177.148 176.094 0.167 0.000 1.054 638 V CA 0.155 62.544 62.300 0.148 0.000 0.882 638 V CB 1.399 33.471 31.823 0.415 0.000 1.002 638 V HN 1.289 nan 8.190 nan 0.000 0.424 639 A N 3.352 126.181 122.820 0.015 0.000 1.930 639 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 639 A C 0.720 178.334 177.584 0.051 0.000 1.176 639 A CA 1.073 53.157 52.037 0.078 0.000 0.632 639 A CB 0.133 19.133 19.000 0.001 0.000 0.819 639 A HN 0.691 nan 8.150 nan 0.000 0.445 640 E N -1.103 119.082 120.200 -0.025 0.000 2.354 640 E HA 0.510 4.860 4.350 -0.000 0.000 0.283 640 E C -1.889 174.700 176.600 -0.018 0.000 0.938 640 E CA -0.275 56.115 56.400 -0.016 0.000 0.777 640 E CB 1.575 31.248 29.700 -0.045 0.000 1.222 640 E HN 0.254 nan 8.360 nan 0.000 0.423 641 L N 2.175 123.417 121.223 0.030 0.000 2.356 641 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 641 L C -0.021 176.871 176.870 0.037 0.000 0.996 641 L CA -0.708 54.164 54.840 0.053 0.000 0.822 641 L CB 1.620 43.734 42.059 0.092 0.000 1.256 641 L HN 0.250 nan 8.230 nan 0.000 0.413 642 E N 2.795 123.016 120.200 0.036 0.000 2.256 642 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 642 E C -1.191 175.439 176.600 0.050 0.000 0.892 642 E CA -0.742 55.675 56.400 0.027 0.000 0.775 642 E CB 3.440 33.144 29.700 0.007 0.000 1.207 642 E HN 0.159 nan 8.360 nan 0.000 0.420 643 V N 2.183 122.119 119.914 0.038 0.000 2.357 643 V HA 0.160 4.280 4.120 -0.000 0.000 0.284 643 V C -0.014 176.089 176.094 0.015 0.000 1.018 643 V CA -0.754 61.578 62.300 0.053 0.000 0.841 643 V CB 1.198 33.058 31.823 0.062 0.000 0.991 643 V HN 0.526 nan 8.190 nan 0.000 0.437 644 E N 3.602 123.804 120.200 0.004 0.000 2.265 644 E HA 0.536 4.886 4.350 -0.000 0.000 0.272 644 E C 0.499 177.079 176.600 -0.034 0.000 1.067 644 E CA 0.166 56.549 56.400 -0.028 0.000 0.900 644 E CB 1.108 30.771 29.700 -0.063 0.000 1.017 644 E HN 0.913 nan 8.360 nan 0.000 0.431 645 G N 2.129 110.914 108.800 -0.025 0.000 2.441 645 G HA2 0.200 4.160 3.960 -0.000 0.000 0.294 645 G HA3 0.200 4.160 3.960 -0.000 0.000 0.294 645 G C -1.701 173.194 174.900 -0.009 0.000 1.393 645 G CA -0.879 44.216 45.100 -0.008 0.000 0.796 645 G HN 0.347 nan 8.290 nan 0.000 0.494 646 Q N 0.874 120.693 119.800 0.033 0.000 2.331 646 Q HA 0.532 4.872 4.340 -0.000 0.000 0.257 646 Q C 0.866 176.929 176.000 0.105 0.000 0.957 646 Q CA -0.330 55.505 55.803 0.054 0.000 0.923 646 Q CB 0.560 29.339 28.738 0.067 0.000 1.212 646 Q HN 0.521 nan 8.270 nan 0.000 0.443 647 R N 0.000 120.524 120.500 0.041 0.000 2.786 647 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 647 R CA 0.000 56.133 56.100 0.056 0.000 0.921 647 R CB 0.000 30.310 30.300 0.016 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535