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 3nvq_1_E DATA FIRST_RESID 46 DATA SEQUENCE GHLRSGPRIF AVWKGHVGQD RVDFGQTEPH TVLFHEPGSS SVWVGGRGKV DATA SEQUENCE YLFDFPEGKN ASVRTVNIGS TKGScLDKRD cENYITLLER RSEGLLAcGT DATA SEQUENCE NARHPScWNL VNGTVVPLGE MRGYAPFSPD ENSLVLFEGD EVYSTIRKQE DATA SEQUENCE YNGKIPRFRR IRGESELYTS DTVMQNPQFI KATIVHQDQA YDDKIYYFFR DATA SEQUENCE EDNPDKNPEA PLNVSRVAQL cRGDQGGESS LSVSKWNTFL KAMLVcSDAA DATA SEQUENCE TNKNFNRLQD VFLLPDPSGQ WRDTRVYGVF SNPWNYSAVc VYSLGDIDKV DATA SEQUENCE FRTSSLKGYH SSLPNPRPGK cLPDQQPIPT ETFQVADRHP EVAQRVEPMG DATA SEQUENCE PLKTPLFHSK YHYQKVAVHR MQASHGETFH VLYLTTDRGT IHKVVEPGEQ DATA SEQUENCE EHSFAFNIME IQPFRRAAAI QTMSLDAERR KLYVSSQWEV SQVPLDLcEV DATA SEQUENCE YGGGcHGcLM SRDPYcGWDQ GRcISIYSSE RSVLQSINPA EPHKEcPNPK DATA SEQUENCE PDKAPLQKVS LAPNSRYYLS cPMESRHATY SWRHKENVEQ ScEPGHQSPN DATA SEQUENCE cILFIENLTA QQYGHYFcEA QEGSYFREAQ HWQLLPED 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 46 G HA2 0.000 nan 3.960 nan 0.000 0.244 46 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 46 G C 0.000 174.321 174.900 -0.965 0.000 0.946 46 G CA 0.000 44.667 45.100 -0.722 0.000 0.502 47 H N -0.225 118.431 119.070 -0.689 0.000 2.856 47 H HA 0.469 5.025 4.556 -0.000 0.000 0.355 47 H C -1.038 174.055 175.328 -0.392 0.000 1.079 47 H CA -0.617 55.184 56.048 -0.411 0.000 1.240 47 H CB 2.058 31.652 29.762 -0.279 0.000 1.701 47 H HN 0.216 nan 8.280 nan 0.000 0.527 48 L N 3.360 124.489 121.223 -0.156 0.000 2.399 48 L HA 0.234 4.574 4.340 -0.000 0.000 0.257 48 L C 1.361 178.059 176.870 -0.286 0.000 1.236 48 L CA 0.502 55.232 54.840 -0.184 0.000 1.144 48 L CB -0.357 41.629 42.059 -0.121 0.000 1.379 48 L HN 0.392 nan 8.230 nan 0.000 0.414 49 R N -0.665 119.622 120.500 -0.354 0.000 2.509 49 R HA 0.101 4.441 4.340 -0.000 0.000 0.300 49 R C 1.521 177.589 176.300 -0.387 0.000 0.985 49 R CA 0.415 56.124 56.100 -0.652 0.000 1.092 49 R CB 0.422 30.369 30.300 -0.588 0.000 1.237 49 R HN 0.559 nan 8.270 nan 0.000 0.546 50 S N -0.808 114.782 115.700 -0.183 0.000 2.603 50 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 50 S C 0.986 175.637 174.600 0.085 0.000 0.967 50 S CA -0.169 58.013 58.200 -0.031 0.000 0.920 50 S CB 0.474 63.765 63.200 0.151 0.000 0.773 50 S HN 0.245 nan 8.310 nan 0.000 0.529 51 G N 2.106 110.949 108.800 0.071 0.000 2.400 51 G HA2 0.563 4.523 3.960 -0.000 0.000 0.301 51 G HA3 0.563 4.523 3.960 -0.000 0.000 0.301 51 G C -3.204 171.721 174.900 0.041 0.000 1.154 51 G CA -2.109 43.099 45.100 0.180 0.000 0.852 51 G HN 0.102 nan 8.290 nan 0.000 0.511 52 P HA 0.087 nan 4.420 nan 0.000 0.263 52 P C 0.683 177.830 177.300 -0.256 0.000 1.195 52 P CA -0.164 62.686 63.100 -0.417 0.000 0.762 52 P CB 1.097 32.293 31.700 -0.841 0.000 0.799 53 R N 4.137 124.372 120.500 -0.441 0.000 2.090 53 R HA 0.039 4.379 4.340 -0.000 0.000 0.228 53 R C 0.327 176.529 176.300 -0.163 0.000 1.110 53 R CA 1.163 56.876 56.100 -0.646 0.000 0.973 53 R CB 0.190 30.010 30.300 -0.800 0.000 0.869 53 R HN 0.385 nan 8.270 nan 0.000 0.440 54 I N 1.190 121.713 120.570 -0.078 0.000 2.465 54 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 54 I C -1.043 175.092 176.117 0.029 0.000 1.014 54 I CA -0.792 60.554 61.300 0.076 0.000 1.093 54 I CB 1.695 39.773 38.000 0.131 0.000 1.267 54 I HN -0.031 nan 8.210 nan 0.000 0.431 55 F N 4.652 124.574 119.950 -0.046 0.000 2.451 55 F HA 0.432 4.959 4.527 -0.000 0.000 0.356 55 F C 1.177 176.953 175.800 -0.040 0.000 1.178 55 F CA -0.530 57.446 58.000 -0.041 0.000 1.210 55 F CB 0.366 39.359 39.000 -0.012 0.000 1.504 55 F HN 0.523 nan 8.300 nan 0.000 0.598 56 A N 2.182 124.996 122.820 -0.010 0.000 2.555 56 A HA 0.381 4.701 4.320 -0.000 0.000 0.233 56 A C -0.162 177.431 177.584 0.016 0.000 1.060 56 A CA -0.106 51.900 52.037 -0.051 0.000 0.759 56 A CB 0.189 19.088 19.000 -0.169 0.000 0.995 56 A HN 0.409 nan 8.150 nan 0.000 0.506 57 V N 2.984 122.913 119.914 0.025 0.000 2.376 57 V HA 0.202 4.322 4.120 -0.000 0.000 0.287 57 V C -0.840 175.329 176.094 0.124 0.000 1.015 57 V CA -0.393 61.952 62.300 0.075 0.000 0.834 57 V CB 1.239 33.098 31.823 0.059 0.000 1.001 57 V HN 0.902 nan 8.190 nan 0.000 0.428 58 W N 6.531 127.781 121.300 -0.084 0.000 2.433 58 W HA 0.507 5.167 4.660 0.000 0.000 0.331 58 W C 0.004 176.464 176.519 -0.099 0.000 1.110 58 W CA -1.742 55.537 57.345 -0.111 0.000 1.450 58 W CB 0.776 30.163 29.460 -0.120 0.000 1.348 58 W HN 0.438 nan 8.180 nan 0.000 0.415 59 K N 4.883 125.289 120.400 0.010 0.000 2.291 59 K HA 0.470 4.790 4.320 -0.000 0.000 0.242 59 K C 0.873 177.262 176.600 -0.351 0.000 1.098 59 K CA -0.245 55.940 56.287 -0.170 0.000 1.036 59 K CB 0.683 33.138 32.500 -0.074 0.000 1.655 59 K HN 0.422 nan 8.250 nan 0.000 0.432 60 G N 0.883 109.244 108.800 -0.731 0.000 2.735 60 G HA2 0.072 4.032 3.960 -0.000 0.000 0.192 60 G HA3 0.072 4.032 3.960 -0.000 0.000 0.192 60 G C -0.580 173.934 174.900 -0.643 0.000 1.547 60 G CA -0.416 44.193 45.100 -0.818 0.000 1.080 60 G HN 0.557 nan 8.290 nan 0.000 0.569 61 H N 0.376 119.308 119.070 -0.229 0.000 2.786 61 H HA 0.285 4.841 4.556 -0.000 0.000 0.284 61 H C 0.201 175.448 175.328 -0.135 0.000 1.104 61 H CA -0.731 55.240 56.048 -0.128 0.000 1.339 61 H CB 0.681 30.406 29.762 -0.062 0.000 1.427 61 H HN 0.409 nan 8.280 nan 0.000 0.497 62 V N 0.760 120.652 119.914 -0.036 0.000 2.780 62 V HA 0.098 4.218 4.120 -0.000 0.000 0.301 62 V C 1.318 177.398 176.094 -0.024 0.000 1.168 62 V CA 0.977 63.243 62.300 -0.057 0.000 1.305 62 V CB -0.176 31.620 31.823 -0.045 0.000 0.858 62 V HN 1.046 nan 8.190 nan 0.000 0.502 63 G N 2.726 111.506 108.800 -0.033 0.000 2.184 63 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 63 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 63 G C 0.571 175.477 174.900 0.010 0.000 0.975 63 G CA 0.887 45.978 45.100 -0.014 0.000 0.642 63 G HN 0.935 nan 8.290 nan 0.000 0.536 64 Q N -0.813 119.009 119.800 0.037 0.000 2.402 64 Q HA 0.133 4.473 4.340 -0.000 0.000 0.231 64 Q C 1.512 177.631 176.000 0.199 0.000 0.888 64 Q CA 0.581 56.445 55.803 0.102 0.000 0.938 64 Q CB 0.311 29.121 28.738 0.121 0.000 1.086 64 Q HN 0.503 nan 8.270 nan 0.000 0.543 65 D N 1.136 121.598 120.400 0.103 0.000 2.301 65 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 65 D C 0.536 176.992 176.300 0.259 0.000 0.979 65 D CA 0.654 54.730 54.000 0.126 0.000 0.874 65 D CB 0.525 41.170 40.800 -0.259 0.000 0.968 65 D HN 0.215 nan 8.370 nan 0.000 0.510 66 R N -0.192 120.442 120.500 0.223 0.000 2.594 66 R HA 0.568 4.908 4.340 -0.000 0.000 0.265 66 R C -1.688 174.710 176.300 0.163 0.000 1.070 66 R CA -0.700 55.553 56.100 0.255 0.000 0.909 66 R CB 1.389 31.786 30.300 0.162 0.000 1.243 66 R HN -0.244 nan 8.270 nan 0.000 0.455 67 V N 1.486 121.498 119.914 0.164 0.000 2.735 67 V HA 0.350 4.470 4.120 -0.000 0.000 0.310 67 V C -0.647 175.460 176.094 0.021 0.000 1.061 67 V CA -0.882 61.486 62.300 0.114 0.000 0.913 67 V CB 2.134 34.098 31.823 0.234 0.000 1.005 67 V HN 0.744 nan 8.190 nan 0.000 0.428 68 D N 1.475 121.867 120.400 -0.013 0.000 2.340 68 D HA 0.595 5.235 4.640 -0.000 0.000 0.251 68 D C -0.415 175.837 176.300 -0.080 0.000 1.080 68 D CA -0.135 53.784 54.000 -0.134 0.000 0.971 68 D CB 0.824 41.589 40.800 -0.058 0.000 1.137 68 D HN 0.240 nan 8.370 nan 0.000 0.475 69 F N -0.397 119.602 119.950 0.082 0.000 2.368 69 F HA 0.378 4.905 4.527 -0.000 0.000 0.315 69 F C 1.965 177.825 175.800 0.101 0.000 1.145 69 F CA -0.771 57.219 58.000 -0.017 0.000 1.095 69 F CB 0.309 39.191 39.000 -0.196 0.000 1.286 69 F HN 0.388 nan 8.300 nan 0.000 0.530 70 G N -0.569 108.482 108.800 0.418 0.000 2.422 70 G HA2 0.035 3.995 3.960 -0.000 0.000 0.218 70 G HA3 0.035 3.995 3.960 -0.000 0.000 0.218 70 G C 0.143 175.174 174.900 0.220 0.000 1.140 70 G CA 0.647 45.896 45.100 0.250 0.000 0.775 70 G HN 0.648 nan 8.290 nan 0.000 0.545 71 Q N -1.758 118.225 119.800 0.306 0.000 2.991 71 Q HA 0.542 4.881 4.340 -0.000 0.000 0.322 71 Q C -1.004 175.219 176.000 0.372 0.000 0.978 71 Q CA -0.805 55.154 55.803 0.261 0.000 0.787 71 Q CB 0.739 29.600 28.738 0.204 0.000 1.492 71 Q HN -0.049 nan 8.270 nan 0.000 0.498 72 T N 0.503 115.272 114.554 0.359 0.000 2.743 72 T HA 0.238 4.588 4.350 -0.000 0.000 0.293 72 T C -0.809 174.024 174.700 0.222 0.000 0.945 72 T CA -0.445 61.919 62.100 0.439 0.000 1.030 72 T CB 0.497 69.661 68.868 0.494 0.000 0.912 72 T HN 0.434 nan 8.240 nan 0.000 0.483 73 E N 5.998 126.273 120.200 0.125 0.000 2.102 73 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 73 E C -1.923 174.655 176.600 -0.036 0.000 0.894 73 E CA -2.267 54.137 56.400 0.007 0.000 0.746 73 E CB 1.856 31.400 29.700 -0.259 0.000 1.129 73 E HN 0.508 nan 8.360 nan 0.000 0.416 74 P HA -0.082 nan 4.420 nan 0.000 0.216 74 P C -0.364 176.622 177.300 -0.523 0.000 1.153 74 P CA 1.254 64.156 63.100 -0.329 0.000 0.844 74 P CB 0.231 31.697 31.700 -0.391 0.000 0.787 75 H N -1.444 117.612 119.070 -0.023 0.000 2.481 75 H HA 0.582 5.138 4.556 -0.000 0.000 0.333 75 H C 0.271 175.629 175.328 0.050 0.000 1.066 75 H CA -0.430 55.589 56.048 -0.049 0.000 1.209 75 H CB 1.024 30.636 29.762 -0.250 0.000 1.445 75 H HN -0.040 nan 8.280 nan 0.000 0.488 76 T N -0.312 114.332 114.554 0.150 0.000 2.787 76 T HA 0.745 5.095 4.350 -0.000 0.000 0.297 76 T C -1.159 173.649 174.700 0.180 0.000 1.221 76 T CA -0.861 61.334 62.100 0.158 0.000 1.006 76 T CB 1.294 70.231 68.868 0.114 0.000 1.328 76 T HN 0.333 nan 8.240 nan 0.000 0.509 77 V N 0.965 121.006 119.914 0.212 0.000 2.851 77 V HA 0.652 4.771 4.120 -0.000 0.000 0.307 77 V C -1.138 175.126 176.094 0.283 0.000 1.129 77 V CA -0.890 61.548 62.300 0.229 0.000 0.932 77 V CB 1.913 33.867 31.823 0.218 0.000 1.024 77 V HN 1.045 nan 8.190 nan 0.000 0.426 78 L N 4.431 125.828 121.223 0.289 0.000 2.341 78 L HA 0.769 5.109 4.340 -0.000 0.000 0.278 78 L C -1.660 175.447 176.870 0.396 0.000 1.005 78 L CA -0.472 54.567 54.840 0.331 0.000 0.818 78 L CB 1.705 43.914 42.059 0.250 0.000 1.259 78 L HN 0.662 nan 8.230 nan 0.000 0.418 79 F N 5.187 125.312 119.950 0.292 0.000 2.507 79 F HA 0.573 5.100 4.527 -0.000 0.000 0.325 79 F C -1.082 174.923 175.800 0.342 0.000 1.116 79 F CA -0.261 57.903 58.000 0.274 0.000 0.930 79 F CB 1.057 40.193 39.000 0.226 0.000 1.146 79 F HN 0.567 nan 8.300 nan 0.000 0.447 80 H N 5.450 124.129 119.070 -0.651 0.000 3.137 80 H HA 0.233 4.789 4.556 -0.000 0.000 0.336 80 H C -1.699 173.289 175.328 -0.567 0.000 1.055 80 H CA -0.612 55.117 56.048 -0.531 0.000 1.349 80 H CB 1.805 31.323 29.762 -0.406 0.000 1.939 80 H HN 0.812 nan 8.280 nan 0.000 0.487 81 E N 6.361 125.932 120.200 -1.048 0.000 2.197 81 E HA 0.297 4.647 4.350 -0.000 0.000 0.281 81 E C -2.575 173.667 176.600 -0.597 0.000 0.995 81 E CA -2.241 53.788 56.400 -0.617 0.000 0.808 81 E CB 1.732 31.222 29.700 -0.349 0.000 1.093 81 E HN 0.353 nan 8.360 nan 0.000 0.394 82 P HA -0.125 nan 4.420 nan 0.000 0.264 82 P C 0.805 178.097 177.300 -0.014 0.000 1.183 82 P CA 1.191 64.302 63.100 0.018 0.000 0.763 82 P CB 0.753 32.487 31.700 0.056 0.000 0.807 83 G N 1.532 110.375 108.800 0.073 0.000 2.336 83 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.233 83 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.233 83 G C 0.582 175.515 174.900 0.055 0.000 1.053 83 G CA 0.371 45.503 45.100 0.054 0.000 0.625 83 G HN 0.832 nan 8.290 nan 0.000 0.511 84 S N 0.414 116.098 115.700 -0.027 0.000 2.596 84 S HA 0.508 4.978 4.470 -0.000 0.000 0.260 84 S C 1.691 176.373 174.600 0.137 0.000 1.336 84 S CA 1.125 59.321 58.200 -0.007 0.000 0.993 84 S CB 1.074 64.190 63.200 -0.141 0.000 0.923 84 S HN 1.675 nan 8.310 nan 0.000 0.567 85 S N 0.856 116.634 115.700 0.130 0.000 2.559 85 S HA 0.340 4.810 4.470 -0.000 0.000 0.226 85 S C 0.088 174.798 174.600 0.183 0.000 1.000 85 S CA -0.511 57.804 58.200 0.193 0.000 0.948 85 S CB 0.122 63.407 63.200 0.142 0.000 0.870 85 S HN 0.400 nan 8.310 nan 0.000 0.497 86 S N 1.138 116.905 115.700 0.111 0.000 2.565 86 S HA 0.745 5.215 4.470 -0.000 0.000 0.290 86 S C -0.745 173.892 174.600 0.062 0.000 1.150 86 S CA -0.550 57.659 58.200 0.016 0.000 1.058 86 S CB 1.782 64.934 63.200 -0.081 0.000 1.032 86 S HN 0.263 nan 8.310 nan 0.000 0.510 87 V N 2.517 122.434 119.914 0.004 0.000 2.623 87 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 87 V C -1.482 174.693 176.094 0.135 0.000 1.054 87 V CA -0.710 61.665 62.300 0.124 0.000 0.882 87 V CB 1.380 33.281 31.823 0.130 0.000 1.002 87 V HN 0.926 nan 8.190 nan 0.000 0.424 88 W N 3.549 125.070 121.300 0.367 0.000 2.520 88 W HA 0.778 5.438 4.660 -0.000 0.000 0.323 88 W C -0.528 176.247 176.519 0.426 0.000 1.062 88 W CA -0.764 56.824 57.345 0.405 0.000 1.215 88 W CB 1.752 31.438 29.460 0.376 0.000 1.340 88 W HN 0.282 nan 8.180 nan 0.000 0.516 89 V N 2.753 123.078 119.914 0.685 0.000 2.569 89 V HA 0.607 4.726 4.120 -0.000 0.000 0.301 89 V C 0.203 176.585 176.094 0.479 0.000 1.044 89 V CA -0.993 61.646 62.300 0.565 0.000 0.874 89 V CB 1.477 33.688 31.823 0.648 0.000 1.002 89 V HN 0.697 nan 8.190 nan 0.000 0.424 90 G N 2.633 111.640 108.800 0.345 0.000 2.339 90 G HA2 0.602 4.562 3.960 -0.000 0.000 0.287 90 G HA3 0.602 4.562 3.960 -0.000 0.000 0.287 90 G C 0.274 175.310 174.900 0.228 0.000 1.163 90 G CA 0.496 45.746 45.100 0.251 0.000 0.872 90 G HN 1.019 nan 8.290 nan 0.000 0.464 91 G N 1.121 110.037 108.800 0.193 0.000 3.264 91 G HA2 0.486 4.446 3.960 -0.000 0.000 0.168 91 G HA3 0.486 4.446 3.960 -0.000 0.000 0.168 91 G C -0.316 174.664 174.900 0.133 0.000 1.145 91 G CA -0.851 44.362 45.100 0.189 0.000 0.855 91 G HN 0.640 nan 8.290 nan 0.000 0.629 92 R N 0.496 121.026 120.500 0.049 0.000 2.220 92 R HA 0.430 4.770 4.340 -0.000 0.000 0.340 92 R C 0.910 177.073 176.300 -0.229 0.000 1.076 92 R CA 0.814 56.781 56.100 -0.222 0.000 0.920 92 R CB -0.038 30.154 30.300 -0.180 0.000 1.062 92 R HN 1.260 nan 8.270 nan 0.000 0.469 93 G N 3.918 112.554 108.800 -0.275 0.000 2.168 93 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.257 93 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.257 93 G C -0.380 174.372 174.900 -0.247 0.000 0.997 93 G CA 1.196 46.148 45.100 -0.246 0.000 0.708 93 G HN 0.698 nan 8.290 nan 0.000 0.520 94 K N -3.146 117.112 120.400 -0.237 0.000 2.755 94 K HA 0.720 5.040 4.320 -0.000 0.000 0.294 94 K C -1.636 174.842 176.600 -0.203 0.000 1.060 94 K CA -0.697 55.429 56.287 -0.269 0.000 0.845 94 K CB 1.751 34.035 32.500 -0.360 0.000 1.539 94 K HN 1.008 nan 8.250 nan 0.000 0.379 95 V N 1.789 121.597 119.914 -0.177 0.000 2.524 95 V HA 0.446 4.566 4.120 -0.000 0.000 0.297 95 V C -1.761 174.355 176.094 0.036 0.000 1.035 95 V CA -0.460 61.858 62.300 0.030 0.000 0.867 95 V CB 0.685 32.591 31.823 0.139 0.000 1.004 95 V HN 0.673 nan 8.190 nan 0.000 0.426 96 Y N 6.162 126.542 120.300 0.134 0.000 2.359 96 Y HA 0.511 5.061 4.550 -0.000 0.000 0.330 96 Y C 0.144 176.030 175.900 -0.023 0.000 1.143 96 Y CA -0.157 57.948 58.100 0.008 0.000 1.318 96 Y CB 1.421 39.918 38.460 0.062 0.000 1.234 96 Y HN 0.631 nan 8.280 nan 0.000 0.522 97 L N 5.109 126.234 121.223 -0.164 0.000 2.316 97 L HA 0.548 4.888 4.340 -0.000 0.000 0.280 97 L C -1.681 174.928 176.870 -0.435 0.000 1.006 97 L CA -0.663 53.894 54.840 -0.472 0.000 0.836 97 L CB -0.203 41.489 42.059 -0.613 0.000 1.221 97 L HN 0.377 nan 8.230 nan 0.000 0.418 98 F N 2.676 122.495 119.950 -0.218 0.000 2.432 98 F HA 0.495 5.022 4.527 -0.000 0.000 0.329 98 F C 0.111 175.775 175.800 -0.227 0.000 1.076 98 F CA -0.292 57.611 58.000 -0.161 0.000 1.018 98 F CB 1.639 40.666 39.000 0.044 0.000 1.201 98 F HN 0.483 nan 8.300 nan 0.000 0.489 99 D N 1.422 121.736 120.400 -0.143 0.000 2.593 99 D HA 0.391 5.031 4.640 -0.000 0.000 0.251 99 D C -1.475 174.653 176.300 -0.286 0.000 1.140 99 D CA -0.234 53.689 54.000 -0.127 0.000 0.855 99 D CB 0.710 41.438 40.800 -0.120 0.000 1.267 99 D HN 0.229 nan 8.370 nan 0.000 0.532 100 F N 4.845 124.854 119.950 0.098 0.000 2.449 100 F HA 0.319 4.846 4.527 -0.000 0.000 0.329 100 F C -1.929 173.930 175.800 0.098 0.000 1.245 100 F CA -1.737 56.333 58.000 0.117 0.000 1.193 100 F CB 1.394 40.505 39.000 0.184 0.000 1.425 100 F HN 0.111 nan 8.300 nan 0.000 0.544 101 P HA -0.005 nan 4.420 nan 0.000 0.271 101 P C -0.062 177.310 177.300 0.120 0.000 1.233 101 P CA -0.047 63.120 63.100 0.111 0.000 0.764 101 P CB 1.068 32.798 31.700 0.051 0.000 0.825 102 E N 3.365 123.634 120.200 0.114 0.000 2.652 102 E HA 0.150 4.500 4.350 -0.000 0.000 0.255 102 E C 1.540 178.178 176.600 0.064 0.000 0.952 102 E CA 1.695 58.153 56.400 0.096 0.000 0.947 102 E CB -0.791 28.954 29.700 0.076 0.000 0.912 102 E HN 0.767 nan 8.360 nan 0.000 0.489 103 G N 3.433 112.269 108.800 0.060 0.000 2.166 103 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.260 103 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.260 103 G C 0.257 175.155 174.900 -0.004 0.000 0.986 103 G CA 0.946 46.053 45.100 0.011 0.000 0.683 103 G HN 0.615 nan 8.290 nan 0.000 0.527 104 K N -0.659 119.757 120.400 0.027 0.000 2.480 104 K HA 0.538 4.858 4.320 -0.000 0.000 0.258 104 K C 0.024 176.638 176.600 0.023 0.000 0.990 104 K CA -0.973 55.321 56.287 0.011 0.000 0.857 104 K CB 0.739 33.244 32.500 0.008 0.000 1.384 104 K HN 0.041 nan 8.250 nan 0.000 0.446 105 N N 0.790 119.490 118.700 -0.000 0.000 2.353 105 N HA 0.115 4.855 4.740 -0.000 0.000 0.248 105 N C -0.957 174.530 175.510 -0.039 0.000 1.240 105 N CA 0.469 53.513 53.050 -0.010 0.000 0.862 105 N CB 0.866 39.339 38.487 -0.024 0.000 1.086 105 N HN 0.598 nan 8.380 nan 0.000 0.453 106 A N 0.938 123.712 122.820 -0.077 0.000 2.281 106 A HA 0.820 5.140 4.320 -0.000 0.000 0.329 106 A C -0.141 177.311 177.584 -0.220 0.000 1.122 106 A CA -0.358 51.535 52.037 -0.239 0.000 0.850 106 A CB 0.691 19.380 19.000 -0.520 0.000 1.207 106 A HN 0.733 nan 8.150 nan 0.000 0.495 107 S N -1.357 114.181 115.700 -0.271 0.000 2.643 107 S HA 0.740 5.210 4.470 -0.000 0.000 0.270 107 S C -0.535 173.948 174.600 -0.195 0.000 1.166 107 S CA -0.122 57.975 58.200 -0.172 0.000 0.815 107 S CB 0.556 63.679 63.200 -0.129 0.000 1.139 107 S HN 1.481 nan 8.310 nan 0.000 0.472 108 V N -0.853 118.940 119.914 -0.203 0.000 3.345 108 V HA 0.907 5.027 4.120 -0.000 0.000 0.308 108 V C -0.279 175.663 176.094 -0.252 0.000 1.168 108 V CA -1.040 61.043 62.300 -0.363 0.000 1.024 108 V CB 1.242 32.870 31.823 -0.326 0.000 1.211 108 V HN 1.032 nan 8.190 nan 0.000 0.461 109 R N 1.004 121.350 120.500 -0.257 0.000 4.200 109 R HA 0.269 4.609 4.340 -0.000 0.000 0.288 109 R C -1.009 175.191 176.300 -0.166 0.000 1.035 109 R CA 0.145 56.142 56.100 -0.172 0.000 1.305 109 R CB 1.231 31.429 30.300 -0.170 0.000 1.269 109 R HN 1.171 nan 8.270 nan 0.000 0.508 110 T N -0.168 114.296 114.554 -0.151 0.000 2.799 110 T HA 0.560 4.910 4.350 -0.000 0.000 0.286 110 T C -0.150 174.447 174.700 -0.172 0.000 0.973 110 T CA -0.442 61.516 62.100 -0.237 0.000 1.035 110 T CB 1.251 69.938 68.868 -0.301 0.000 0.932 110 T HN 0.101 nan 8.240 nan 0.000 0.469 111 V N 4.919 124.736 119.914 -0.163 0.000 2.266 111 V HA 0.314 4.434 4.120 -0.000 0.000 0.271 111 V C -0.004 175.992 176.094 -0.163 0.000 1.032 111 V CA -1.114 61.124 62.300 -0.103 0.000 0.806 111 V CB 0.056 31.878 31.823 -0.002 0.000 1.052 111 V HN 0.905 nan 8.190 nan 0.000 0.449 112 N N 4.225 122.821 118.700 -0.172 0.000 2.447 112 N HA 0.289 5.029 4.740 -0.000 0.000 0.263 112 N C -0.119 175.254 175.510 -0.228 0.000 1.226 112 N CA 0.359 53.290 53.050 -0.198 0.000 0.906 112 N CB 0.564 38.956 38.487 -0.159 0.000 1.060 112 N HN 0.598 nan 8.380 nan 0.000 0.468 113 I N 1.237 121.622 120.570 -0.308 0.000 2.953 113 I HA 0.247 4.417 4.170 -0.000 0.000 0.325 113 I C 1.006 176.864 176.117 -0.432 0.000 1.421 113 I CA -0.591 60.426 61.300 -0.470 0.000 0.845 113 I CB 0.429 37.991 38.000 -0.730 0.000 2.186 113 I HN 0.500 nan 8.210 nan 0.000 0.604 114 G N 1.296 109.939 108.800 -0.262 0.000 2.720 114 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.237 114 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.237 114 G C 1.085 175.904 174.900 -0.135 0.000 1.239 114 G CA 0.049 45.038 45.100 -0.184 0.000 0.847 114 G HN 0.611 nan 8.290 nan 0.000 0.593 115 S N -0.829 114.823 115.700 -0.080 0.000 2.805 115 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 115 S C 1.005 175.630 174.600 0.041 0.000 0.968 115 S CA 0.548 58.750 58.200 0.003 0.000 0.976 115 S CB -0.486 62.716 63.200 0.003 0.000 0.787 115 S HN 0.474 nan 8.310 nan 0.000 0.533 116 T N 2.922 117.488 114.554 0.019 0.000 3.738 116 T HA 0.190 4.540 4.350 -0.000 0.000 0.231 116 T C 0.426 175.171 174.700 0.075 0.000 0.967 116 T CA 0.275 62.394 62.100 0.033 0.000 1.227 116 T CB -0.552 68.322 68.868 0.011 0.000 1.136 116 T HN 0.501 nan 8.240 nan 0.000 0.807 117 K N 1.096 121.539 120.400 0.071 0.000 2.887 117 K HA 0.329 4.649 4.320 -0.000 0.000 0.165 117 K C 0.230 176.839 176.600 0.014 0.000 1.121 117 K CA -0.191 56.132 56.287 0.059 0.000 1.128 117 K CB 0.514 33.081 32.500 0.111 0.000 0.763 117 K HN 0.586 nan 8.250 nan 0.000 0.422 118 G N 1.466 110.277 108.800 0.019 0.000 2.441 118 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.233 118 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.233 118 G C -0.613 174.310 174.900 0.039 0.000 1.703 118 G CA -0.296 44.808 45.100 0.008 0.000 1.020 118 G HN 0.103 nan 8.290 nan 0.000 0.600 119 S N -0.402 115.317 115.700 0.031 0.000 2.549 119 S HA 0.383 4.852 4.470 -0.000 0.000 0.286 119 S C 1.314 175.938 174.600 0.040 0.000 1.314 119 S CA 0.186 58.407 58.200 0.034 0.000 1.062 119 S CB -0.107 63.105 63.200 0.020 0.000 0.865 119 S HN 0.831 nan 8.310 nan 0.000 0.498 120 c N 5.914 124.544 118.600 0.049 0.000 2.605 120 c HA 0.382 4.952 4.570 -0.000 0.000 0.404 120 c C 0.729 174.842 174.090 0.037 0.000 1.284 120 c CA -0.867 55.493 56.329 0.051 0.000 2.199 120 c CB -0.761 41.785 42.510 0.060 0.000 2.647 120 c HN 0.752 nan 8.230 nan 0.000 0.604 121 L N 1.941 123.185 121.223 0.035 0.000 2.399 121 L HA 0.293 4.633 4.340 -0.000 0.000 0.266 121 L C 0.346 177.233 176.870 0.029 0.000 1.114 121 L CA 0.196 55.052 54.840 0.027 0.000 0.804 121 L CB 0.451 42.524 42.059 0.023 0.000 1.146 121 L HN 0.896 nan 8.230 nan 0.000 0.451 122 D N 1.883 122.298 120.400 0.025 0.000 3.133 122 D HA -0.205 4.435 4.640 -0.000 0.000 0.239 122 D C -0.096 176.223 176.300 0.031 0.000 1.136 122 D CA 0.587 54.603 54.000 0.026 0.000 0.898 122 D CB -0.196 40.620 40.800 0.026 0.000 0.959 122 D HN 0.443 nan 8.370 nan 0.000 0.415 123 K N 1.991 122.409 120.400 0.030 0.000 2.447 123 K HA 0.166 4.486 4.320 -0.000 0.000 0.281 123 K C 1.076 177.698 176.600 0.038 0.000 1.031 123 K CA 0.226 56.533 56.287 0.033 0.000 1.019 123 K CB 0.492 33.008 32.500 0.028 0.000 0.918 123 K HN 0.432 nan 8.250 nan 0.000 0.476 124 R N 1.675 122.202 120.500 0.045 0.000 4.019 124 R HA 0.049 4.389 4.340 -0.000 0.000 0.140 124 R C -0.560 175.779 176.300 0.065 0.000 1.486 124 R CA 0.197 56.328 56.100 0.052 0.000 1.119 124 R CB 0.306 30.636 30.300 0.051 0.000 1.357 124 R HN 0.728 nan 8.270 nan 0.000 0.449 125 D N -0.210 120.235 120.400 0.075 0.000 2.945 125 D HA 0.141 4.781 4.640 -0.000 0.000 0.340 125 D C -0.692 175.668 176.300 0.100 0.000 1.240 125 D CA -0.376 53.685 54.000 0.101 0.000 0.749 125 D CB -0.045 40.829 40.800 0.123 0.000 1.217 125 D HN 0.093 nan 8.370 nan 0.000 0.514 126 c N 1.552 120.194 118.600 0.069 0.000 2.339 126 c HA 0.239 4.809 4.570 -0.000 0.000 0.361 126 c C 0.663 174.768 174.090 0.026 0.000 1.378 126 c CA -0.624 55.744 56.329 0.066 0.000 1.763 126 c CB -1.287 41.262 42.510 0.066 0.000 2.632 126 c HN 0.338 nan 8.230 nan 0.000 0.576 127 E N 1.327 121.516 120.200 -0.017 0.000 2.351 127 E HA 0.098 4.448 4.350 -0.000 0.000 0.255 127 E C -0.157 176.355 176.600 -0.147 0.000 1.188 127 E CA -0.157 56.137 56.400 -0.176 0.000 0.940 127 E CB 0.645 30.059 29.700 -0.476 0.000 1.094 127 E HN 0.322 nan 8.360 nan 0.000 0.474 128 N N 0.572 119.132 118.700 -0.234 0.000 2.918 128 N HA 0.071 4.811 4.740 -0.000 0.000 0.270 128 N C -1.713 173.716 175.510 -0.135 0.000 1.536 128 N CA -0.206 52.780 53.050 -0.107 0.000 0.877 128 N CB -0.353 38.070 38.487 -0.106 0.000 1.190 128 N HN 0.249 nan 8.380 nan 0.000 0.492 129 Y N 1.660 121.974 120.300 0.025 0.000 2.605 129 Y HA 0.131 4.681 4.550 -0.000 0.000 0.336 129 Y C 0.928 176.854 175.900 0.045 0.000 1.111 129 Y CA 0.063 58.183 58.100 0.034 0.000 1.422 129 Y CB 0.344 38.822 38.460 0.031 0.000 1.193 129 Y HN 0.286 nan 8.280 nan 0.000 0.526 130 I N 4.394 125.070 120.570 0.177 0.000 2.363 130 I HA 0.016 4.186 4.170 -0.000 0.000 0.292 130 I C 0.889 177.114 176.117 0.181 0.000 1.075 130 I CA 0.137 61.522 61.300 0.143 0.000 1.333 130 I CB 0.666 38.713 38.000 0.078 0.000 1.415 130 I HN 0.739 nan 8.210 nan 0.000 0.502 131 T N 3.645 118.300 114.554 0.168 0.000 3.054 131 T HA 0.292 4.642 4.350 -0.000 0.000 0.255 131 T C -0.092 174.696 174.700 0.147 0.000 1.035 131 T CA -0.212 61.979 62.100 0.152 0.000 0.941 131 T CB 0.168 69.107 68.868 0.118 0.000 1.026 131 T HN 0.295 nan 8.240 nan 0.000 0.533 132 L N 0.646 121.956 121.223 0.146 0.000 2.466 132 L HA 0.732 5.072 4.340 -0.000 0.000 0.258 132 L C -2.183 174.732 176.870 0.075 0.000 0.973 132 L CA -1.521 53.401 54.840 0.136 0.000 0.826 132 L CB 2.184 44.344 42.059 0.169 0.000 1.372 132 L HN 0.183 nan 8.230 nan 0.000 0.409 133 L N 3.677 124.901 121.223 0.002 0.000 2.611 133 L HA 0.554 4.894 4.340 -0.000 0.000 0.263 133 L C -1.300 175.258 176.870 -0.520 0.000 0.969 133 L CA -0.353 54.356 54.840 -0.218 0.000 0.894 133 L CB 1.997 43.990 42.059 -0.109 0.000 1.229 133 L HN 0.677 nan 8.230 nan 0.000 0.416 134 E N 2.848 122.687 120.200 -0.601 0.000 2.293 134 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 134 E C -1.044 175.120 176.600 -0.727 0.000 0.879 134 E CA -0.766 55.210 56.400 -0.708 0.000 0.756 134 E CB 2.100 31.398 29.700 -0.671 0.000 1.208 134 E HN 0.455 nan 8.360 nan 0.000 0.428 135 R N 3.668 123.803 120.500 -0.608 0.000 2.255 135 R HA 0.522 4.862 4.340 -0.000 0.000 0.326 135 R C -0.619 175.534 176.300 -0.245 0.000 0.986 135 R CA -0.622 55.266 56.100 -0.353 0.000 0.847 135 R CB 0.600 30.847 30.300 -0.090 0.000 1.111 135 R HN 0.339 nan 8.270 nan 0.000 0.452 136 R N 1.785 122.149 120.500 -0.226 0.000 2.923 136 R HA 0.246 4.586 4.340 -0.000 0.000 0.252 136 R C 0.924 177.166 176.300 -0.097 0.000 1.130 136 R CA -0.608 55.393 56.100 -0.167 0.000 1.043 136 R CB 0.910 31.101 30.300 -0.183 0.000 1.205 136 R HN 0.865 nan 8.270 nan 0.000 0.495 137 S N -0.345 115.316 115.700 -0.064 0.000 2.447 137 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 137 S C 0.864 175.437 174.600 -0.045 0.000 1.006 137 S CA 1.039 59.215 58.200 -0.039 0.000 0.957 137 S CB -0.090 63.096 63.200 -0.023 0.000 0.773 137 S HN 0.555 nan 8.310 nan 0.000 0.507 138 E N 1.236 121.399 120.200 -0.062 0.000 2.435 138 E HA 0.452 4.802 4.350 -0.000 0.000 0.195 138 E C 1.102 177.658 176.600 -0.072 0.000 1.029 138 E CA 0.505 56.869 56.400 -0.061 0.000 0.865 138 E CB 0.213 29.872 29.700 -0.068 0.000 0.833 138 E HN 0.680 nan 8.360 nan 0.000 0.510 139 G N -0.053 108.691 108.800 -0.093 0.000 2.293 139 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.282 139 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.282 139 G C -1.827 172.963 174.900 -0.183 0.000 1.299 139 G CA -0.842 44.191 45.100 -0.112 0.000 1.018 139 G HN 0.050 nan 8.290 nan 0.000 0.478 140 L N 0.824 121.904 121.223 -0.238 0.000 2.295 140 L HA 0.719 5.059 4.340 -0.000 0.000 0.288 140 L C 0.230 176.913 176.870 -0.311 0.000 1.079 140 L CA -0.671 53.946 54.840 -0.371 0.000 0.830 140 L CB 0.687 42.405 42.059 -0.568 0.000 1.200 140 L HN 0.764 nan 8.230 nan 0.000 0.438 141 L N 5.761 126.799 121.223 -0.308 0.000 2.367 141 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 141 L C -0.173 176.597 176.870 -0.167 0.000 1.129 141 L CA 0.223 54.939 54.840 -0.207 0.000 0.839 141 L CB 0.802 42.729 42.059 -0.220 0.000 1.133 141 L HN 0.738 nan 8.230 nan 0.000 0.453 142 A N 5.162 127.964 122.820 -0.030 0.000 2.357 142 A HA 0.651 4.971 4.320 -0.000 0.000 0.295 142 A C -0.804 176.910 177.584 0.217 0.000 1.121 142 A CA -0.558 51.507 52.037 0.047 0.000 0.742 142 A CB 0.527 19.537 19.000 0.017 0.000 1.181 142 A HN 0.768 nan 8.150 nan 0.000 0.454 143 c N 1.392 120.109 118.600 0.196 0.000 2.391 143 c HA 0.993 5.563 4.570 -0.000 0.000 0.339 143 c C 0.960 175.212 174.090 0.270 0.000 1.205 143 c CA -0.053 56.428 56.329 0.252 0.000 1.937 143 c CB 1.147 43.772 42.510 0.193 0.000 2.341 143 c HN 1.156 nan 8.230 nan 0.000 0.516 144 G N 0.225 109.236 108.800 0.352 0.000 2.695 144 G HA2 0.536 4.495 3.960 -0.000 0.000 0.290 144 G HA3 0.536 4.495 3.960 -0.000 0.000 0.290 144 G C 0.566 175.594 174.900 0.213 0.000 1.410 144 G CA 0.423 45.686 45.100 0.271 0.000 0.844 144 G HN 0.749 nan 8.290 nan 0.000 0.478 145 T N -1.720 112.935 114.554 0.167 0.000 2.788 145 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 145 T C 1.132 175.913 174.700 0.135 0.000 1.044 145 T CA 1.396 63.561 62.100 0.108 0.000 1.139 145 T CB -0.404 68.555 68.868 0.152 0.000 0.867 145 T HN 1.153 nan 8.240 nan 0.000 0.454 146 N N 1.487 120.303 118.700 0.193 0.000 2.641 146 N HA -0.270 4.470 4.740 -0.000 0.000 0.267 146 N C 0.270 175.904 175.510 0.206 0.000 1.087 146 N CA 0.556 53.743 53.050 0.229 0.000 0.731 146 N CB -1.496 37.188 38.487 0.328 0.000 0.886 146 N HN 1.265 nan 8.380 nan 0.000 0.547 147 A N 2.194 125.109 122.820 0.158 0.000 2.312 147 A HA -0.252 4.068 4.320 -0.000 0.000 0.286 147 A C 1.064 178.742 177.584 0.156 0.000 1.425 147 A CA 1.921 54.055 52.037 0.162 0.000 0.748 147 A CB -1.277 17.829 19.000 0.177 0.000 1.126 147 A HN 0.914 nan 8.150 nan 0.000 0.368 148 R N -1.488 119.080 120.500 0.112 0.000 3.863 148 R HA -0.210 4.130 4.340 -0.000 0.000 0.313 148 R C -0.386 175.847 176.300 -0.112 0.000 1.202 148 R CA 1.428 57.580 56.100 0.087 0.000 0.852 148 R CB -1.907 28.425 30.300 0.054 0.000 1.292 148 R HN 0.904 nan 8.270 nan 0.000 0.519 149 H N -0.821 118.314 119.070 0.109 0.000 2.380 149 H HA 0.202 4.758 4.556 -0.000 0.000 0.231 149 H C -2.495 172.808 175.328 -0.041 0.000 1.415 149 H CA -2.182 53.899 56.048 0.056 0.000 1.433 149 H CB 1.230 31.030 29.762 0.064 0.000 1.544 149 H HN -0.055 nan 8.280 nan 0.000 0.503 150 P HA -0.094 nan 4.420 nan 0.000 0.255 150 P C -0.311 176.925 177.300 -0.107 0.000 1.151 150 P CA 1.063 64.071 63.100 -0.153 0.000 0.767 150 P CB 0.556 32.036 31.700 -0.366 0.000 0.736 151 S N 1.855 117.488 115.700 -0.112 0.000 2.651 151 S HA 0.697 5.167 4.470 -0.000 0.000 0.279 151 S C -0.836 173.514 174.600 -0.417 0.000 1.148 151 S CA -0.538 57.452 58.200 -0.350 0.000 0.837 151 S CB 1.341 64.205 63.200 -0.560 0.000 1.138 151 S HN 0.371 nan 8.310 nan 0.000 0.478 152 c N 1.029 119.239 118.600 -0.649 0.000 2.889 152 c HA 0.752 5.322 4.570 -0.000 0.000 0.307 152 c C -0.973 172.757 174.090 -0.600 0.000 1.251 152 c CA -0.668 55.431 56.329 -0.384 0.000 1.593 152 c CB 0.998 43.333 42.510 -0.292 0.000 2.104 152 c HN 0.840 nan 8.230 nan 0.000 0.476 153 W N 0.783 122.018 121.300 -0.109 0.000 2.975 153 W HA 0.421 5.081 4.660 -0.000 0.000 0.342 153 W C -0.684 175.761 176.519 -0.124 0.000 1.168 153 W CA -0.363 56.921 57.345 -0.103 0.000 1.141 153 W CB 1.831 31.243 29.460 -0.081 0.000 1.445 153 W HN 0.596 nan 8.180 nan 0.000 0.560 154 N N 1.265 120.034 118.700 0.115 0.000 2.296 154 N HA 0.504 5.244 4.740 -0.000 0.000 0.294 154 N C -1.723 173.785 175.510 -0.003 0.000 1.033 154 N CA -0.327 52.722 53.050 -0.002 0.000 0.839 154 N CB 1.224 39.684 38.487 -0.046 0.000 1.395 154 N HN 0.305 nan 8.380 nan 0.000 0.479 155 L N 3.686 124.867 121.223 -0.069 0.000 2.294 155 L HA 0.480 4.820 4.340 -0.000 0.000 0.283 155 L C 0.394 177.217 176.870 -0.078 0.000 1.015 155 L CA -0.645 54.151 54.840 -0.073 0.000 0.831 155 L CB 1.379 43.353 42.059 -0.141 0.000 1.217 155 L HN 0.382 nan 8.230 nan 0.000 0.420 156 V N 1.021 120.916 119.914 -0.032 0.000 2.784 156 V HA 0.186 4.306 4.120 -0.000 0.000 0.231 156 V C 0.471 176.571 176.094 0.009 0.000 1.128 156 V CA 0.282 62.569 62.300 -0.022 0.000 1.178 156 V CB 0.118 31.930 31.823 -0.018 0.000 0.943 156 V HN 0.728 nan 8.190 nan 0.000 0.500 157 N N 0.690 119.400 118.700 0.017 0.000 2.790 157 N HA 0.364 5.104 4.740 -0.000 0.000 0.256 157 N C 0.767 176.298 175.510 0.034 0.000 1.409 157 N CA 0.734 53.803 53.050 0.031 0.000 0.799 157 N CB 1.129 39.629 38.487 0.022 0.000 1.170 157 N HN 0.644 nan 8.380 nan 0.000 0.507 158 G N 1.307 110.139 108.800 0.052 0.000 2.203 158 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.263 158 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.263 158 G C 0.310 175.227 174.900 0.029 0.000 1.012 158 G CA 1.237 46.366 45.100 0.047 0.000 0.749 158 G HN 0.589 nan 8.290 nan 0.000 0.512 159 T N -3.184 111.385 114.554 0.024 0.000 2.918 159 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 159 T C -0.361 174.351 174.700 0.020 0.000 1.026 159 T CA -0.589 61.522 62.100 0.017 0.000 1.031 159 T CB 2.920 71.796 68.868 0.014 0.000 1.046 159 T HN 0.687 nan 8.240 nan 0.000 0.479 160 V N 2.573 122.505 119.914 0.029 0.000 2.315 160 V HA 0.291 4.411 4.120 -0.000 0.000 0.265 160 V C -0.242 175.928 176.094 0.127 0.000 1.019 160 V CA -0.781 61.553 62.300 0.058 0.000 0.824 160 V CB 0.883 32.707 31.823 0.001 0.000 1.072 160 V HN 0.876 nan 8.190 nan 0.000 0.448 161 V N 6.855 126.836 119.914 0.111 0.000 2.408 161 V HA 0.317 4.437 4.120 -0.000 0.000 0.267 161 V C -1.734 174.417 176.094 0.094 0.000 1.047 161 V CA -1.520 60.829 62.300 0.082 0.000 0.937 161 V CB 1.382 33.215 31.823 0.016 0.000 0.999 161 V HN 0.560 nan 8.190 nan 0.000 0.472 162 P HA 0.231 nan 4.420 nan 0.000 0.278 162 P C -0.318 176.803 177.300 -0.299 0.000 1.238 162 P CA -0.262 62.677 63.100 -0.269 0.000 0.794 162 P CB 1.733 33.312 31.700 -0.201 0.000 0.955 163 L N 0.890 121.844 121.223 -0.448 0.000 2.766 163 L HA 0.314 4.654 4.340 -0.000 0.000 0.242 163 L C 1.463 178.123 176.870 -0.349 0.000 1.136 163 L CA 0.510 55.154 54.840 -0.328 0.000 0.933 163 L CB -1.366 40.505 42.059 -0.312 0.000 1.241 163 L HN 0.761 nan 8.230 nan 0.000 0.522 164 G N 0.967 109.497 108.800 -0.450 0.000 2.741 164 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.222 164 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.222 164 G C -0.142 174.541 174.900 -0.362 0.000 1.364 164 G CA -0.665 44.218 45.100 -0.362 0.000 0.866 164 G HN 0.277 nan 8.290 nan 0.000 0.555 165 E N -0.099 119.960 120.200 -0.235 0.000 2.480 165 E HA 0.295 4.644 4.350 -0.000 0.000 0.258 165 E C 0.303 176.800 176.600 -0.171 0.000 0.984 165 E CA 0.725 57.024 56.400 -0.169 0.000 0.930 165 E CB 0.238 29.897 29.700 -0.068 0.000 0.936 165 E HN 0.390 nan 8.360 nan 0.000 0.466 166 M N 4.027 123.524 119.600 -0.171 0.000 1.996 166 M HA 0.196 4.676 4.480 -0.000 0.000 0.268 166 M C -0.733 175.579 176.300 0.020 0.000 0.888 166 M CA -0.481 54.734 55.300 -0.141 0.000 0.939 166 M CB 1.262 33.615 32.600 -0.413 0.000 1.736 166 M HN 0.294 nan 8.290 nan 0.000 0.407 167 R N 0.357 120.873 120.500 0.026 0.000 2.590 167 R HA 0.580 4.920 4.340 -0.000 0.000 0.274 167 R C 0.897 177.225 176.300 0.046 0.000 1.061 167 R CA 0.517 56.621 56.100 0.006 0.000 1.081 167 R CB 0.043 30.353 30.300 0.016 0.000 0.984 167 R HN 0.889 nan 8.270 nan 0.000 0.448 168 G N 1.126 109.898 108.800 -0.047 0.000 2.195 168 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.246 168 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.246 168 G C 0.247 175.007 174.900 -0.233 0.000 0.984 168 G CA 0.213 45.226 45.100 -0.144 0.000 0.633 168 G HN 0.717 nan 8.290 nan 0.000 0.525 169 Y N 0.849 121.068 120.300 -0.134 0.000 2.481 169 Y HA 0.615 5.165 4.550 -0.000 0.000 0.258 169 Y C 1.424 177.284 175.900 -0.066 0.000 1.103 169 Y CA 1.002 59.049 58.100 -0.089 0.000 1.287 169 Y CB 0.918 39.345 38.460 -0.055 0.000 1.108 169 Y HN 0.765 nan 8.280 nan 0.000 0.529 170 A N 0.249 123.078 122.820 0.014 0.000 2.577 170 A HA 0.497 4.817 4.320 -0.000 0.000 0.297 170 A C -2.857 174.639 177.584 -0.147 0.000 1.060 170 A CA -1.446 50.579 52.037 -0.020 0.000 0.697 170 A CB 0.926 19.947 19.000 0.036 0.000 1.281 170 A HN -0.191 nan 8.150 nan 0.000 0.402 171 P HA 0.315 nan 4.420 nan 0.000 0.282 171 P C 0.064 177.228 177.300 -0.227 0.000 1.286 171 P CA 0.039 63.073 63.100 -0.111 0.000 0.777 171 P CB 0.400 32.108 31.700 0.014 0.000 1.184 172 F N -1.548 118.405 119.950 0.005 0.000 2.714 172 F HA 0.181 4.708 4.527 -0.000 0.000 0.294 172 F C 1.583 177.387 175.800 0.008 0.000 1.120 172 F CA 0.515 58.515 58.000 0.000 0.000 1.398 172 F CB 0.237 39.222 39.000 -0.024 0.000 1.120 172 F HN 0.179 nan 8.300 nan 0.000 0.589 173 S N 0.582 116.370 115.700 0.147 0.000 2.575 173 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 173 S C -1.975 172.581 174.600 -0.073 0.000 1.139 173 S CA -1.502 56.719 58.200 0.035 0.000 0.954 173 S CB 1.640 64.860 63.200 0.033 0.000 1.054 173 S HN -0.190 nan 8.310 nan 0.000 0.483 174 P HA -0.109 nan 4.420 nan 0.000 0.218 174 P C 0.443 177.549 177.300 -0.323 0.000 1.149 174 P CA 1.344 64.212 63.100 -0.386 0.000 0.817 174 P CB -0.405 30.744 31.700 -0.919 0.000 0.785 175 D N -1.016 119.180 120.400 -0.341 0.000 2.348 175 D HA -0.028 4.612 4.640 -0.000 0.000 0.248 175 D C 0.294 176.590 176.300 -0.006 0.000 1.142 175 D CA 0.046 53.982 54.000 -0.107 0.000 0.904 175 D CB -0.591 40.182 40.800 -0.045 0.000 0.901 175 D HN 0.259 nan 8.370 nan 0.000 0.523 176 E N -0.033 120.165 120.200 -0.002 0.000 2.283 176 E HA 0.151 4.501 4.350 -0.000 0.000 0.271 176 E C -0.452 176.194 176.600 0.077 0.000 1.031 176 E CA -0.862 55.566 56.400 0.048 0.000 0.868 176 E CB 0.686 30.422 29.700 0.061 0.000 1.094 176 E HN 0.041 nan 8.360 nan 0.000 0.401 177 N N 1.314 120.078 118.700 0.106 0.000 2.671 177 N HA -0.010 4.730 4.740 -0.000 0.000 0.274 177 N C -1.311 174.300 175.510 0.168 0.000 1.188 177 N CA 0.156 53.297 53.050 0.151 0.000 1.065 177 N CB 0.153 38.745 38.487 0.174 0.000 1.415 177 N HN 0.179 nan 8.380 nan 0.000 0.511 178 S N 2.404 118.176 115.700 0.119 0.000 2.654 178 S HA 0.628 5.098 4.470 -0.000 0.000 0.283 178 S C -0.849 173.789 174.600 0.063 0.000 1.180 178 S CA -0.783 57.459 58.200 0.069 0.000 1.021 178 S CB 1.496 64.722 63.200 0.043 0.000 1.018 178 S HN 0.474 nan 8.310 nan 0.000 0.532 179 L N 2.521 123.728 121.223 -0.026 0.000 2.705 179 L HA 0.560 4.900 4.340 -0.000 0.000 0.260 179 L C -1.693 175.088 176.870 -0.148 0.000 0.921 179 L CA -0.556 54.262 54.840 -0.037 0.000 0.948 179 L CB 1.257 43.299 42.059 -0.028 0.000 1.427 179 L HN 0.663 nan 8.230 nan 0.000 0.432 180 V N 3.178 123.027 119.914 -0.108 0.000 2.760 180 V HA 0.781 4.901 4.120 -0.000 0.000 0.309 180 V C -1.670 174.324 176.094 -0.168 0.000 1.077 180 V CA -0.767 61.387 62.300 -0.242 0.000 0.910 180 V CB 2.157 33.793 31.823 -0.311 0.000 1.008 180 V HN 0.726 nan 8.190 nan 0.000 0.424 181 L N 4.507 125.588 121.223 -0.236 0.000 2.362 181 L HA 0.870 5.210 4.340 -0.000 0.000 0.271 181 L C -1.460 175.281 176.870 -0.216 0.000 1.002 181 L CA -0.341 54.468 54.840 -0.052 0.000 0.818 181 L CB 1.930 44.066 42.059 0.129 0.000 1.298 181 L HN 0.690 nan 8.230 nan 0.000 0.420 182 F N 2.749 122.783 119.950 0.140 0.000 2.495 182 F HA 0.682 5.209 4.527 -0.000 0.000 0.327 182 F C -0.261 175.633 175.800 0.157 0.000 1.103 182 F CA -0.404 57.664 58.000 0.113 0.000 0.949 182 F CB 1.939 40.983 39.000 0.072 0.000 1.142 182 F HN 0.499 nan 8.300 nan 0.000 0.457 183 E N 2.189 122.584 120.200 0.326 0.000 2.404 183 E HA 0.511 4.861 4.350 -0.000 0.000 0.298 183 E C 0.142 176.868 176.600 0.210 0.000 0.908 183 E CA 0.235 56.797 56.400 0.271 0.000 0.808 183 E CB 0.868 30.743 29.700 0.292 0.000 1.380 183 E HN 0.826 nan 8.360 nan 0.000 0.392 184 G N 4.337 113.243 108.800 0.176 0.000 2.583 184 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.292 184 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.292 184 G C 0.096 175.066 174.900 0.117 0.000 1.203 184 G CA 0.251 45.427 45.100 0.126 0.000 0.987 184 G HN 0.593 nan 8.290 nan 0.000 0.554 185 D N 2.889 123.336 120.400 0.079 0.000 2.706 185 D HA 0.329 4.969 4.640 -0.000 0.000 0.236 185 D C 0.466 176.775 176.300 0.016 0.000 1.231 185 D CA 0.535 54.569 54.000 0.057 0.000 0.828 185 D CB 0.142 40.962 40.800 0.033 0.000 1.015 185 D HN 0.532 nan 8.370 nan 0.000 0.484 186 E N -0.041 120.158 120.200 -0.002 0.000 2.288 186 E HA 0.508 4.858 4.350 -0.000 0.000 0.268 186 E C -0.545 175.864 176.600 -0.319 0.000 0.885 186 E CA -1.066 55.220 56.400 -0.190 0.000 0.767 186 E CB 3.040 32.620 29.700 -0.199 0.000 1.220 186 E HN -0.075 nan 8.360 nan 0.000 0.427 187 V N -0.276 119.276 119.914 -0.604 0.000 2.760 187 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 187 V C -1.721 173.808 176.094 -0.941 0.000 1.077 187 V CA -0.646 61.205 62.300 -0.749 0.000 0.910 187 V CB 0.833 32.212 31.823 -0.739 0.000 1.008 187 V HN 0.645 nan 8.190 nan 0.000 0.424 188 Y N 2.776 122.785 120.300 -0.486 0.000 2.429 188 Y HA 0.851 5.401 4.550 -0.000 0.000 0.342 188 Y C 0.531 176.011 175.900 -0.700 0.000 1.004 188 Y CA -0.361 57.404 58.100 -0.559 0.000 1.075 188 Y CB 2.321 40.476 38.460 -0.510 0.000 1.214 188 Y HN 0.947 nan 8.280 nan 0.000 0.455 189 S N -0.037 115.283 115.700 -0.633 0.000 2.588 189 S HA 0.491 4.961 4.470 -0.000 0.000 0.275 189 S C -0.049 174.182 174.600 -0.615 0.000 1.130 189 S CA -0.430 57.426 58.200 -0.573 0.000 0.855 189 S CB 1.857 64.766 63.200 -0.486 0.000 1.116 189 S HN 0.696 nan 8.310 nan 0.000 0.472 190 T N 2.094 116.347 114.554 -0.501 0.000 2.985 190 T HA 0.388 4.738 4.350 -0.000 0.000 0.254 190 T C 0.280 174.830 174.700 -0.249 0.000 1.021 190 T CA -0.043 61.744 62.100 -0.522 0.000 0.957 190 T CB -0.203 68.221 68.868 -0.740 0.000 1.047 190 T HN 0.547 nan 8.240 nan 0.000 0.511 191 I N 3.345 123.798 120.570 -0.195 0.000 2.529 191 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 191 I C 0.120 176.202 176.117 -0.058 0.000 1.082 191 I CA -0.829 60.418 61.300 -0.088 0.000 1.406 191 I CB 0.689 38.630 38.000 -0.098 0.000 1.405 191 I HN -0.006 nan 8.210 nan 0.000 0.548 192 R N 5.136 125.654 120.500 0.031 0.000 2.694 192 R HA 0.140 4.480 4.340 -0.000 0.000 0.268 192 R C 0.413 176.771 176.300 0.095 0.000 1.061 192 R CA -0.269 55.856 56.100 0.043 0.000 1.133 192 R CB 0.045 30.383 30.300 0.063 0.000 1.020 192 R HN 0.480 nan 8.270 nan 0.000 0.475 193 K N 0.823 121.244 120.400 0.034 0.000 2.400 193 K HA -0.043 4.277 4.320 -0.000 0.000 0.194 193 K C 0.196 176.904 176.600 0.181 0.000 1.033 193 K CA 0.563 56.883 56.287 0.054 0.000 1.021 193 K CB 0.197 32.685 32.500 -0.019 0.000 0.808 193 K HN 0.694 nan 8.250 nan 0.000 0.505 194 Q N -0.552 119.324 119.800 0.126 0.000 2.456 194 Q HA 0.233 4.573 4.340 -0.000 0.000 0.283 194 Q C 0.030 175.832 176.000 -0.330 0.000 1.084 194 Q CA -0.677 55.135 55.803 0.016 0.000 0.801 194 Q CB 1.685 30.223 28.738 -0.333 0.000 1.434 194 Q HN -0.029 nan 8.270 nan 0.000 0.419 195 E N 0.718 120.523 120.200 -0.657 0.000 2.112 195 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 195 E C 0.718 177.101 176.600 -0.360 0.000 0.979 195 E CA 0.957 56.817 56.400 -0.901 0.000 0.814 195 E CB 0.016 29.161 29.700 -0.926 0.000 0.762 195 E HN 0.720 nan 8.360 nan 0.000 0.460 196 Y N 0.383 120.531 120.300 -0.253 0.000 2.465 196 Y HA 0.284 4.834 4.550 -0.000 0.000 0.311 196 Y C 0.472 176.303 175.900 -0.115 0.000 1.204 196 Y CA -0.733 57.275 58.100 -0.154 0.000 1.272 196 Y CB -0.940 37.455 38.460 -0.109 0.000 1.083 196 Y HN -0.169 nan 8.280 nan 0.000 0.508 197 N N 1.726 120.183 118.700 -0.404 0.000 2.381 197 N HA 0.077 4.817 4.740 -0.000 0.000 0.241 197 N C 0.818 176.237 175.510 -0.152 0.000 1.279 197 N CA 0.887 53.742 53.050 -0.326 0.000 0.896 197 N CB 0.951 39.277 38.487 -0.268 0.000 1.118 197 N HN 0.574 nan 8.380 nan 0.000 0.438 198 G N 0.649 109.380 108.800 -0.115 0.000 2.647 198 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.271 198 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.271 198 G C 0.532 175.408 174.900 -0.040 0.000 1.300 198 G CA -0.156 44.909 45.100 -0.059 0.000 0.997 198 G HN 0.743 nan 8.290 nan 0.000 0.533 199 K N -0.638 119.752 120.400 -0.018 0.000 2.577 199 K HA 0.241 4.561 4.320 -0.000 0.000 0.210 199 K C -0.272 176.335 176.600 0.010 0.000 1.048 199 K CA -0.287 55.998 56.287 -0.003 0.000 1.188 199 K CB 0.248 32.748 32.500 0.001 0.000 0.910 199 K HN 0.120 nan 8.250 nan 0.000 0.483 200 I N 2.810 123.385 120.570 0.009 0.000 2.354 200 I HA 0.330 4.500 4.170 -0.000 0.000 0.286 200 I C -2.585 173.563 176.117 0.053 0.000 1.007 200 I CA -2.955 58.363 61.300 0.029 0.000 1.167 200 I CB 0.759 38.773 38.000 0.024 0.000 1.320 200 I HN -0.071 nan 8.210 nan 0.000 0.458 201 P HA 0.466 nan 4.420 nan 0.000 0.275 201 P C -0.482 176.940 177.300 0.203 0.000 1.227 201 P CA -0.305 62.898 63.100 0.173 0.000 0.781 201 P CB 0.881 32.740 31.700 0.266 0.000 0.906 202 R N 1.338 121.929 120.500 0.151 0.000 2.837 202 R HA 0.552 4.892 4.340 -0.000 0.000 0.271 202 R C -1.210 175.097 176.300 0.011 0.000 0.993 202 R CA -0.811 55.375 56.100 0.144 0.000 0.931 202 R CB 1.642 32.030 30.300 0.147 0.000 1.206 202 R HN 0.363 nan 8.270 nan 0.000 0.474 203 F N 2.366 122.244 119.950 -0.120 0.000 2.385 203 F HA 0.467 4.994 4.527 -0.000 0.000 0.360 203 F C -0.419 175.424 175.800 0.071 0.000 1.122 203 F CA -0.373 57.437 58.000 -0.317 0.000 1.090 203 F CB 0.698 39.340 39.000 -0.597 0.000 1.150 203 F HN 0.251 nan 8.300 nan 0.000 0.472 204 R N 4.437 124.749 120.500 -0.313 0.000 2.807 204 R HA 0.459 4.799 4.340 -0.000 0.000 0.276 204 R C -1.003 175.264 176.300 -0.054 0.000 0.979 204 R CA -1.296 54.828 56.100 0.039 0.000 0.928 204 R CB 2.128 32.413 30.300 -0.024 0.000 1.191 204 R HN 0.590 nan 8.270 nan 0.000 0.471 205 R N 2.591 123.170 120.500 0.133 0.000 2.196 205 R HA 0.182 4.522 4.340 -0.000 0.000 0.340 205 R C 0.373 176.545 176.300 -0.212 0.000 1.043 205 R CA -0.308 55.763 56.100 -0.049 0.000 0.883 205 R CB 0.578 30.868 30.300 -0.015 0.000 1.078 205 R HN 0.596 nan 8.270 nan 0.000 0.462 206 I N 2.911 123.283 120.570 -0.331 0.000 3.035 206 I HA 0.085 4.255 4.170 -0.000 0.000 0.271 206 I C 0.848 176.840 176.117 -0.209 0.000 1.190 206 I CA 0.717 61.857 61.300 -0.267 0.000 1.472 206 I CB -0.519 37.265 38.000 -0.359 0.000 1.116 206 I HN 0.574 nan 8.210 nan 0.000 0.443 207 R N 0.477 120.816 120.500 -0.267 0.000 2.532 207 R HA 0.556 4.896 4.340 -0.000 0.000 0.297 207 R C -0.604 175.574 176.300 -0.203 0.000 0.984 207 R CA -0.039 55.959 56.100 -0.170 0.000 0.884 207 R CB 2.003 32.248 30.300 -0.092 0.000 1.182 207 R HN 0.230 nan 8.270 nan 0.000 0.442 208 G N 1.896 110.616 108.800 -0.132 0.000 2.356 208 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.288 208 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.288 208 G C -0.145 174.703 174.900 -0.086 0.000 1.302 208 G CA -0.504 44.529 45.100 -0.111 0.000 0.887 208 G HN 0.558 nan 8.290 nan 0.000 0.521 209 E N -0.400 119.759 120.200 -0.068 0.000 2.068 209 E HA -0.100 4.250 4.350 -0.000 0.000 0.207 209 E C 1.278 177.827 176.600 -0.086 0.000 1.032 209 E CA 2.091 58.453 56.400 -0.064 0.000 0.839 209 E CB -0.193 29.475 29.700 -0.054 0.000 0.758 209 E HN 0.772 nan 8.360 nan 0.000 0.457 210 S N -0.347 115.282 115.700 -0.119 0.000 2.546 210 S HA 0.323 4.793 4.470 -0.000 0.000 0.274 210 S C -0.911 173.580 174.600 -0.182 0.000 1.121 210 S CA -1.071 57.046 58.200 -0.139 0.000 0.887 210 S CB 2.114 65.224 63.200 -0.150 0.000 1.094 210 S HN 0.018 nan 8.310 nan 0.000 0.474 211 E N 1.567 121.675 120.200 -0.152 0.000 2.324 211 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 211 E C -0.802 175.674 176.600 -0.206 0.000 1.028 211 E CA -0.039 56.269 56.400 -0.153 0.000 0.890 211 E CB 0.622 30.270 29.700 -0.086 0.000 1.004 211 E HN 0.475 nan 8.360 nan 0.000 0.431 212 L N 3.656 124.686 121.223 -0.322 0.000 2.341 212 L HA 0.544 4.884 4.340 -0.000 0.000 0.267 212 L C -0.741 175.991 176.870 -0.230 0.000 1.009 212 L CA -1.257 53.242 54.840 -0.568 0.000 0.819 212 L CB 1.079 42.282 42.059 -1.426 0.000 1.323 212 L HN 0.544 nan 8.230 nan 0.000 0.425 213 Y N -1.234 118.961 120.300 -0.176 0.000 2.553 213 Y HA 0.671 5.221 4.550 -0.000 0.000 0.347 213 Y C -0.165 175.953 175.900 0.364 0.000 1.019 213 Y CA -1.281 56.913 58.100 0.156 0.000 1.032 213 Y CB 0.950 39.437 38.460 0.043 0.000 1.284 213 Y HN 0.572 nan 8.280 nan 0.000 0.466 214 T N 0.124 115.000 114.554 0.537 0.000 2.907 214 T HA 0.413 4.763 4.350 -0.000 0.000 0.298 214 T C 0.458 175.290 174.700 0.220 0.000 1.017 214 T CA -0.304 61.984 62.100 0.313 0.000 1.118 214 T CB 0.819 69.782 68.868 0.158 0.000 0.948 214 T HN 0.963 nan 8.240 nan 0.000 0.531 215 S N 1.558 117.311 115.700 0.088 0.000 2.641 215 S HA 0.147 4.617 4.470 -0.000 0.000 0.261 215 S C 0.491 175.134 174.600 0.071 0.000 1.257 215 S CA -0.549 57.724 58.200 0.123 0.000 0.983 215 S CB 0.307 63.571 63.200 0.106 0.000 0.990 215 S HN 0.648 nan 8.310 nan 0.000 0.572 216 D N 0.498 120.945 120.400 0.079 0.000 2.310 216 D HA 0.015 4.655 4.640 -0.000 0.000 0.212 216 D C 1.836 178.133 176.300 -0.005 0.000 0.965 216 D CA 1.642 55.666 54.000 0.039 0.000 0.879 216 D CB -0.510 40.316 40.800 0.043 0.000 0.921 216 D HN 0.819 nan 8.370 nan 0.000 0.510 217 T N -2.501 112.033 114.554 -0.034 0.000 3.060 217 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 217 T C 1.896 176.540 174.700 -0.093 0.000 1.079 217 T CA 0.364 62.429 62.100 -0.058 0.000 1.013 217 T CB -0.194 68.631 68.868 -0.072 0.000 0.975 217 T HN 0.087 nan 8.240 nan 0.000 0.518 218 V N -1.271 118.528 119.914 -0.191 0.000 2.719 218 V HA 0.396 4.516 4.120 -0.000 0.000 0.252 218 V C 0.806 176.804 176.094 -0.160 0.000 1.065 218 V CA 0.361 62.440 62.300 -0.369 0.000 1.086 218 V CB -0.951 30.179 31.823 -1.156 0.000 0.700 218 V HN 0.463 nan 8.190 nan 0.000 0.467 219 M N 0.185 119.741 119.600 -0.072 0.000 2.531 219 M HA 0.621 5.101 4.480 -0.000 0.000 0.286 219 M C -1.643 174.690 176.300 0.055 0.000 1.232 219 M CA -0.489 54.851 55.300 0.066 0.000 0.877 219 M CB 2.641 35.269 32.600 0.045 0.000 1.726 219 M HN -0.063 nan 8.290 nan 0.000 0.463 220 Q N 2.092 121.945 119.800 0.088 0.000 2.464 220 Q HA 0.405 4.745 4.340 -0.000 0.000 0.256 220 Q C -1.078 174.952 176.000 0.049 0.000 1.020 220 Q CA -0.256 55.579 55.803 0.054 0.000 0.716 220 Q CB 0.711 29.479 28.738 0.048 0.000 1.230 220 Q HN 0.636 nan 8.270 nan 0.000 0.494 221 N N 1.462 120.179 118.700 0.029 0.000 2.708 221 N HA -0.119 4.621 4.740 -0.000 0.000 0.255 221 N C -2.550 172.956 175.510 -0.006 0.000 1.046 221 N CA 0.411 53.469 53.050 0.013 0.000 0.715 221 N CB -0.761 37.737 38.487 0.018 0.000 0.895 221 N HN 0.434 nan 8.380 nan 0.000 0.545 222 P HA 0.075 nan 4.420 nan 0.000 0.275 222 P C -0.630 176.446 177.300 -0.372 0.000 1.228 222 P CA 0.256 63.250 63.100 -0.177 0.000 0.786 222 P CB 0.879 32.306 31.700 -0.455 0.000 0.927 223 Q N 1.939 121.593 119.800 -0.244 0.000 2.347 223 Q HA 0.350 4.690 4.340 -0.000 0.000 0.265 223 Q C -0.731 175.221 176.000 -0.079 0.000 1.024 223 Q CA -0.559 55.154 55.803 -0.150 0.000 0.731 223 Q CB 0.823 29.568 28.738 0.011 0.000 1.245 223 Q HN 0.366 nan 8.270 nan 0.000 0.472 224 F N 1.926 122.004 119.950 0.213 0.000 2.518 224 F HA 0.042 4.569 4.527 -0.000 0.000 0.359 224 F C 1.209 177.151 175.800 0.236 0.000 1.118 224 F CA -0.076 58.072 58.000 0.247 0.000 1.287 224 F CB 0.440 39.519 39.000 0.132 0.000 1.132 224 F HN 0.490 nan 8.300 nan 0.000 0.587 225 I N 0.171 121.021 120.570 0.468 0.000 3.534 225 I HA 0.205 4.375 4.170 -0.000 0.000 0.251 225 I C 0.195 176.507 176.117 0.324 0.000 1.136 225 I CA 0.541 62.040 61.300 0.331 0.000 1.475 225 I CB -0.569 37.593 38.000 0.271 0.000 1.526 225 I HN 0.388 nan 8.210 nan 0.000 0.454 226 K N 0.197 120.845 120.400 0.413 0.000 2.556 226 K HA 0.781 5.101 4.320 -0.000 0.000 0.274 226 K C -1.737 175.157 176.600 0.490 0.000 0.966 226 K CA -0.381 56.130 56.287 0.373 0.000 0.865 226 K CB 2.722 35.383 32.500 0.269 0.000 1.444 226 K HN 0.181 nan 8.250 nan 0.000 0.433 227 A N 0.932 123.973 122.820 0.368 0.000 2.486 227 A HA 0.804 5.124 4.320 -0.000 0.000 0.300 227 A C -1.174 176.557 177.584 0.245 0.000 1.048 227 A CA -0.363 51.872 52.037 0.329 0.000 0.696 227 A CB 1.360 20.520 19.000 0.267 0.000 1.278 227 A HN 0.787 nan 8.150 nan 0.000 0.405 228 T N -0.977 113.695 114.554 0.198 0.000 2.816 228 T HA 0.717 5.067 4.350 -0.000 0.000 0.299 228 T C -0.882 173.800 174.700 -0.029 0.000 1.230 228 T CA -0.698 61.469 62.100 0.112 0.000 1.007 228 T CB 1.014 69.970 68.868 0.146 0.000 1.289 228 T HN 0.476 nan 8.240 nan 0.000 0.508 229 I N 2.150 122.667 120.570 -0.087 0.000 2.377 229 I HA 0.558 4.728 4.170 -0.000 0.000 0.293 229 I C 0.003 175.898 176.117 -0.369 0.000 0.987 229 I CA -1.143 60.000 61.300 -0.262 0.000 1.185 229 I CB 1.434 39.279 38.000 -0.258 0.000 1.341 229 I HN 0.733 nan 8.210 nan 0.000 0.455 230 V N 6.274 125.868 119.914 -0.534 0.000 2.409 230 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 230 V C -0.441 175.264 176.094 -0.648 0.000 1.020 230 V CA -0.458 61.526 62.300 -0.526 0.000 0.848 230 V CB 1.307 32.749 31.823 -0.635 0.000 0.990 230 V HN 0.643 nan 8.190 nan 0.000 0.430 231 H N 6.225 125.097 119.070 -0.331 0.000 2.846 231 H HA 0.394 4.950 4.556 -0.000 0.000 0.278 231 H C 0.079 174.999 175.328 -0.681 0.000 1.117 231 H CA -0.060 55.779 56.048 -0.350 0.000 1.406 231 H CB 0.885 30.556 29.762 -0.152 0.000 1.445 231 H HN 0.769 nan 8.280 nan 0.000 0.469 232 Q N 1.858 121.203 119.800 -0.759 0.000 2.179 232 Q HA 0.028 4.368 4.340 -0.000 0.000 0.174 232 Q C 0.649 176.426 176.000 -0.372 0.000 1.044 232 Q CA -0.873 54.263 55.803 -1.113 0.000 1.105 232 Q CB 0.928 29.112 28.738 -0.922 0.000 1.213 232 Q HN 0.496 nan 8.270 nan 0.000 0.574 233 D N 0.423 120.786 120.400 -0.062 0.000 2.106 233 D HA -0.140 4.500 4.640 -0.000 0.000 0.191 233 D C 0.131 176.406 176.300 -0.042 0.000 0.997 233 D CA 1.621 55.662 54.000 0.069 0.000 0.834 233 D CB 0.140 41.019 40.800 0.131 0.000 0.956 233 D HN 0.301 nan 8.370 nan 0.000 0.448 234 Q N -1.108 118.591 119.800 -0.168 0.000 2.266 234 Q HA 0.575 4.915 4.340 -0.000 0.000 0.261 234 Q C 0.637 176.501 176.000 -0.227 0.000 0.985 234 Q CA -0.455 55.228 55.803 -0.200 0.000 0.873 234 Q CB 2.048 30.550 28.738 -0.394 0.000 1.306 234 Q HN 0.038 nan 8.270 nan 0.000 0.447 235 A N 1.921 124.703 122.820 -0.063 0.000 1.978 235 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 235 A C 1.565 179.151 177.584 0.004 0.000 1.170 235 A CA 1.707 53.742 52.037 -0.004 0.000 0.636 235 A CB -0.724 18.319 19.000 0.071 0.000 0.810 235 A HN 0.883 nan 8.150 nan 0.000 0.448 236 Y N -1.753 118.542 120.300 -0.008 0.000 2.571 236 Y HA 0.118 4.668 4.550 -0.000 0.000 0.294 236 Y C 0.921 176.803 175.900 -0.031 0.000 1.141 236 Y CA 0.604 58.699 58.100 -0.010 0.000 1.308 236 Y CB -0.266 38.194 38.460 0.001 0.000 1.002 236 Y HN 0.169 nan 8.280 nan 0.000 0.551 237 D N 0.380 120.529 120.400 -0.419 0.000 2.339 237 D HA -0.006 4.634 4.640 -0.000 0.000 0.217 237 D C -0.494 175.636 176.300 -0.283 0.000 1.050 237 D CA 0.253 54.047 54.000 -0.344 0.000 0.856 237 D CB -0.231 40.303 40.800 -0.443 0.000 0.922 237 D HN 0.367 nan 8.370 nan 0.000 0.518 238 D N 1.791 122.048 120.400 -0.238 0.000 2.531 238 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 238 D C 0.458 176.596 176.300 -0.269 0.000 1.144 238 D CA 0.739 54.573 54.000 -0.277 0.000 0.869 238 D CB 0.710 41.406 40.800 -0.173 0.000 1.160 238 D HN -0.193 nan 8.370 nan 0.000 0.484 239 K N 2.156 122.320 120.400 -0.394 0.000 2.221 239 K HA 0.563 4.883 4.320 -0.000 0.000 0.243 239 K C -0.126 176.222 176.600 -0.421 0.000 0.968 239 K CA -0.806 55.258 56.287 -0.371 0.000 0.846 239 K CB 1.820 34.067 32.500 -0.422 0.000 1.141 239 K HN 0.347 nan 8.250 nan 0.000 0.434 240 I N 2.051 122.419 120.570 -0.338 0.000 2.378 240 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 240 I C -0.508 175.501 176.117 -0.180 0.000 0.992 240 I CA -0.778 60.326 61.300 -0.326 0.000 1.154 240 I CB 0.901 38.651 38.000 -0.416 0.000 1.315 240 I HN 0.342 nan 8.210 nan 0.000 0.448 241 Y N 5.647 125.788 120.300 -0.265 0.000 2.446 241 Y HA 0.546 5.096 4.550 -0.000 0.000 0.338 241 Y C -0.695 175.058 175.900 -0.245 0.000 1.055 241 Y CA -1.169 56.725 58.100 -0.343 0.000 1.101 241 Y CB 2.380 40.698 38.460 -0.237 0.000 1.221 241 Y HN 0.516 nan 8.280 nan 0.000 0.460 242 Y N -0.289 119.786 120.300 -0.375 0.000 2.544 242 Y HA 0.697 5.247 4.550 -0.000 0.000 0.342 242 Y C -2.303 173.449 175.900 -0.247 0.000 1.062 242 Y CA -2.205 55.780 58.100 -0.190 0.000 1.023 242 Y CB 1.034 39.358 38.460 -0.227 0.000 1.308 242 Y HN 0.327 nan 8.280 nan 0.000 0.457 243 F N 4.047 124.257 119.950 0.433 0.000 2.508 243 F HA 0.823 5.350 4.527 -0.000 0.000 0.325 243 F C -0.499 175.621 175.800 0.533 0.000 1.090 243 F CA -1.221 56.974 58.000 0.325 0.000 0.945 243 F CB 1.789 40.873 39.000 0.141 0.000 1.156 243 F HN 0.656 nan 8.300 nan 0.000 0.463 244 F N -0.917 119.170 119.950 0.230 0.000 2.817 244 F HA 0.751 5.278 4.527 -0.000 0.000 0.317 244 F C -1.549 174.278 175.800 0.045 0.000 1.168 244 F CA -1.597 56.480 58.000 0.128 0.000 0.911 244 F CB 1.480 40.522 39.000 0.069 0.000 1.337 244 F HN 0.269 nan 8.300 nan 0.000 0.464 245 R N 0.779 121.326 120.500 0.079 0.000 2.778 245 R HA 0.691 5.031 4.340 -0.000 0.000 0.277 245 R C -1.243 175.103 176.300 0.075 0.000 0.977 245 R CA -0.863 55.223 56.100 -0.024 0.000 0.950 245 R CB 2.446 32.760 30.300 0.023 0.000 1.165 245 R HN 0.917 nan 8.270 nan 0.000 0.474 246 E N 0.159 120.374 120.200 0.026 0.000 2.447 246 E HA 0.230 4.580 4.350 -0.000 0.000 0.279 246 E C -1.436 175.188 176.600 0.040 0.000 1.053 246 E CA -1.019 55.430 56.400 0.083 0.000 0.840 246 E CB 0.869 30.682 29.700 0.189 0.000 1.409 246 E HN 0.214 nan 8.360 nan 0.000 0.461 247 D N 1.157 121.583 120.400 0.044 0.000 2.423 247 D HA 0.048 4.688 4.640 -0.000 0.000 0.238 247 D C -0.318 175.997 176.300 0.025 0.000 1.142 247 D CA 0.094 54.111 54.000 0.028 0.000 0.884 247 D CB 0.403 41.218 40.800 0.026 0.000 1.199 247 D HN 0.328 nan 8.370 nan 0.000 0.438 248 N N 2.012 120.721 118.700 0.016 0.000 2.470 248 N HA 0.071 4.811 4.740 -0.000 0.000 0.268 248 N C -1.684 173.836 175.510 0.017 0.000 1.136 248 N CA -1.711 51.347 53.050 0.013 0.000 0.961 248 N CB 1.181 39.672 38.487 0.008 0.000 1.067 248 N HN 0.077 nan 8.380 nan 0.000 0.468 249 P HA -0.081 nan 4.420 nan 0.000 0.223 249 P C -0.194 177.118 177.300 0.020 0.000 1.151 249 P CA 0.641 63.756 63.100 0.024 0.000 0.787 249 P CB 0.213 31.932 31.700 0.032 0.000 0.788 250 D N 0.741 121.151 120.400 0.017 0.000 2.336 250 D HA 0.062 4.702 4.640 -0.000 0.000 0.249 250 D C 0.508 176.814 176.300 0.009 0.000 1.213 250 D CA -0.085 53.924 54.000 0.014 0.000 0.870 250 D CB 0.718 41.526 40.800 0.012 0.000 1.076 250 D HN -0.249 nan 8.370 nan 0.000 0.483 251 K N 2.180 122.585 120.400 0.009 0.000 2.387 251 K HA 0.177 4.497 4.320 -0.000 0.000 0.198 251 K C 0.060 176.661 176.600 0.002 0.000 1.022 251 K CA -0.381 55.909 56.287 0.005 0.000 1.128 251 K CB 0.007 32.511 32.500 0.006 0.000 0.853 251 K HN 0.353 nan 8.250 nan 0.000 0.523 252 N N 1.691 120.392 118.700 0.003 0.000 2.395 252 N HA -0.037 4.703 4.740 -0.000 0.000 0.246 252 N C -1.713 173.795 175.510 -0.004 0.000 1.246 252 N CA -0.784 52.266 53.050 0.000 0.000 0.879 252 N CB 0.515 39.003 38.487 0.001 0.000 1.098 252 N HN 0.005 nan 8.380 nan 0.000 0.444 253 P HA -0.151 nan 4.420 nan 0.000 0.219 253 P C 0.202 177.495 177.300 -0.012 0.000 1.146 253 P CA 1.496 64.590 63.100 -0.009 0.000 0.808 253 P CB 0.323 32.018 31.700 -0.009 0.000 0.779 254 E N -0.252 119.943 120.200 -0.008 0.000 2.489 254 E HA 0.309 4.659 4.350 -0.000 0.000 0.193 254 E C 0.880 177.475 176.600 -0.009 0.000 1.057 254 E CA -0.147 56.248 56.400 -0.009 0.000 0.866 254 E CB -0.623 29.074 29.700 -0.005 0.000 0.916 254 E HN 0.192 nan 8.360 nan 0.000 0.500 255 A N 2.609 125.424 122.820 -0.008 0.000 2.316 255 A HA 0.462 4.782 4.320 -0.000 0.000 0.284 255 A C -2.089 175.488 177.584 -0.012 0.000 1.115 255 A CA -1.535 50.498 52.037 -0.007 0.000 0.812 255 A CB 0.025 19.023 19.000 -0.002 0.000 1.064 255 A HN 0.021 nan 8.150 nan 0.000 0.489 256 P HA 0.092 nan 4.420 nan 0.000 0.271 256 P C 0.540 177.833 177.300 -0.011 0.000 1.218 256 P CA -0.458 62.632 63.100 -0.016 0.000 0.780 256 P CB 0.669 32.364 31.700 -0.008 0.000 0.901 257 L N 1.904 123.116 121.223 -0.018 0.000 2.079 257 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 257 L C 0.810 177.680 176.870 -0.001 0.000 1.081 257 L CA 1.926 56.759 54.840 -0.012 0.000 0.752 257 L CB -1.435 40.613 42.059 -0.020 0.000 0.896 257 L HN 0.558 nan 8.230 nan 0.000 0.433 258 N N -3.070 115.632 118.700 0.004 0.000 2.380 258 N HA 0.600 5.340 4.740 -0.000 0.000 0.290 258 N C -1.142 174.377 175.510 0.015 0.000 1.236 258 N CA -0.625 52.431 53.050 0.011 0.000 0.780 258 N CB 2.524 41.021 38.487 0.016 0.000 1.438 258 N HN -0.211 nan 8.380 nan 0.000 0.491 259 V N -0.761 119.155 119.914 0.004 0.000 3.130 259 V HA 0.695 4.814 4.120 -0.000 0.000 0.310 259 V C -1.038 175.032 176.094 -0.040 0.000 1.158 259 V CA -0.499 61.800 62.300 -0.001 0.000 1.029 259 V CB 2.325 34.139 31.823 -0.016 0.000 1.057 259 V HN 0.786 nan 8.190 nan 0.000 0.436 260 S N 4.144 119.831 115.700 -0.021 0.000 2.509 260 S HA 0.787 5.257 4.470 -0.000 0.000 0.297 260 S C -0.774 173.703 174.600 -0.205 0.000 1.118 260 S CA -0.798 57.359 58.200 -0.072 0.000 1.074 260 S CB 1.154 64.428 63.200 0.124 0.000 1.038 260 S HN 0.645 nan 8.310 nan 0.000 0.498 261 R N 0.768 121.001 120.500 -0.444 0.000 2.836 261 R HA 0.679 5.019 4.340 -0.000 0.000 0.269 261 R C -1.416 174.568 176.300 -0.527 0.000 1.010 261 R CA -0.776 54.965 56.100 -0.598 0.000 0.930 261 R CB 1.572 31.201 30.300 -1.119 0.000 1.218 261 R HN 0.461 nan 8.270 nan 0.000 0.473 262 V N 0.164 119.792 119.914 -0.476 0.000 2.656 262 V HA 0.849 4.969 4.120 -0.000 0.000 0.307 262 V C -1.148 174.646 176.094 -0.500 0.000 1.051 262 V CA -0.498 61.413 62.300 -0.649 0.000 0.893 262 V CB 1.721 33.113 31.823 -0.718 0.000 0.999 262 V HN 0.944 nan 8.190 nan 0.000 0.426 263 A N 5.520 127.898 122.820 -0.736 0.000 2.380 263 A HA 0.928 5.248 4.320 -0.000 0.000 0.315 263 A C -0.824 176.129 177.584 -1.052 0.000 1.101 263 A CA -0.689 50.776 52.037 -0.953 0.000 0.771 263 A CB 1.948 20.180 19.000 -1.279 0.000 1.287 263 A HN 1.173 nan 8.150 nan 0.000 0.436 264 Q N 0.584 119.669 119.800 -1.192 0.000 2.387 264 Q HA 0.885 5.225 4.340 -0.000 0.000 0.273 264 Q C -1.644 173.926 176.000 -0.717 0.000 1.089 264 Q CA -0.657 54.642 55.803 -0.839 0.000 0.824 264 Q CB 1.924 30.037 28.738 -1.041 0.000 1.367 264 Q HN 0.566 nan 8.270 nan 0.000 0.443 265 L N 0.775 121.720 121.223 -0.463 0.000 2.466 265 L HA 0.548 4.888 4.340 -0.000 0.000 0.258 265 L C -1.079 175.670 176.870 -0.202 0.000 0.973 265 L CA -1.172 53.447 54.840 -0.367 0.000 0.826 265 L CB 2.640 44.294 42.059 -0.675 0.000 1.372 265 L HN 0.843 nan 8.230 nan 0.000 0.409 266 c N 1.828 120.416 118.600 -0.020 0.000 2.415 266 c HA 0.221 4.791 4.570 -0.000 0.000 0.369 266 c C 1.883 176.060 174.090 0.145 0.000 1.279 266 c CA -0.524 55.823 56.329 0.030 0.000 1.886 266 c CB 0.879 43.433 42.510 0.074 0.000 2.468 266 c HN 0.808 nan 8.230 nan 0.000 0.553 267 R N 2.317 122.852 120.500 0.059 0.000 2.091 267 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 267 R C 1.799 178.220 176.300 0.201 0.000 1.136 267 R CA 1.875 58.053 56.100 0.130 0.000 0.959 267 R CB -0.587 29.728 30.300 0.026 0.000 0.856 267 R HN 0.929 nan 8.270 nan 0.000 0.437 268 G N 0.816 109.699 108.800 0.139 0.000 3.383 268 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.251 268 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.251 268 G C -0.312 174.647 174.900 0.099 0.000 1.203 268 G CA -0.404 44.766 45.100 0.117 0.000 0.852 268 G HN 0.178 nan 8.290 nan 0.000 0.531 269 D N 0.573 121.062 120.400 0.149 0.000 2.434 269 D HA 0.021 4.661 4.640 -0.000 0.000 0.252 269 D C 1.357 177.634 176.300 -0.038 0.000 1.185 269 D CA -0.036 54.023 54.000 0.098 0.000 0.886 269 D CB 0.964 41.919 40.800 0.258 0.000 1.148 269 D HN 0.120 nan 8.370 nan 0.000 0.483 270 Q N 2.582 122.348 119.800 -0.057 0.000 2.137 270 Q HA 0.174 4.514 4.340 -0.000 0.000 0.198 270 Q C 1.199 177.099 176.000 -0.167 0.000 0.960 270 Q CA 0.954 56.699 55.803 -0.098 0.000 0.847 270 Q CB 0.096 28.791 28.738 -0.072 0.000 0.915 270 Q HN 0.749 nan 8.270 nan 0.000 0.448 271 G N -1.012 107.675 108.800 -0.189 0.000 2.343 271 G HA2 0.185 4.145 3.960 -0.000 0.000 0.465 271 G HA3 0.185 4.145 3.960 -0.000 0.000 0.465 271 G C -0.446 174.303 174.900 -0.252 0.000 1.282 271 G CA -0.659 44.283 45.100 -0.264 0.000 0.996 271 G HN 0.383 nan 8.290 nan 0.000 0.521 272 G N -1.394 107.210 108.800 -0.327 0.000 2.535 272 G HA2 0.574 4.534 3.960 -0.000 0.000 0.303 272 G HA3 0.574 4.534 3.960 -0.000 0.000 0.303 272 G C 0.602 175.395 174.900 -0.178 0.000 1.237 272 G CA 0.505 45.412 45.100 -0.322 0.000 0.986 272 G HN 0.716 nan 8.290 nan 0.000 0.494 273 E N -0.770 119.361 120.200 -0.116 0.000 2.170 273 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 273 E C 1.765 178.338 176.600 -0.044 0.000 0.981 273 E CA 0.721 57.085 56.400 -0.059 0.000 0.830 273 E CB 0.140 29.827 29.700 -0.021 0.000 0.775 273 E HN 0.440 nan 8.360 nan 0.000 0.470 274 S N 0.317 115.995 115.700 -0.036 0.000 2.645 274 S HA 0.068 4.538 4.470 -0.000 0.000 0.266 274 S C 1.389 175.973 174.600 -0.027 0.000 1.258 274 S CA -0.079 58.114 58.200 -0.012 0.000 0.990 274 S CB 1.600 64.815 63.200 0.025 0.000 0.967 274 S HN 0.122 nan 8.310 nan 0.000 0.556 275 S N 1.075 116.769 115.700 -0.009 0.000 2.447 275 S HA -0.024 4.446 4.470 -0.000 0.000 0.233 275 S C 1.605 176.202 174.600 -0.003 0.000 1.006 275 S CA 0.755 58.949 58.200 -0.010 0.000 0.957 275 S CB -0.874 62.326 63.200 -0.000 0.000 0.773 275 S HN 0.678 nan 8.310 nan 0.000 0.507 276 L N 1.695 122.925 121.223 0.011 0.000 2.249 276 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 276 L C 2.535 179.405 176.870 -0.000 0.000 1.090 276 L CA 0.994 55.854 54.840 0.033 0.000 0.802 276 L CB -0.341 41.756 42.059 0.063 0.000 0.947 276 L HN 0.507 nan 8.230 nan 0.000 0.453 277 S N -1.784 113.882 115.700 -0.058 0.000 2.556 277 S HA 0.059 4.529 4.470 -0.000 0.000 0.216 277 S C 1.628 176.046 174.600 -0.303 0.000 0.970 277 S CA -0.165 57.899 58.200 -0.225 0.000 0.912 277 S CB 0.052 63.059 63.200 -0.322 0.000 0.790 277 S HN 0.062 nan 8.310 nan 0.000 0.504 278 V N 2.918 122.720 119.914 -0.186 0.000 2.343 278 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 278 V C 2.511 178.468 176.094 -0.229 0.000 1.051 278 V CA 2.054 64.244 62.300 -0.184 0.000 1.036 278 V CB -0.885 30.871 31.823 -0.111 0.000 0.654 278 V HN 0.806 nan 8.190 nan 0.000 0.451 279 S N -1.552 114.024 115.700 -0.206 0.000 2.614 279 S HA 0.270 4.740 4.470 -0.000 0.000 0.230 279 S C 0.309 174.586 174.600 -0.539 0.000 0.952 279 S CA -0.372 57.689 58.200 -0.231 0.000 0.949 279 S CB -0.173 63.033 63.200 0.010 0.000 0.786 279 S HN 0.550 nan 8.310 nan 0.000 0.478 280 K N 0.542 120.563 120.400 -0.633 0.000 2.208 280 K HA 0.395 4.715 4.320 -0.000 0.000 0.247 280 K C -1.189 175.109 176.600 -0.503 0.000 0.953 280 K CA -0.828 54.992 56.287 -0.777 0.000 0.837 280 K CB 1.006 33.150 32.500 -0.594 0.000 1.131 280 K HN 0.248 nan 8.250 nan 0.000 0.431 281 W N 1.617 122.762 121.300 -0.258 0.000 2.210 281 W HA 0.077 4.737 4.660 -0.000 0.000 0.330 281 W C 1.035 177.489 176.519 -0.108 0.000 1.334 281 W CA 0.182 57.471 57.345 -0.094 0.000 1.227 281 W CB 0.245 29.742 29.460 0.061 0.000 1.178 281 W HN 0.573 nan 8.180 nan 0.000 0.560 282 N N 0.582 119.351 118.700 0.114 0.000 2.187 282 N HA -0.029 4.711 4.740 -0.000 0.000 0.212 282 N C 0.686 176.345 175.510 0.249 0.000 1.152 282 N CA 0.372 53.452 53.050 0.050 0.000 0.872 282 N CB 0.524 38.883 38.487 -0.213 0.000 1.025 282 N HN 0.452 nan 8.380 nan 0.000 0.514 283 T N -2.305 112.412 114.554 0.271 0.000 3.200 283 T HA 0.221 4.571 4.350 -0.000 0.000 0.284 283 T C -0.047 174.710 174.700 0.095 0.000 1.009 283 T CA -0.565 61.636 62.100 0.169 0.000 0.907 283 T CB -0.662 68.277 68.868 0.119 0.000 1.120 283 T HN -0.002 nan 8.240 nan 0.000 0.534 284 F N 2.029 121.994 119.950 0.025 0.000 2.518 284 F HA 0.574 5.101 4.527 -0.000 0.000 0.359 284 F C -0.552 175.166 175.800 -0.137 0.000 1.118 284 F CA -0.703 57.239 58.000 -0.096 0.000 1.287 284 F CB 0.523 39.513 39.000 -0.018 0.000 1.132 284 F HN 0.086 nan 8.300 nan 0.000 0.587 285 L N 5.637 126.300 121.223 -0.933 0.000 2.556 285 L HA 0.419 4.758 4.340 -0.000 0.000 0.257 285 L C -1.484 174.815 176.870 -0.951 0.000 0.955 285 L CA -0.718 53.756 54.840 -0.610 0.000 0.850 285 L CB 2.310 44.064 42.059 -0.508 0.000 1.398 285 L HN 0.712 nan 8.230 nan 0.000 0.412 286 K N 2.518 122.755 120.400 -0.272 0.000 2.477 286 K HA 1.027 5.347 4.320 -0.000 0.000 0.255 286 K C -1.704 174.945 176.600 0.082 0.000 0.952 286 K CA -0.783 55.434 56.287 -0.117 0.000 0.826 286 K CB 2.560 35.066 32.500 0.011 0.000 1.331 286 K HN 0.635 nan 8.250 nan 0.000 0.437 287 A N 2.765 125.552 122.820 -0.055 0.000 2.454 287 A HA 0.559 4.879 4.320 -0.000 0.000 0.302 287 A C -1.115 176.338 177.584 -0.219 0.000 1.079 287 A CA -1.034 50.885 52.037 -0.198 0.000 0.731 287 A CB 1.788 20.488 19.000 -0.500 0.000 1.299 287 A HN 0.878 nan 8.150 nan 0.000 0.413 288 M N 1.661 121.159 119.600 -0.169 0.000 2.211 288 M HA 0.437 4.917 4.480 -0.000 0.000 0.356 288 M C -1.539 174.672 176.300 -0.148 0.000 1.216 288 M CA -0.569 54.647 55.300 -0.139 0.000 1.134 288 M CB 0.419 32.971 32.600 -0.079 0.000 1.564 288 M HN 0.581 nan 8.290 nan 0.000 0.463 289 L N 5.895 127.054 121.223 -0.107 0.000 2.264 289 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 289 L C -0.903 175.991 176.870 0.038 0.000 1.044 289 L CA -0.223 54.566 54.840 -0.086 0.000 0.807 289 L CB 1.506 43.562 42.059 -0.005 0.000 1.192 289 L HN 0.460 nan 8.230 nan 0.000 0.425 290 V N 3.429 123.359 119.914 0.027 0.000 2.459 290 V HA 0.390 4.510 4.120 -0.000 0.000 0.295 290 V C -0.390 175.662 176.094 -0.070 0.000 1.029 290 V CA -0.636 61.664 62.300 0.001 0.000 0.874 290 V CB 1.736 33.562 31.823 0.004 0.000 0.985 290 V HN 0.859 nan 8.190 nan 0.000 0.438 291 c N 4.884 123.324 118.600 -0.267 0.000 2.521 291 c HA 0.747 5.317 4.570 -0.000 0.000 0.291 291 c C 0.048 174.091 174.090 -0.077 0.000 1.074 291 c CA -0.150 55.939 56.329 -0.400 0.000 1.495 291 c CB -0.391 41.411 42.510 -1.180 0.000 1.862 291 c HN 0.921 nan 8.230 nan 0.000 0.418 292 S N 3.302 118.989 115.700 -0.021 0.000 2.541 292 S HA 0.495 4.965 4.470 -0.000 0.000 0.280 292 S C -1.247 173.382 174.600 0.048 0.000 1.112 292 S CA -0.308 57.931 58.200 0.065 0.000 0.925 292 S CB 1.497 64.705 63.200 0.013 0.000 1.067 292 S HN 0.823 nan 8.310 nan 0.000 0.479 293 D N 2.688 123.136 120.400 0.081 0.000 2.304 293 D HA 0.591 5.231 4.640 -0.000 0.000 0.250 293 D C 0.921 177.237 176.300 0.025 0.000 1.107 293 D CA 0.154 54.189 54.000 0.058 0.000 0.885 293 D CB 1.641 42.471 40.800 0.051 0.000 1.192 293 D HN 0.532 nan 8.370 nan 0.000 0.436 294 A N 4.071 126.908 122.820 0.028 0.000 1.843 294 A HA 0.158 4.478 4.320 -0.000 0.000 0.213 294 A C 2.090 179.682 177.584 0.014 0.000 1.202 294 A CA 1.524 53.569 52.037 0.013 0.000 0.607 294 A CB -1.107 17.899 19.000 0.011 0.000 0.847 294 A HN 0.665 nan 8.150 nan 0.000 0.445 295 A N -0.266 122.572 122.820 0.030 0.000 1.870 295 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 295 A C 1.841 179.432 177.584 0.013 0.000 1.224 295 A CA 2.499 54.552 52.037 0.026 0.000 0.650 295 A CB -1.692 17.336 19.000 0.047 0.000 0.836 295 A HN 0.895 nan 8.150 nan 0.000 0.454 296 T N -3.571 110.992 114.554 0.014 0.000 2.897 296 T HA 0.356 4.706 4.350 -0.000 0.000 0.278 296 T C 0.162 174.843 174.700 -0.031 0.000 0.981 296 T CA -0.190 61.901 62.100 -0.014 0.000 0.973 296 T CB 1.094 69.950 68.868 -0.021 0.000 1.092 296 T HN 0.339 nan 8.240 nan 0.000 0.543 297 N N 0.107 118.776 118.700 -0.052 0.000 2.451 297 N HA 0.105 4.845 4.740 -0.000 0.000 0.264 297 N C -0.603 174.848 175.510 -0.097 0.000 1.167 297 N CA -0.351 52.665 53.050 -0.057 0.000 0.898 297 N CB -0.003 38.455 38.487 -0.048 0.000 1.176 297 N HN 0.452 nan 8.380 nan 0.000 0.507 298 K N 1.094 121.416 120.400 -0.130 0.000 2.316 298 K HA 0.088 4.408 4.320 -0.000 0.000 0.289 298 K C -0.637 175.793 176.600 -0.283 0.000 1.070 298 K CA -0.322 55.810 56.287 -0.258 0.000 0.928 298 K CB 0.715 33.023 32.500 -0.321 0.000 1.039 298 K HN 0.180 nan 8.250 nan 0.000 0.480 299 N N 2.489 120.962 118.700 -0.380 0.000 2.405 299 N HA 0.373 5.113 4.740 -0.000 0.000 0.299 299 N C -1.594 173.624 175.510 -0.486 0.000 1.075 299 N CA -0.589 52.309 53.050 -0.252 0.000 0.884 299 N CB 0.684 39.104 38.487 -0.112 0.000 1.194 299 N HN 0.260 nan 8.380 nan 0.000 0.491 300 F N 1.934 121.888 119.950 0.008 0.000 2.513 300 F HA 0.290 4.817 4.527 -0.000 0.000 0.358 300 F C 0.925 176.824 175.800 0.165 0.000 1.118 300 F CA -0.767 57.295 58.000 0.103 0.000 1.037 300 F CB 0.999 40.072 39.000 0.121 0.000 1.276 300 F HN 0.668 nan 8.300 nan 0.000 0.446 301 N N 1.222 120.087 118.700 0.274 0.000 2.392 301 N HA -0.010 4.730 4.740 -0.000 0.000 0.177 301 N C 0.672 176.368 175.510 0.310 0.000 1.066 301 N CA -0.217 52.990 53.050 0.261 0.000 0.895 301 N CB 0.388 38.948 38.487 0.122 0.000 0.988 301 N HN 0.445 nan 8.380 nan 0.000 0.457 302 R N 1.235 121.915 120.500 0.301 0.000 2.287 302 R HA 0.226 4.566 4.340 -0.000 0.000 0.327 302 R C -0.900 175.474 176.300 0.124 0.000 1.109 302 R CA -0.764 55.452 56.100 0.192 0.000 1.013 302 R CB 0.160 30.551 30.300 0.152 0.000 1.126 302 R HN 0.190 nan 8.270 nan 0.000 0.503 303 L N 4.021 125.199 121.223 -0.075 0.000 2.462 303 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 303 L C 0.481 177.234 176.870 -0.195 0.000 1.166 303 L CA 0.767 55.317 54.840 -0.484 0.000 0.880 303 L CB 1.221 42.962 42.059 -0.529 0.000 1.142 303 L HN 0.727 nan 8.230 nan 0.000 0.473 304 Q N 2.374 122.070 119.800 -0.174 0.000 2.387 304 Q HA 0.247 4.587 4.340 -0.000 0.000 0.212 304 Q C -0.253 175.737 176.000 -0.017 0.000 0.925 304 Q CA 0.453 56.237 55.803 -0.033 0.000 0.901 304 Q CB 0.670 29.421 28.738 0.022 0.000 1.020 304 Q HN 0.795 nan 8.270 nan 0.000 0.545 305 D N -1.313 119.057 120.400 -0.050 0.000 2.623 305 D HA 0.457 5.097 4.640 -0.000 0.000 0.241 305 D C -1.662 174.631 176.300 -0.011 0.000 1.241 305 D CA -0.436 53.571 54.000 0.011 0.000 0.788 305 D CB 2.263 43.095 40.800 0.054 0.000 1.413 305 D HN -0.236 nan 8.370 nan 0.000 0.429 306 V N 1.971 121.899 119.914 0.023 0.000 2.876 306 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 306 V C -1.191 174.998 176.094 0.159 0.000 1.085 306 V CA -0.814 61.480 62.300 -0.011 0.000 0.945 306 V CB 1.975 33.615 31.823 -0.305 0.000 1.017 306 V HN 0.564 nan 8.190 nan 0.000 0.428 307 F N 4.045 124.032 119.950 0.062 0.000 2.573 307 F HA 0.691 5.218 4.527 -0.000 0.000 0.316 307 F C -1.294 174.623 175.800 0.195 0.000 1.148 307 F CA -0.538 57.534 58.000 0.120 0.000 0.940 307 F CB 1.377 40.442 39.000 0.109 0.000 1.214 307 F HN 0.314 nan 8.300 nan 0.000 0.448 308 L N 6.460 127.447 121.223 -0.394 0.000 2.309 308 L HA 0.581 4.921 4.340 -0.000 0.000 0.282 308 L C -1.274 175.446 176.870 -0.249 0.000 1.036 308 L CA -1.153 53.596 54.840 -0.152 0.000 0.806 308 L CB 1.784 43.802 42.059 -0.070 0.000 1.220 308 L HN 0.591 nan 8.230 nan 0.000 0.429 309 L N 5.885 127.198 121.223 0.149 0.000 2.415 309 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 309 L C -2.552 174.455 176.870 0.228 0.000 0.984 309 L CA -1.375 53.621 54.840 0.260 0.000 0.853 309 L CB 1.751 44.144 42.059 0.556 0.000 1.215 309 L HN 0.236 nan 8.230 nan 0.000 0.419 310 P HA 0.107 nan 4.420 nan 0.000 0.271 310 P C -1.032 176.365 177.300 0.161 0.000 1.218 310 P CA -0.095 63.097 63.100 0.155 0.000 0.780 310 P CB 0.583 32.362 31.700 0.132 0.000 0.901 311 D N 3.096 123.577 120.400 0.135 0.000 2.313 311 D HA 0.088 4.728 4.640 -0.000 0.000 0.247 311 D C -1.486 174.870 176.300 0.094 0.000 1.094 311 D CA -1.837 52.234 54.000 0.118 0.000 0.925 311 D CB 0.920 41.770 40.800 0.082 0.000 1.188 311 D HN 0.138 nan 8.370 nan 0.000 0.430 312 P HA -0.103 nan 4.420 nan 0.000 0.225 312 P C 1.263 178.592 177.300 0.048 0.000 1.148 312 P CA 0.793 63.930 63.100 0.060 0.000 0.779 312 P CB 0.143 31.870 31.700 0.045 0.000 0.780 313 S N -1.615 114.111 115.700 0.044 0.000 2.447 313 S HA 0.046 4.516 4.470 -0.000 0.000 0.233 313 S C 1.925 176.547 174.600 0.038 0.000 1.006 313 S CA 0.984 59.202 58.200 0.030 0.000 0.957 313 S CB -1.394 61.814 63.200 0.014 0.000 0.773 313 S HN 0.279 nan 8.310 nan 0.000 0.507 314 G N -0.039 108.794 108.800 0.056 0.000 2.179 314 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 314 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 314 G C -0.042 174.909 174.900 0.085 0.000 0.977 314 G CA 0.279 45.422 45.100 0.071 0.000 0.641 314 G HN 0.614 nan 8.290 nan 0.000 0.533 315 Q N 0.745 120.572 119.800 0.045 0.000 2.296 315 Q HA 0.400 4.740 4.340 -0.000 0.000 0.262 315 Q C 1.590 177.596 176.000 0.009 0.000 0.981 315 Q CA 0.010 55.809 55.803 -0.007 0.000 0.905 315 Q CB 0.124 28.804 28.738 -0.096 0.000 1.186 315 Q HN 0.610 nan 8.270 nan 0.000 0.399 316 W N 4.052 125.380 121.300 0.047 0.000 2.374 316 W HA -0.158 4.502 4.660 -0.000 0.000 0.288 316 W C 0.522 177.074 176.519 0.055 0.000 1.218 316 W CA 0.750 58.126 57.345 0.052 0.000 1.245 316 W CB -0.210 29.276 29.460 0.043 0.000 1.126 316 W HN 0.601 nan 8.180 nan 0.000 0.545 317 R N 0.781 120.740 120.500 -0.902 0.000 2.193 317 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 317 R C 1.330 177.476 176.300 -0.256 0.000 1.110 317 R CA 1.738 57.368 56.100 -0.782 0.000 0.988 317 R CB -0.279 29.469 30.300 -0.919 0.000 0.871 317 R HN 0.080 nan 8.270 nan 0.000 0.458 318 D N -0.370 119.937 120.400 -0.154 0.000 2.340 318 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 318 D C 0.003 176.325 176.300 0.037 0.000 1.039 318 D CA 0.534 54.506 54.000 -0.047 0.000 0.866 318 D CB 0.243 41.024 40.800 -0.031 0.000 0.913 318 D HN 0.003 nan 8.370 nan 0.000 0.523 319 T N 1.518 116.123 114.554 0.085 0.000 2.888 319 T HA 0.151 4.501 4.350 -0.000 0.000 0.301 319 T C 0.668 175.450 174.700 0.138 0.000 1.001 319 T CA -0.056 62.130 62.100 0.143 0.000 1.147 319 T CB 0.886 69.869 68.868 0.192 0.000 0.931 319 T HN -0.092 nan 8.240 nan 0.000 0.541 320 R N 2.023 122.609 120.500 0.143 0.000 2.297 320 R HA 0.473 4.813 4.340 -0.000 0.000 0.308 320 R C -0.751 175.627 176.300 0.129 0.000 1.029 320 R CA -0.471 55.676 56.100 0.078 0.000 0.929 320 R CB 0.943 31.254 30.300 0.019 0.000 1.046 320 R HN 0.375 nan 8.270 nan 0.000 0.461 321 V N 4.950 124.912 119.914 0.081 0.000 2.313 321 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 321 V C -0.853 175.305 176.094 0.107 0.000 1.017 321 V CA -0.769 61.618 62.300 0.147 0.000 0.823 321 V CB 0.401 32.348 31.823 0.207 0.000 1.010 321 V HN 0.626 nan 8.190 nan 0.000 0.443 322 Y N 2.486 122.906 120.300 0.199 0.000 2.313 322 Y HA 0.676 5.226 4.550 0.000 0.000 0.332 322 Y C 0.926 176.938 175.900 0.188 0.000 1.071 322 Y CA -0.076 58.146 58.100 0.203 0.000 1.169 322 Y CB 1.917 40.511 38.460 0.222 0.000 1.192 322 Y HN 0.687 nan 8.280 nan 0.000 0.487 323 G N 2.052 111.089 108.800 0.394 0.000 2.566 323 G HA2 0.549 4.509 3.960 -0.000 0.000 0.311 323 G HA3 0.549 4.509 3.960 -0.000 0.000 0.311 323 G C -1.752 173.351 174.900 0.338 0.000 1.322 323 G CA -0.714 44.566 45.100 0.301 0.000 0.969 323 G HN 0.444 nan 8.290 nan 0.000 0.490 324 V N 2.115 122.083 119.914 0.091 0.000 2.370 324 V HA 0.555 4.675 4.120 -0.000 0.000 0.279 324 V C -0.770 175.366 176.094 0.070 0.000 1.029 324 V CA -0.500 61.893 62.300 0.154 0.000 0.870 324 V CB 0.393 32.274 31.823 0.097 0.000 0.984 324 V HN 0.512 nan 8.190 nan 0.000 0.451 325 F N 2.332 122.344 119.950 0.102 0.000 2.522 325 F HA 0.777 5.304 4.527 -0.000 0.000 0.324 325 F C 0.576 176.534 175.800 0.264 0.000 1.077 325 F CA -0.541 57.565 58.000 0.176 0.000 0.944 325 F CB 2.274 41.396 39.000 0.203 0.000 1.175 325 F HN 0.557 nan 8.300 nan 0.000 0.468 326 S N 0.919 116.917 115.700 0.497 0.000 2.745 326 S HA 0.766 5.236 4.470 -0.000 0.000 0.306 326 S C -0.967 173.881 174.600 0.414 0.000 1.137 326 S CA -0.958 57.541 58.200 0.498 0.000 0.900 326 S CB 2.368 65.820 63.200 0.420 0.000 1.176 326 S HN 0.806 nan 8.310 nan 0.000 0.520 327 N N -1.021 117.848 118.700 0.282 0.000 3.167 327 N HA 0.502 5.242 4.740 -0.000 0.000 0.323 327 N C -2.655 172.857 175.510 0.003 0.000 1.478 327 N CA -2.198 50.922 53.050 0.116 0.000 0.753 327 N CB 0.829 39.328 38.487 0.020 0.000 1.721 327 N HN 0.212 nan 8.380 nan 0.000 0.618 328 P HA -0.059 nan 4.420 nan 0.000 0.223 328 P C 0.109 177.113 177.300 -0.492 0.000 1.144 328 P CA 1.035 63.933 63.100 -0.337 0.000 0.783 328 P CB 0.059 31.442 31.700 -0.530 0.000 0.771 329 W N -1.651 119.431 121.300 -0.364 0.000 3.278 329 W HA 0.192 4.852 4.660 -0.000 0.000 0.308 329 W C 0.186 176.355 176.519 -0.582 0.000 1.253 329 W CA -0.086 56.907 57.345 -0.587 0.000 1.759 329 W CB -0.631 28.196 29.460 -1.055 0.000 1.093 329 W HN 0.054 nan 8.180 nan 0.000 0.648 330 N N -0.719 117.855 118.700 -0.211 0.000 2.815 330 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 330 N C -0.986 174.609 175.510 0.142 0.000 1.114 330 N CA 0.913 53.792 53.050 -0.285 0.000 0.717 330 N CB -2.041 36.089 38.487 -0.595 0.000 1.074 330 N HN -0.010 nan 8.380 nan 0.000 0.555 331 Y N -0.192 120.218 120.300 0.185 0.000 2.376 331 Y HA 0.661 5.211 4.550 -0.000 0.000 0.325 331 Y C 1.156 177.307 175.900 0.419 0.000 1.199 331 Y CA -1.502 56.756 58.100 0.263 0.000 1.206 331 Y CB 1.356 39.988 38.460 0.287 0.000 1.229 331 Y HN -0.021 nan 8.280 nan 0.000 0.480 332 S N 0.204 116.187 115.700 0.472 0.000 2.671 332 S HA 0.998 5.468 4.470 -0.000 0.000 0.299 332 S C -0.909 173.572 174.600 -0.198 0.000 1.116 332 S CA -0.865 57.506 58.200 0.285 0.000 0.912 332 S CB 2.357 65.755 63.200 0.331 0.000 1.130 332 S HN 0.809 nan 8.310 nan 0.000 0.501 333 A N 0.305 122.871 122.820 -0.424 0.000 2.609 333 A HA 0.811 5.131 4.320 -0.000 0.000 0.291 333 A C -1.704 175.703 177.584 -0.295 0.000 1.096 333 A CA -0.736 50.881 52.037 -0.700 0.000 0.684 333 A CB 1.302 19.439 19.000 -1.438 0.000 1.282 333 A HN 0.735 nan 8.150 nan 0.000 0.412 334 V N 0.195 119.924 119.914 -0.309 0.000 2.483 334 V HA 0.480 4.600 4.120 -0.000 0.000 0.297 334 V C -0.514 175.572 176.094 -0.014 0.000 1.027 334 V CA -0.500 61.789 62.300 -0.019 0.000 0.855 334 V CB 1.077 32.938 31.823 0.063 0.000 0.995 334 V HN 1.033 nan 8.190 nan 0.000 0.424 335 c N 4.365 122.985 118.600 0.032 0.000 2.529 335 c HA 0.841 5.411 4.570 -0.000 0.000 0.329 335 c C -0.089 173.830 174.090 -0.285 0.000 1.194 335 c CA -0.577 55.624 56.329 -0.213 0.000 1.779 335 c CB 1.852 44.117 42.510 -0.409 0.000 2.322 335 c HN 0.665 nan 8.230 nan 0.000 0.500 336 V N 2.704 122.285 119.914 -0.555 0.000 2.483 336 V HA 0.503 4.623 4.120 -0.000 0.000 0.297 336 V C -1.209 174.515 176.094 -0.615 0.000 1.027 336 V CA -0.580 61.369 62.300 -0.586 0.000 0.855 336 V CB 0.814 32.255 31.823 -0.637 0.000 0.995 336 V HN 0.818 nan 8.190 nan 0.000 0.424 337 Y N 1.448 121.670 120.300 -0.128 0.000 2.549 337 Y HA 0.737 5.287 4.550 -0.000 0.000 0.339 337 Y C 0.634 176.513 175.900 -0.036 0.000 1.053 337 Y CA -0.938 57.130 58.100 -0.053 0.000 1.105 337 Y CB 2.069 40.542 38.460 0.021 0.000 1.258 337 Y HN 0.669 nan 8.280 nan 0.000 0.478 338 S N 0.642 116.434 115.700 0.154 0.000 2.549 338 S HA 0.356 4.826 4.470 -0.000 0.000 0.297 338 S C 0.247 174.952 174.600 0.175 0.000 1.115 338 S CA -0.666 57.599 58.200 0.109 0.000 1.059 338 S CB 1.298 64.516 63.200 0.029 0.000 1.046 338 S HN 0.588 nan 8.310 nan 0.000 0.506 339 L N 3.156 124.512 121.223 0.222 0.000 2.079 339 L HA 0.108 4.448 4.340 -0.000 0.000 0.210 339 L C 2.615 179.673 176.870 0.314 0.000 1.081 339 L CA 2.312 57.378 54.840 0.376 0.000 0.752 339 L CB -1.608 40.728 42.059 0.461 0.000 0.896 339 L HN 1.055 nan 8.230 nan 0.000 0.433 340 G N -1.146 107.689 108.800 0.058 0.000 2.440 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 340 G C 1.306 176.230 174.900 0.040 0.000 1.154 340 G CA 0.890 45.946 45.100 -0.073 0.000 0.767 340 G HN 0.338 nan 8.290 nan 0.000 0.552 341 D N 0.556 120.980 120.400 0.041 0.000 2.117 341 D HA -0.053 4.587 4.640 -0.000 0.000 0.198 341 D C 2.587 178.885 176.300 -0.003 0.000 0.982 341 D CA 0.440 54.453 54.000 0.022 0.000 0.828 341 D CB -0.218 40.601 40.800 0.032 0.000 0.967 341 D HN 0.380 nan 8.370 nan 0.000 0.464 342 I N 0.696 121.278 120.570 0.020 0.000 2.226 342 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 342 I C 2.113 178.180 176.117 -0.084 0.000 1.100 342 I CA 1.324 62.542 61.300 -0.137 0.000 1.374 342 I CB -0.222 37.719 38.000 -0.099 0.000 1.057 342 I HN -0.056 nan 8.210 nan 0.000 0.413 343 D N 1.077 121.621 120.400 0.240 0.000 2.117 343 D HA -0.255 4.385 4.640 -0.000 0.000 0.197 343 D C 2.228 178.655 176.300 0.212 0.000 0.987 343 D CA 1.335 55.563 54.000 0.380 0.000 0.829 343 D CB -0.022 41.118 40.800 0.566 0.000 0.961 343 D HN 0.096 nan 8.370 nan 0.000 0.460 344 K N -0.164 120.309 120.400 0.121 0.000 2.147 344 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 344 K C 1.890 178.497 176.600 0.012 0.000 1.049 344 K CA 0.969 57.296 56.287 0.067 0.000 0.936 344 K CB -0.003 32.514 32.500 0.030 0.000 0.722 344 K HN 0.074 nan 8.250 nan 0.000 0.446 345 V N 0.757 120.622 119.914 -0.083 0.000 2.307 345 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 345 V C 1.964 177.985 176.094 -0.122 0.000 1.045 345 V CA 1.770 63.965 62.300 -0.174 0.000 1.024 345 V CB -0.505 31.098 31.823 -0.368 0.000 0.651 345 V HN 0.303 nan 8.190 nan 0.000 0.449 346 F N 0.663 120.581 119.950 -0.053 0.000 2.269 346 F HA -0.155 4.372 4.527 -0.000 0.000 0.301 346 F C 2.452 178.236 175.800 -0.025 0.000 1.082 346 F CA 1.408 59.367 58.000 -0.068 0.000 1.360 346 F CB -0.040 38.905 39.000 -0.092 0.000 1.041 346 F HN 0.205 nan 8.300 nan 0.000 0.512 347 R N -0.308 120.302 120.500 0.183 0.000 2.362 347 R HA 0.109 4.449 4.340 -0.000 0.000 0.227 347 R C 1.001 177.350 176.300 0.082 0.000 0.905 347 R CA 1.160 57.334 56.100 0.124 0.000 1.067 347 R CB -0.380 29.993 30.300 0.123 0.000 1.078 347 R HN 0.238 nan 8.270 nan 0.000 0.516 348 T N -3.600 110.991 114.554 0.062 0.000 2.966 348 T HA 0.105 4.455 4.350 -0.000 0.000 0.254 348 T C 0.684 175.402 174.700 0.030 0.000 0.961 348 T CA -0.018 62.107 62.100 0.042 0.000 0.915 348 T CB 0.272 69.158 68.868 0.030 0.000 1.186 348 T HN 0.087 nan 8.240 nan 0.000 0.505 349 S N 2.803 118.515 115.700 0.021 0.000 2.564 349 S HA 0.484 4.954 4.470 -0.000 0.000 0.278 349 S C 0.661 175.278 174.600 0.028 0.000 1.333 349 S CA -0.244 57.962 58.200 0.010 0.000 1.048 349 S CB 0.380 63.568 63.200 -0.021 0.000 0.900 349 S HN 0.770 nan 8.310 nan 0.000 0.505 350 S N 4.873 120.590 115.700 0.028 0.000 2.634 350 S HA 0.513 4.983 4.470 -0.000 0.000 0.261 350 S C -0.067 174.551 174.600 0.030 0.000 1.271 350 S CA -0.896 57.327 58.200 0.038 0.000 0.985 350 S CB 0.043 63.269 63.200 0.044 0.000 0.968 350 S HN 0.686 nan 8.310 nan 0.000 0.568 351 L N 0.696 121.933 121.223 0.023 0.000 2.322 351 L HA 0.496 4.835 4.340 -0.000 0.000 0.279 351 L C 0.387 177.254 176.870 -0.005 0.000 1.036 351 L CA -0.967 53.883 54.840 0.017 0.000 0.807 351 L CB 1.042 43.097 42.059 -0.006 0.000 1.226 351 L HN 0.768 nan 8.230 nan 0.000 0.433 352 K N 1.448 121.873 120.400 0.041 0.000 2.416 352 K HA 0.260 4.580 4.320 -0.000 0.000 0.283 352 K C 0.962 177.600 176.600 0.064 0.000 1.037 352 K CA 0.925 57.241 56.287 0.049 0.000 0.995 352 K CB 0.387 32.935 32.500 0.079 0.000 0.938 352 K HN 0.822 nan 8.250 nan 0.000 0.475 353 G N 3.148 111.908 108.800 -0.067 0.000 2.176 353 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.253 353 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.253 353 G C -0.574 173.998 174.900 -0.547 0.000 0.979 353 G CA 0.439 45.486 45.100 -0.089 0.000 0.641 353 G HN 0.688 nan 8.290 nan 0.000 0.530 354 Y N 2.030 121.768 120.300 -0.936 0.000 2.388 354 Y HA 0.619 5.169 4.550 0.000 0.000 0.328 354 Y C 0.547 176.029 175.900 -0.697 0.000 0.963 354 Y CA -1.072 56.496 58.100 -0.886 0.000 1.240 354 Y CB 0.817 38.794 38.460 -0.806 0.000 1.118 354 Y HN 0.242 nan 8.280 nan 0.000 0.484 355 H N 4.138 122.951 119.070 -0.427 0.000 2.533 355 H HA 0.309 4.865 4.556 0.000 0.000 0.281 355 H C -0.507 174.615 175.328 -0.344 0.000 1.238 355 H CA -0.058 55.819 56.048 -0.285 0.000 1.024 355 H CB -0.069 29.590 29.762 -0.171 0.000 1.604 355 H HN 0.546 nan 8.280 nan 0.000 0.531 356 S N -0.571 114.860 115.700 -0.448 0.000 2.596 356 S HA 0.323 4.793 4.470 -0.000 0.000 0.270 356 S C -0.166 174.373 174.600 -0.101 0.000 1.155 356 S CA -1.013 57.014 58.200 -0.289 0.000 0.827 356 S CB 1.795 64.767 63.200 -0.379 0.000 1.130 356 S HN 0.279 nan 8.310 nan 0.000 0.467 357 S N 1.199 116.901 115.700 0.004 0.000 2.573 357 S HA 0.229 4.699 4.470 -0.000 0.000 0.297 357 S C 0.262 174.983 174.600 0.201 0.000 1.280 357 S CA -0.501 57.750 58.200 0.085 0.000 1.061 357 S CB -0.688 62.544 63.200 0.055 0.000 0.812 357 S HN 0.643 nan 8.310 nan 0.000 0.500 358 L N 2.869 124.201 121.223 0.183 0.000 2.453 358 L HA 0.395 4.735 4.340 -0.000 0.000 0.261 358 L C -1.787 175.140 176.870 0.095 0.000 1.179 358 L CA -2.154 52.780 54.840 0.156 0.000 0.813 358 L CB -0.329 41.775 42.059 0.076 0.000 1.110 358 L HN 0.479 nan 8.230 nan 0.000 0.466 359 P HA 0.016 nan 4.420 nan 0.000 0.269 359 P C 0.249 177.576 177.300 0.044 0.000 1.217 359 P CA -0.263 62.866 63.100 0.048 0.000 0.783 359 P CB 0.443 32.158 31.700 0.025 0.000 0.898 360 N N 1.398 120.124 118.700 0.044 0.000 2.004 360 N HA -0.075 4.665 4.740 -0.000 0.000 0.196 360 N C -1.460 174.075 175.510 0.042 0.000 1.064 360 N CA 1.297 54.372 53.050 0.041 0.000 0.855 360 N CB -1.796 36.714 38.487 0.037 0.000 1.056 360 N HN 0.302 nan 8.380 nan 0.000 0.423 361 P HA 0.065 nan 4.420 nan 0.000 0.263 361 P C -0.472 176.853 177.300 0.042 0.000 1.247 361 P CA 0.160 63.287 63.100 0.045 0.000 0.876 361 P CB -0.062 31.665 31.700 0.045 0.000 0.928 362 R N 5.653 126.179 120.500 0.042 0.000 2.585 362 R HA 0.089 4.428 4.340 -0.000 0.000 0.275 362 R C -2.103 174.215 176.300 0.030 0.000 1.018 362 R CA -1.241 54.880 56.100 0.034 0.000 1.072 362 R CB -0.274 30.051 30.300 0.042 0.000 0.953 362 R HN 0.271 nan 8.270 nan 0.000 0.419 363 P HA 0.004 nan 4.420 nan 0.000 0.265 363 P C 0.206 177.513 177.300 0.011 0.000 1.193 363 P CA 1.199 64.309 63.100 0.016 0.000 0.765 363 P CB 0.853 32.543 31.700 -0.017 0.000 0.823 364 G N 2.011 110.815 108.800 0.008 0.000 2.268 364 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.240 364 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.240 364 G C 0.308 175.194 174.900 -0.023 0.000 1.010 364 G CA 0.035 45.104 45.100 -0.052 0.000 0.618 364 G HN 0.668 nan 8.290 nan 0.000 0.516 365 K N 1.148 121.561 120.400 0.021 0.000 2.322 365 K HA 0.474 4.794 4.320 -0.000 0.000 0.283 365 K C 0.741 177.378 176.600 0.061 0.000 1.042 365 K CA -0.309 56.003 56.287 0.042 0.000 0.958 365 K CB 0.056 32.591 32.500 0.059 0.000 0.984 365 K HN 0.296 nan 8.250 nan 0.000 0.473 366 c N 4.357 123.001 118.600 0.073 0.000 2.604 366 c HA 0.328 4.898 4.570 -0.000 0.000 0.396 366 c C 0.241 174.443 174.090 0.187 0.000 1.282 366 c CA -0.880 55.520 56.329 0.119 0.000 2.292 366 c CB -0.478 42.103 42.510 0.118 0.000 2.633 366 c HN 0.685 nan 8.230 nan 0.000 0.620 367 L N 2.731 124.042 121.223 0.147 0.000 2.317 367 L HA 0.326 4.666 4.340 -0.000 0.000 0.281 367 L C -1.602 175.235 176.870 -0.056 0.000 1.024 367 L CA -1.426 53.453 54.840 0.066 0.000 0.810 367 L CB 1.290 43.359 42.059 0.017 0.000 1.240 367 L HN 0.439 nan 8.230 nan 0.000 0.427 368 P HA -0.183 nan 4.420 nan 0.000 0.216 368 P C -0.459 176.615 177.300 -0.378 0.000 0.997 368 P CA 0.874 63.489 63.100 -0.809 0.000 0.967 368 P CB 0.074 31.381 31.700 -0.654 0.000 0.588 369 D N 0.578 120.822 120.400 -0.259 0.000 2.669 369 D HA 0.001 4.641 4.640 -0.000 0.000 0.229 369 D C -0.060 176.188 176.300 -0.087 0.000 1.092 369 D CA 0.391 54.306 54.000 -0.141 0.000 1.175 369 D CB -1.259 39.476 40.800 -0.109 0.000 1.133 369 D HN 0.191 nan 8.370 nan 0.000 0.471 370 Q N 0.110 119.869 119.800 -0.068 0.000 2.408 370 Q HA -0.312 4.028 4.340 -0.000 0.000 0.290 370 Q C -0.570 175.405 176.000 -0.042 0.000 1.221 370 Q CA 0.545 56.323 55.803 -0.041 0.000 0.895 370 Q CB -1.279 27.439 28.738 -0.033 0.000 1.241 370 Q HN 0.638 nan 8.270 nan 0.000 0.494 371 Q N 1.366 121.138 119.800 -0.046 0.000 2.267 371 Q HA 0.344 4.684 4.340 -0.000 0.000 0.255 371 Q C -1.978 174.004 176.000 -0.029 0.000 0.923 371 Q CA -1.622 54.158 55.803 -0.037 0.000 0.925 371 Q CB 0.673 29.388 28.738 -0.038 0.000 1.195 371 Q HN 0.104 nan 8.270 nan 0.000 0.417 372 P HA 0.086 nan 4.420 nan 0.000 0.274 372 P C -0.521 176.764 177.300 -0.025 0.000 1.237 372 P CA -0.407 62.666 63.100 -0.044 0.000 0.793 372 P CB 0.749 32.413 31.700 -0.060 0.000 0.977 373 I N 2.455 123.009 120.570 -0.026 0.000 2.618 373 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 373 I C -1.933 174.201 176.117 0.028 0.000 1.146 373 I CA -2.441 58.867 61.300 0.014 0.000 1.425 373 I CB -0.797 37.226 38.000 0.037 0.000 1.383 373 I HN 0.168 nan 8.210 nan 0.000 0.562 374 P HA 0.062 nan 4.420 nan 0.000 0.266 374 P C 0.969 178.329 177.300 0.101 0.000 1.195 374 P CA 0.174 63.307 63.100 0.055 0.000 0.768 374 P CB 0.467 32.196 31.700 0.049 0.000 0.838 375 T N 1.336 115.949 114.554 0.098 0.000 2.699 375 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 375 T C 1.480 176.263 174.700 0.138 0.000 1.036 375 T CA 1.528 63.719 62.100 0.152 0.000 1.147 375 T CB -0.444 68.488 68.868 0.106 0.000 0.862 375 T HN 0.587 nan 8.240 nan 0.000 0.446 376 E N 1.109 121.360 120.200 0.085 0.000 2.110 376 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 376 E C 2.140 178.766 176.600 0.044 0.000 0.988 376 E CA 1.216 57.650 56.400 0.057 0.000 0.804 376 E CB -1.108 28.622 29.700 0.050 0.000 0.745 376 E HN 0.387 nan 8.360 nan 0.000 0.458 377 T N 1.183 115.778 114.554 0.068 0.000 2.770 377 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 377 T C 1.351 176.104 174.700 0.088 0.000 1.039 377 T CA 1.157 63.292 62.100 0.058 0.000 1.142 377 T CB -0.443 68.469 68.868 0.073 0.000 0.868 377 T HN 0.203 nan 8.240 nan 0.000 0.435 378 F N 2.142 122.089 119.950 -0.005 0.000 2.216 378 F HA -0.054 4.473 4.527 0.000 0.000 0.300 378 F C 2.275 178.071 175.800 -0.007 0.000 1.085 378 F CA 1.170 59.169 58.000 -0.001 0.000 1.326 378 F CB -0.470 38.530 39.000 0.001 0.000 1.027 378 F HN 0.156 nan 8.300 nan 0.000 0.497 379 Q N -0.460 119.184 119.800 -0.261 0.000 2.230 379 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 379 Q C 2.338 178.170 176.000 -0.280 0.000 0.963 379 Q CA 1.435 57.017 55.803 -0.368 0.000 0.866 379 Q CB -0.193 28.462 28.738 -0.139 0.000 0.931 379 Q HN 0.372 nan 8.270 nan 0.000 0.452 380 V N 0.802 120.589 119.914 -0.211 0.000 2.323 380 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 380 V C 2.282 178.261 176.094 -0.191 0.000 1.041 380 V CA 1.757 63.910 62.300 -0.246 0.000 1.025 380 V CB -0.844 30.728 31.823 -0.418 0.000 0.656 380 V HN 0.347 nan 8.190 nan 0.000 0.451 381 A N 0.070 122.786 122.820 -0.173 0.000 1.902 381 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 381 A C 2.023 179.532 177.584 -0.126 0.000 1.181 381 A CA 2.269 54.257 52.037 -0.081 0.000 0.623 381 A CB -0.723 18.294 19.000 0.029 0.000 0.818 381 A HN 0.574 nan 8.150 nan 0.000 0.443 382 D N -1.214 118.965 120.400 -0.368 0.000 2.219 382 D HA -0.125 4.514 4.640 -0.000 0.000 0.205 382 D C 2.056 178.192 176.300 -0.273 0.000 0.970 382 D CA 1.208 54.964 54.000 -0.406 0.000 0.851 382 D CB -0.051 40.222 40.800 -0.877 0.000 0.943 382 D HN 0.494 nan 8.370 nan 0.000 0.488 383 R N -1.393 118.941 120.500 -0.275 0.000 2.189 383 R HA 0.064 4.404 4.340 -0.000 0.000 0.203 383 R C 0.106 176.074 176.300 -0.553 0.000 1.012 383 R CA 0.459 56.342 56.100 -0.363 0.000 1.015 383 R CB 0.177 30.273 30.300 -0.340 0.000 0.938 383 R HN 0.197 nan 8.270 nan 0.000 0.472 384 H N 0.069 119.086 119.070 -0.088 0.000 2.336 384 H HA 0.215 4.771 4.556 -0.000 0.000 0.230 384 H C -1.985 173.338 175.328 -0.008 0.000 1.426 384 H CA -1.713 54.309 56.048 -0.044 0.000 1.359 384 H CB 1.618 31.339 29.762 -0.069 0.000 1.555 384 H HN 0.168 nan 8.280 nan 0.000 0.512 385 P HA -0.144 nan 4.420 nan 0.000 0.223 385 P C 0.358 177.781 177.300 0.205 0.000 1.151 385 P CA 0.778 64.002 63.100 0.207 0.000 0.787 385 P CB 0.801 32.666 31.700 0.275 0.000 0.788 386 E N 1.197 121.492 120.200 0.157 0.000 2.167 386 E HA 0.289 4.639 4.350 -0.000 0.000 0.284 386 E C 0.029 176.682 176.600 0.089 0.000 1.016 386 E CA -0.850 55.622 56.400 0.120 0.000 0.817 386 E CB 1.208 30.966 29.700 0.097 0.000 1.080 386 E HN -0.140 nan 8.360 nan 0.000 0.397 387 V N 1.954 121.911 119.914 0.072 0.000 3.051 387 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 387 V C 1.000 177.100 176.094 0.011 0.000 1.083 387 V CA 0.500 62.826 62.300 0.043 0.000 1.104 387 V CB 1.202 33.044 31.823 0.032 0.000 1.027 387 V HN 0.828 nan 8.190 nan 0.000 0.483 388 A N 2.252 125.077 122.820 0.008 0.000 1.903 388 A HA 0.072 4.392 4.320 -0.000 0.000 0.213 388 A C 1.364 178.936 177.584 -0.019 0.000 1.185 388 A CA 1.006 53.046 52.037 0.006 0.000 0.628 388 A CB -0.543 18.470 19.000 0.022 0.000 0.830 388 A HN 1.103 nan 8.150 nan 0.000 0.446 389 Q N 0.119 119.897 119.800 -0.038 0.000 2.327 389 Q HA 0.471 4.811 4.340 -0.000 0.000 0.254 389 Q C -0.828 175.116 176.000 -0.093 0.000 0.952 389 Q CA -0.657 55.113 55.803 -0.055 0.000 0.884 389 Q CB 0.759 29.465 28.738 -0.053 0.000 1.224 389 Q HN 0.251 nan 8.270 nan 0.000 0.422 390 R N 1.371 121.824 120.500 -0.077 0.000 2.531 390 R HA 0.350 4.690 4.340 -0.000 0.000 0.273 390 R C -0.825 175.409 176.300 -0.109 0.000 1.070 390 R CA -0.459 55.586 56.100 -0.092 0.000 1.112 390 R CB 1.262 31.530 30.300 -0.052 0.000 1.049 390 R HN 0.545 nan 8.270 nan 0.000 0.508 391 V N 3.185 123.011 119.914 -0.147 0.000 2.406 391 V HA 0.189 4.309 4.120 -0.000 0.000 0.272 391 V C 0.259 176.372 176.094 0.030 0.000 1.043 391 V CA -0.138 62.082 62.300 -0.133 0.000 0.915 391 V CB 0.840 32.489 31.823 -0.290 0.000 0.988 391 V HN 0.668 nan 8.190 nan 0.000 0.466 392 E N 5.865 126.133 120.200 0.114 0.000 2.243 392 E HA 0.466 4.816 4.350 -0.000 0.000 0.260 392 E C -2.536 174.199 176.600 0.226 0.000 0.985 392 E CA -2.062 54.443 56.400 0.176 0.000 0.858 392 E CB 1.313 31.040 29.700 0.044 0.000 1.210 392 E HN 0.427 nan 8.360 nan 0.000 0.411 393 P HA -0.030 nan 4.420 nan 0.000 0.271 393 P C -0.453 176.744 177.300 -0.172 0.000 1.233 393 P CA 0.289 63.163 63.100 -0.377 0.000 0.789 393 P CB 0.439 31.898 31.700 -0.401 0.000 0.951 394 M N 0.695 120.169 119.600 -0.209 0.000 2.250 394 M HA 0.274 4.754 4.480 -0.000 0.000 0.325 394 M C 1.148 177.389 176.300 -0.099 0.000 1.084 394 M CA 0.852 56.080 55.300 -0.121 0.000 1.161 394 M CB -0.657 31.861 32.600 -0.138 0.000 1.481 394 M HN 0.659 nan 8.290 nan 0.000 0.449 395 G N 2.298 111.056 108.800 -0.070 0.000 2.939 395 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.278 395 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.278 395 G C -2.851 172.018 174.900 -0.051 0.000 1.487 395 G CA -1.349 43.716 45.100 -0.058 0.000 0.935 395 G HN 0.496 nan 8.290 nan 0.000 0.553 396 P HA 0.318 nan 4.420 nan 0.000 0.264 396 P C 0.689 177.968 177.300 -0.036 0.000 1.179 396 P CA 0.408 63.487 63.100 -0.035 0.000 0.763 396 P CB 0.136 31.816 31.700 -0.033 0.000 0.806 397 L N 0.401 121.606 121.223 -0.029 0.000 3.291 397 L HA -0.236 4.104 4.340 -0.000 0.000 0.659 397 L C -0.005 176.844 176.870 -0.035 0.000 1.042 397 L CA 0.328 55.153 54.840 -0.025 0.000 1.256 397 L CB -1.125 40.923 42.059 -0.018 0.000 1.596 397 L HN 0.511 nan 8.230 nan 0.000 0.819 398 K N 1.476 121.853 120.400 -0.037 0.000 2.083 398 K HA 0.263 4.583 4.320 -0.000 0.000 0.246 398 K C 0.366 176.932 176.600 -0.057 0.000 1.160 398 K CA 0.085 56.338 56.287 -0.056 0.000 1.060 398 K CB 0.562 33.039 32.500 -0.040 0.000 1.417 398 K HN 0.325 nan 8.250 nan 0.000 0.329 399 T N 1.542 116.060 114.554 -0.060 0.000 2.916 399 T HA 0.466 4.816 4.350 -0.000 0.000 0.292 399 T C -2.598 172.065 174.700 -0.061 0.000 1.064 399 T CA -2.541 59.537 62.100 -0.035 0.000 1.011 399 T CB 1.193 70.069 68.868 0.013 0.000 1.152 399 T HN 0.049 nan 8.240 nan 0.000 0.510 400 P HA 0.207 nan 4.420 nan 0.000 0.272 400 P C 0.562 177.882 177.300 0.032 0.000 1.230 400 P CA -0.496 62.564 63.100 -0.067 0.000 0.788 400 P CB 0.459 32.093 31.700 -0.110 0.000 0.949 401 L N 1.208 122.471 121.223 0.067 0.000 2.083 401 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 401 L C 0.841 177.937 176.870 0.377 0.000 1.083 401 L CA 1.984 56.949 54.840 0.209 0.000 0.752 401 L CB -1.128 41.111 42.059 0.301 0.000 0.899 401 L HN 0.558 nan 8.230 nan 0.000 0.433 402 F N -3.293 116.673 119.950 0.026 0.000 2.878 402 F HA 0.476 5.003 4.527 -0.000 0.000 0.322 402 F C -0.893 174.913 175.800 0.009 0.000 1.154 402 F CA -1.825 56.175 58.000 -0.000 0.000 0.896 402 F CB 0.463 39.455 39.000 -0.013 0.000 1.313 402 F HN 0.110 nan 8.300 nan 0.000 0.451 403 H N -0.300 118.615 119.070 -0.258 0.000 3.016 403 H HA 0.914 5.470 4.556 -0.000 0.000 0.362 403 H C -1.181 174.126 175.328 -0.036 0.000 1.233 403 H CA -0.411 55.413 56.048 -0.374 0.000 1.124 403 H CB 1.842 31.425 29.762 -0.299 0.000 1.850 403 H HN 1.317 nan 8.280 nan 0.000 0.549 404 S N 0.330 116.104 115.700 0.123 0.000 2.672 404 S HA 0.345 4.815 4.470 -0.000 0.000 0.271 404 S C -0.473 174.130 174.600 0.006 0.000 1.171 404 S CA -1.199 57.076 58.200 0.126 0.000 0.817 404 S CB 1.448 64.836 63.200 0.313 0.000 1.150 404 S HN 0.716 nan 8.310 nan 0.000 0.478 405 K N -0.159 120.095 120.400 -0.243 0.000 2.437 405 K HA 0.206 4.526 4.320 -0.000 0.000 0.198 405 K C -0.819 175.595 176.600 -0.310 0.000 1.024 405 K CA 0.108 56.008 56.287 -0.646 0.000 1.148 405 K CB -0.200 31.759 32.500 -0.900 0.000 0.860 405 K HN 0.446 nan 8.250 nan 0.000 0.515 406 Y N -0.091 120.113 120.300 -0.161 0.000 2.307 406 Y HA 0.082 4.632 4.550 -0.000 0.000 0.324 406 Y C 0.543 176.284 175.900 -0.265 0.000 1.238 406 Y CA -0.607 57.330 58.100 -0.271 0.000 1.280 406 Y CB 0.618 38.732 38.460 -0.577 0.000 1.248 406 Y HN 0.021 nan 8.280 nan 0.000 0.508 407 H N 2.575 121.583 119.070 -0.104 0.000 2.724 407 H HA 0.287 4.843 4.556 -0.000 0.000 0.278 407 H C -1.633 173.658 175.328 -0.062 0.000 1.159 407 H CA -1.111 54.921 56.048 -0.026 0.000 1.254 407 H CB -0.721 29.082 29.762 0.069 0.000 1.412 407 H HN 0.371 nan 8.280 nan 0.000 0.488 408 Y N 2.780 123.145 120.300 0.110 0.000 2.304 408 Y HA 0.158 4.708 4.550 -0.000 0.000 0.328 408 Y C 1.420 177.242 175.900 -0.130 0.000 1.123 408 Y CA -0.264 57.812 58.100 -0.040 0.000 1.218 408 Y CB 1.341 39.807 38.460 0.011 0.000 1.207 408 Y HN 0.653 nan 8.280 nan 0.000 0.495 409 Q N 1.335 121.157 119.800 0.035 0.000 2.422 409 Q HA 0.241 4.581 4.340 -0.000 0.000 0.255 409 Q C -0.412 175.601 176.000 0.023 0.000 0.864 409 Q CA 0.306 56.091 55.803 -0.029 0.000 0.968 409 Q CB 0.989 29.674 28.738 -0.088 0.000 1.130 409 Q HN 0.535 nan 8.270 nan 0.000 0.556 410 K N 0.339 120.757 120.400 0.029 0.000 2.443 410 K HA 0.659 4.979 4.320 -0.000 0.000 0.251 410 K C -1.616 174.985 176.600 0.001 0.000 0.972 410 K CA -0.641 55.665 56.287 0.032 0.000 0.833 410 K CB 3.405 35.929 32.500 0.039 0.000 1.317 410 K HN -0.158 nan 8.250 nan 0.000 0.441 411 V N 0.319 120.240 119.914 0.012 0.000 2.971 411 V HA 0.869 4.989 4.120 -0.000 0.000 0.309 411 V C -1.852 174.157 176.094 -0.143 0.000 1.130 411 V CA -0.389 61.879 62.300 -0.054 0.000 0.964 411 V CB 1.885 33.698 31.823 -0.016 0.000 1.029 411 V HN 0.951 nan 8.190 nan 0.000 0.427 412 A N 4.966 127.579 122.820 -0.344 0.000 2.488 412 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 412 A C -1.591 175.522 177.584 -0.786 0.000 1.044 412 A CA -0.489 51.027 52.037 -0.870 0.000 0.693 412 A CB 2.075 20.798 19.000 -0.462 0.000 1.272 412 A HN 1.196 nan 8.150 nan 0.000 0.402 413 V N 1.815 120.941 119.914 -1.313 0.000 2.680 413 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 413 V C -0.785 175.290 176.094 -0.032 0.000 1.052 413 V CA -0.551 61.456 62.300 -0.488 0.000 0.908 413 V CB 1.892 33.362 31.823 -0.588 0.000 1.001 413 V HN 1.009 nan 8.190 nan 0.000 0.431 414 H N 3.604 122.707 119.070 0.056 0.000 2.727 414 H HA 0.506 5.062 4.556 -0.000 0.000 0.330 414 H C -0.380 174.999 175.328 0.084 0.000 0.986 414 H CA -0.627 55.505 56.048 0.139 0.000 1.251 414 H CB 0.977 30.889 29.762 0.250 0.000 1.493 414 H HN 0.660 nan 8.280 nan 0.000 0.515 415 R N 5.787 126.175 120.500 -0.188 0.000 2.308 415 R HA 0.384 4.724 4.340 -0.000 0.000 0.305 415 R C -0.681 175.246 176.300 -0.622 0.000 1.053 415 R CA -0.492 55.332 56.100 -0.460 0.000 0.957 415 R CB 0.422 30.505 30.300 -0.361 0.000 1.022 415 R HN 0.697 nan 8.270 nan 0.000 0.461 416 M N 2.699 121.990 119.600 -0.516 0.000 2.622 416 M HA 0.320 4.800 4.480 -0.000 0.000 0.276 416 M C -2.041 174.151 176.300 -0.180 0.000 1.265 416 M CA -0.677 54.385 55.300 -0.397 0.000 0.850 416 M CB 2.374 34.651 32.600 -0.540 0.000 1.720 416 M HN 0.563 nan 8.290 nan 0.000 0.465 417 Q N 1.467 121.225 119.800 -0.070 0.000 2.274 417 Q HA 0.840 5.180 4.340 -0.000 0.000 0.260 417 Q C -0.489 175.490 176.000 -0.035 0.000 0.974 417 Q CA -0.240 55.538 55.803 -0.042 0.000 0.876 417 Q CB 2.020 30.752 28.738 -0.010 0.000 1.297 417 Q HN 0.792 nan 8.270 nan 0.000 0.446 418 A N 0.996 123.822 122.820 0.009 0.000 2.259 418 A HA 0.317 4.637 4.320 -0.000 0.000 0.278 418 A C 1.227 178.753 177.584 -0.097 0.000 1.107 418 A CA 0.022 52.049 52.037 -0.018 0.000 0.828 418 A CB 0.539 19.643 19.000 0.174 0.000 1.111 418 A HN 0.783 nan 8.150 nan 0.000 0.498 419 S N -0.703 114.871 115.700 -0.210 0.000 2.392 419 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 419 S C 1.236 175.680 174.600 -0.260 0.000 1.041 419 S CA 1.822 59.849 58.200 -0.289 0.000 1.026 419 S CB -0.588 62.341 63.200 -0.453 0.000 0.845 419 S HN 0.701 nan 8.310 nan 0.000 0.465 420 H N -0.372 118.691 119.070 -0.012 0.000 2.538 420 H HA 0.321 4.877 4.556 -0.000 0.000 0.286 420 H C 1.719 177.030 175.328 -0.028 0.000 1.035 420 H CA 0.495 56.533 56.048 -0.017 0.000 1.169 420 H CB -0.327 29.425 29.762 -0.018 0.000 1.417 420 H HN 0.551 nan 8.280 nan 0.000 0.567 421 G N 1.154 109.978 108.800 0.040 0.000 2.225 421 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 421 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 421 G C 0.431 175.299 174.900 -0.054 0.000 0.988 421 G CA 0.433 45.533 45.100 0.001 0.000 0.625 421 G HN 0.461 nan 8.290 nan 0.000 0.527 422 E N 1.532 121.688 120.200 -0.074 0.000 2.414 422 E HA 0.495 4.845 4.350 -0.000 0.000 0.263 422 E C 0.361 176.745 176.600 -0.358 0.000 1.000 422 E CA 0.584 56.837 56.400 -0.246 0.000 0.914 422 E CB 0.336 29.855 29.700 -0.302 0.000 0.948 422 E HN 0.152 nan 8.360 nan 0.000 0.444 423 T N 4.862 119.155 114.554 -0.434 0.000 2.799 423 T HA 0.470 4.820 4.350 -0.000 0.000 0.286 423 T C -0.913 173.461 174.700 -0.544 0.000 0.973 423 T CA -0.155 61.724 62.100 -0.367 0.000 1.035 423 T CB 0.033 68.764 68.868 -0.228 0.000 0.932 423 T HN 0.282 nan 8.240 nan 0.000 0.469 424 F N 1.237 121.066 119.950 -0.202 0.000 2.565 424 F HA 0.407 4.934 4.527 -0.000 0.000 0.313 424 F C 0.174 175.829 175.800 -0.241 0.000 1.091 424 F CA -1.051 56.855 58.000 -0.158 0.000 0.915 424 F CB 1.639 40.529 39.000 -0.184 0.000 1.208 424 F HN 0.541 nan 8.300 nan 0.000 0.453 425 H N 1.157 120.301 119.070 0.125 0.000 2.488 425 H HA 0.673 5.229 4.556 -0.000 0.000 0.322 425 H C -0.894 174.440 175.328 0.011 0.000 1.078 425 H CA -0.592 55.488 56.048 0.053 0.000 1.260 425 H CB 1.448 31.266 29.762 0.093 0.000 1.425 425 H HN 0.286 nan 8.280 nan 0.000 0.471 426 V N 5.016 124.968 119.914 0.062 0.000 2.448 426 V HA 0.230 4.350 4.120 -0.000 0.000 0.295 426 V C -0.717 175.267 176.094 -0.184 0.000 1.025 426 V CA -0.877 61.384 62.300 -0.065 0.000 0.859 426 V CB 1.358 33.191 31.823 0.016 0.000 0.988 426 V HN 0.430 nan 8.190 nan 0.000 0.431 427 L N 4.908 125.934 121.223 -0.328 0.000 2.334 427 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 427 L C -0.730 175.790 176.870 -0.582 0.000 1.036 427 L CA -0.739 53.897 54.840 -0.341 0.000 0.807 427 L CB 0.737 42.670 42.059 -0.210 0.000 1.231 427 L HN 0.499 nan 8.230 nan 0.000 0.438 428 Y N 3.149 123.319 120.300 -0.217 0.000 2.326 428 Y HA 0.676 5.226 4.550 -0.000 0.000 0.331 428 Y C -0.455 175.309 175.900 -0.227 0.000 0.962 428 Y CA -0.516 57.459 58.100 -0.208 0.000 1.167 428 Y CB 1.459 39.787 38.460 -0.220 0.000 1.148 428 Y HN 0.329 nan 8.280 nan 0.000 0.463 429 L N 3.078 124.208 121.223 -0.154 0.000 2.362 429 L HA 0.721 5.061 4.340 -0.000 0.000 0.271 429 L C -0.079 176.712 176.870 -0.131 0.000 1.002 429 L CA -0.913 53.787 54.840 -0.233 0.000 0.818 429 L CB 2.467 44.128 42.059 -0.663 0.000 1.298 429 L HN 0.612 nan 8.230 nan 0.000 0.420 430 T N -2.178 112.347 114.554 -0.048 0.000 2.859 430 T HA 0.649 4.999 4.350 -0.000 0.000 0.281 430 T C 0.036 174.767 174.700 0.050 0.000 1.005 430 T CA -0.650 61.435 62.100 -0.024 0.000 1.025 430 T CB 1.592 70.451 68.868 -0.015 0.000 0.977 430 T HN 0.680 nan 8.240 nan 0.000 0.458 431 T N -0.855 113.688 114.554 -0.020 0.000 2.936 431 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 431 T C 0.700 175.393 174.700 -0.012 0.000 1.003 431 T CA -0.514 61.573 62.100 -0.022 0.000 1.005 431 T CB 1.137 69.951 68.868 -0.091 0.000 1.097 431 T HN 0.682 nan 8.240 nan 0.000 0.532 432 D N -0.516 119.884 120.400 0.000 0.000 2.363 432 D HA -0.026 4.614 4.640 -0.000 0.000 0.226 432 D C 1.146 177.491 176.300 0.075 0.000 1.020 432 D CA -0.057 53.959 54.000 0.026 0.000 0.892 432 D CB -0.022 40.836 40.800 0.098 0.000 0.900 432 D HN 0.308 nan 8.370 nan 0.000 0.531 433 R N -0.089 120.459 120.500 0.080 0.000 2.427 433 R HA 0.273 4.612 4.340 -0.000 0.000 0.262 433 R C 1.196 177.547 176.300 0.086 0.000 0.943 433 R CA 0.368 56.526 56.100 0.098 0.000 1.081 433 R CB -0.077 30.300 30.300 0.129 0.000 1.166 433 R HN 0.318 nan 8.270 nan 0.000 0.534 434 G N 1.650 110.490 108.800 0.066 0.000 2.147 434 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 434 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 434 G C 0.299 175.190 174.900 -0.015 0.000 1.005 434 G CA 0.889 46.034 45.100 0.075 0.000 0.713 434 G HN 0.457 nan 8.290 nan 0.000 0.515 435 T N -2.143 112.387 114.554 -0.039 0.000 2.927 435 T HA 0.826 5.176 4.350 -0.000 0.000 0.286 435 T C -0.082 174.549 174.700 -0.114 0.000 1.040 435 T CA -0.972 61.077 62.100 -0.085 0.000 1.010 435 T CB 2.646 71.501 68.868 -0.021 0.000 1.177 435 T HN 0.589 nan 8.240 nan 0.000 0.546 436 I N 0.533 121.042 120.570 -0.100 0.000 2.545 436 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 436 I C -0.388 175.759 176.117 0.050 0.000 1.040 436 I CA -0.944 60.308 61.300 -0.080 0.000 1.068 436 I CB 2.048 39.970 38.000 -0.130 0.000 1.251 436 I HN 0.696 nan 8.210 nan 0.000 0.424 437 H N 4.458 123.431 119.070 -0.162 0.000 2.469 437 H HA 0.376 4.932 4.556 -0.000 0.000 0.342 437 H C -0.833 174.331 175.328 -0.273 0.000 1.115 437 H CA -1.041 54.874 56.048 -0.222 0.000 1.204 437 H CB 2.555 32.205 29.762 -0.187 0.000 1.492 437 H HN 0.351 nan 8.280 nan 0.000 0.499 438 K N 3.365 123.646 120.400 -0.198 0.000 2.316 438 K HA 0.367 4.687 4.320 -0.000 0.000 0.267 438 K C -1.566 174.842 176.600 -0.321 0.000 1.025 438 K CA -0.493 55.573 56.287 -0.368 0.000 0.896 438 K CB 0.708 33.049 32.500 -0.265 0.000 1.124 438 K HN 0.275 nan 8.250 nan 0.000 0.451 439 V N 4.637 124.325 119.914 -0.375 0.000 2.540 439 V HA 0.306 4.426 4.120 -0.000 0.000 0.302 439 V C -0.410 175.531 176.094 -0.255 0.000 1.035 439 V CA -1.056 61.050 62.300 -0.324 0.000 0.873 439 V CB 1.842 33.386 31.823 -0.465 0.000 0.992 439 V HN 0.477 nan 8.190 nan 0.000 0.428 440 V N 3.851 123.672 119.914 -0.155 0.000 2.461 440 V HA 0.242 4.362 4.120 -0.000 0.000 0.275 440 V C 0.492 176.562 176.094 -0.040 0.000 1.047 440 V CA -0.363 61.886 62.300 -0.085 0.000 0.955 440 V CB 1.231 33.000 31.823 -0.090 0.000 0.988 440 V HN 1.004 nan 8.190 nan 0.000 0.471 441 E N 7.977 128.195 120.200 0.030 0.000 2.392 441 E HA 0.170 4.520 4.350 -0.000 0.000 0.264 441 E C -2.175 174.487 176.600 0.103 0.000 1.024 441 E CA -1.271 55.175 56.400 0.077 0.000 0.903 441 E CB 0.873 30.661 29.700 0.147 0.000 0.963 441 E HN 0.500 nan 8.360 nan 0.000 0.432 442 P HA 0.124 nan 4.420 nan 0.000 0.274 442 P C -0.412 176.918 177.300 0.050 0.000 1.237 442 P CA -0.226 62.918 63.100 0.072 0.000 0.793 442 P CB 1.677 33.417 31.700 0.066 0.000 0.977 443 G N 1.290 110.105 108.800 0.026 0.000 2.463 443 G HA2 0.050 4.010 3.960 -0.000 0.000 0.211 443 G HA3 0.050 4.010 3.960 -0.000 0.000 0.211 443 G C 0.784 175.666 174.900 -0.030 0.000 1.881 443 G CA 0.094 45.196 45.100 0.003 0.000 0.722 443 G HN 0.397 nan 8.290 nan 0.000 0.709 444 E N 0.241 120.420 120.200 -0.035 0.000 1.905 444 E HA 0.089 4.439 4.350 -0.000 0.000 0.218 444 E C 1.418 177.981 176.600 -0.061 0.000 0.928 444 E CA 1.169 57.545 56.400 -0.040 0.000 0.928 444 E CB -0.129 29.558 29.700 -0.022 0.000 0.815 444 E HN 0.458 nan 8.360 nan 0.000 0.590 445 Q N -1.816 117.934 119.800 -0.084 0.000 3.224 445 Q HA 0.082 4.422 4.340 -0.000 0.000 0.357 445 Q C 1.055 176.895 176.000 -0.267 0.000 0.848 445 Q CA -0.110 55.611 55.803 -0.137 0.000 0.841 445 Q CB 0.548 29.221 28.738 -0.108 0.000 1.776 445 Q HN 0.364 nan 8.270 nan 0.000 0.406 446 E N 0.296 120.301 120.200 -0.324 0.000 2.253 446 E HA -0.294 4.056 4.350 -0.000 0.000 0.202 446 E C 0.959 177.161 176.600 -0.663 0.000 1.014 446 E CA 1.714 57.836 56.400 -0.463 0.000 0.823 446 E CB -0.159 29.320 29.700 -0.369 0.000 0.736 446 E HN 0.520 nan 8.360 nan 0.000 0.478 447 H N 0.937 119.827 119.070 -0.300 0.000 2.529 447 H HA 0.076 4.632 4.556 -0.000 0.000 0.277 447 H C 0.870 176.000 175.328 -0.331 0.000 0.999 447 H CA 1.087 57.001 56.048 -0.223 0.000 1.256 447 H CB 0.165 29.874 29.762 -0.089 0.000 1.402 447 H HN 0.219 nan 8.280 nan 0.000 0.566 448 S N 0.366 115.854 115.700 -0.353 0.000 2.489 448 S HA 0.548 5.018 4.470 -0.000 0.000 0.291 448 S C -0.648 173.654 174.600 -0.497 0.000 1.151 448 S CA -0.667 57.374 58.200 -0.264 0.000 1.082 448 S CB 1.330 64.468 63.200 -0.105 0.000 1.019 448 S HN -0.021 nan 8.310 nan 0.000 0.492 449 F N 0.202 120.213 119.950 0.102 0.000 2.650 449 F HA 0.735 5.262 4.527 -0.000 0.000 0.320 449 F C 0.467 176.303 175.800 0.061 0.000 1.091 449 F CA -1.143 56.906 58.000 0.081 0.000 0.962 449 F CB 1.423 40.484 39.000 0.100 0.000 1.363 449 F HN 0.867 nan 8.300 nan 0.000 0.482 450 A N 1.049 123.998 122.820 0.215 0.000 2.498 450 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 450 A C -1.296 176.281 177.584 -0.011 0.000 1.068 450 A CA 0.241 52.251 52.037 -0.044 0.000 0.766 450 A CB -0.283 18.465 19.000 -0.421 0.000 1.003 450 A HN 0.571 nan 8.150 nan 0.000 0.497 451 F N 2.780 122.615 119.950 -0.192 0.000 2.496 451 F HA 0.317 4.844 4.527 -0.000 0.000 0.341 451 F C 0.074 175.759 175.800 -0.192 0.000 1.134 451 F CA -0.771 57.150 58.000 -0.130 0.000 0.968 451 F CB 1.307 40.255 39.000 -0.088 0.000 1.205 451 F HN 0.602 nan 8.300 nan 0.000 0.436 452 N N 7.043 125.486 118.700 -0.428 0.000 2.482 452 N HA 0.108 4.847 4.740 -0.000 0.000 0.242 452 N C 1.135 176.460 175.510 -0.308 0.000 1.100 452 N CA -0.042 52.808 53.050 -0.333 0.000 0.946 452 N CB 0.415 38.727 38.487 -0.292 0.000 1.227 452 N HN 0.798 nan 8.380 nan 0.000 0.508 453 I N 0.571 121.066 120.570 -0.124 0.000 3.059 453 I HA 0.179 4.349 4.170 -0.000 0.000 0.270 453 I C 0.722 176.790 176.117 -0.082 0.000 1.238 453 I CA 0.472 61.761 61.300 -0.019 0.000 1.478 453 I CB 0.007 38.056 38.000 0.082 0.000 1.097 453 I HN 0.386 nan 8.210 nan 0.000 0.455 454 M N 0.991 120.473 119.600 -0.196 0.000 2.822 454 M HA 0.333 4.813 4.480 -0.000 0.000 0.275 454 M C -2.197 173.880 176.300 -0.372 0.000 1.084 454 M CA -0.498 54.663 55.300 -0.232 0.000 0.814 454 M CB 2.467 35.024 32.600 -0.072 0.000 1.693 454 M HN 0.169 nan 8.290 nan 0.000 0.531 455 E N 2.666 122.595 120.200 -0.452 0.000 2.238 455 E HA 0.743 5.093 4.350 -0.000 0.000 0.267 455 E C -2.124 174.313 176.600 -0.271 0.000 0.887 455 E CA -0.752 55.401 56.400 -0.411 0.000 0.769 455 E CB 2.544 31.828 29.700 -0.693 0.000 1.187 455 E HN 0.631 nan 8.360 nan 0.000 0.416 456 I N 2.296 122.756 120.570 -0.183 0.000 2.686 456 I HA 0.219 4.389 4.170 -0.000 0.000 0.295 456 I C -1.763 174.263 176.117 -0.152 0.000 1.114 456 I CA -0.393 60.799 61.300 -0.180 0.000 1.038 456 I CB 2.072 39.903 38.000 -0.282 0.000 1.238 456 I HN 0.443 nan 8.210 nan 0.000 0.420 457 Q N 8.562 128.307 119.800 -0.093 0.000 2.466 457 Q HA 0.463 4.803 4.340 -0.000 0.000 0.242 457 Q C -2.245 173.696 176.000 -0.099 0.000 1.046 457 Q CA -2.090 53.661 55.803 -0.087 0.000 0.841 457 Q CB 1.513 30.266 28.738 0.025 0.000 1.193 457 Q HN 0.545 nan 8.270 nan 0.000 0.508 458 P HA 0.017 nan 4.420 nan 0.000 0.237 458 P C -0.312 176.966 177.300 -0.037 0.000 1.178 458 P CA 0.371 63.331 63.100 -0.233 0.000 0.766 458 P CB 0.182 31.571 31.700 -0.518 0.000 0.876 459 F N -0.326 119.710 119.950 0.142 0.000 2.483 459 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 459 F C 2.165 178.027 175.800 0.103 0.000 1.064 459 F CA -1.556 56.515 58.000 0.119 0.000 0.986 459 F CB 0.504 39.570 39.000 0.111 0.000 1.218 459 F HN -0.346 nan 8.300 nan 0.000 0.484 460 R N 0.393 121.072 120.500 0.299 0.000 2.075 460 R HA 0.072 4.412 4.340 -0.000 0.000 0.232 460 R C 0.118 176.522 176.300 0.174 0.000 1.126 460 R CA 1.209 57.401 56.100 0.153 0.000 0.963 460 R CB 0.179 30.523 30.300 0.074 0.000 0.858 460 R HN 0.575 nan 8.270 nan 0.000 0.435 461 R N 0.543 121.186 120.500 0.239 0.000 2.310 461 R HA 0.338 4.678 4.340 -0.000 0.000 0.324 461 R C -1.047 175.492 176.300 0.398 0.000 0.955 461 R CA -0.453 55.813 56.100 0.277 0.000 0.830 461 R CB 1.940 32.404 30.300 0.273 0.000 1.154 461 R HN 0.213 nan 8.270 nan 0.000 0.458 462 A N 2.511 125.536 122.820 0.340 0.000 2.546 462 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 462 A C -0.094 177.686 177.584 0.327 0.000 1.063 462 A CA 0.522 52.765 52.037 0.344 0.000 0.757 462 A CB 0.241 19.380 19.000 0.231 0.000 0.991 462 A HN 0.835 nan 8.150 nan 0.000 0.503 463 A N 1.300 124.331 122.820 0.351 0.000 2.540 463 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 463 A C -0.085 177.620 177.584 0.203 0.000 1.083 463 A CA -0.148 51.969 52.037 0.132 0.000 0.650 463 A CB -0.052 18.862 19.000 -0.143 0.000 1.292 463 A HN 2.479 nan 8.150 nan 0.000 0.435 464 A N 0.135 122.988 122.820 0.056 0.000 2.462 464 A HA 0.557 4.877 4.320 -0.000 0.000 0.243 464 A C -0.043 177.640 177.584 0.164 0.000 1.076 464 A CA -0.006 52.084 52.037 0.088 0.000 0.773 464 A CB -0.435 18.570 19.000 0.009 0.000 1.010 464 A HN 0.733 nan 8.150 nan 0.000 0.493 465 I N 2.636 123.324 120.570 0.196 0.000 2.363 465 I HA 0.026 4.196 4.170 -0.000 0.000 0.292 465 I C 1.181 177.373 176.117 0.126 0.000 1.075 465 I CA 0.144 61.585 61.300 0.234 0.000 1.333 465 I CB 0.894 38.982 38.000 0.147 0.000 1.415 465 I HN 0.826 nan 8.210 nan 0.000 0.502 466 Q N 3.827 123.696 119.800 0.115 0.000 2.354 466 Q HA 0.049 4.389 4.340 -0.000 0.000 0.203 466 Q C 0.440 176.503 176.000 0.105 0.000 0.933 466 Q CA 0.643 56.494 55.803 0.081 0.000 0.901 466 Q CB 0.413 29.182 28.738 0.052 0.000 1.007 466 Q HN 0.824 nan 8.270 nan 0.000 0.495 467 T N -2.109 112.520 114.554 0.126 0.000 2.868 467 T HA 0.655 5.005 4.350 -0.000 0.000 0.306 467 T C -1.001 173.766 174.700 0.112 0.000 1.224 467 T CA -0.868 61.309 62.100 0.128 0.000 1.012 467 T CB 2.286 71.246 68.868 0.153 0.000 1.221 467 T HN 0.097 nan 8.240 nan 0.000 0.499 468 M N 1.874 121.533 119.600 0.098 0.000 2.365 468 M HA 0.613 5.093 4.480 -0.000 0.000 0.287 468 M C -2.034 174.311 176.300 0.075 0.000 1.154 468 M CA -0.255 55.078 55.300 0.055 0.000 0.941 468 M CB 2.106 34.714 32.600 0.013 0.000 1.704 468 M HN 0.879 nan 8.290 nan 0.000 0.479 469 S N 4.272 120.006 115.700 0.056 0.000 2.548 469 S HA 0.673 5.143 4.470 -0.000 0.000 0.276 469 S C -1.547 173.067 174.600 0.023 0.000 1.129 469 S CA -0.788 57.470 58.200 0.096 0.000 0.931 469 S CB 2.027 65.313 63.200 0.143 0.000 1.068 469 S HN 0.784 nan 8.310 nan 0.000 0.480 470 L N 2.518 123.756 121.223 0.025 0.000 2.287 470 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 470 L C -1.018 175.859 176.870 0.013 0.000 1.022 470 L CA -0.078 54.706 54.840 -0.092 0.000 0.814 470 L CB 1.069 43.030 42.059 -0.164 0.000 1.217 470 L HN 0.641 nan 8.230 nan 0.000 0.420 471 D N 4.086 124.461 120.400 -0.041 0.000 2.454 471 D HA 0.359 4.999 4.640 -0.000 0.000 0.225 471 D C 0.616 176.864 176.300 -0.085 0.000 1.081 471 D CA 0.092 54.125 54.000 0.055 0.000 0.864 471 D CB 1.953 42.870 40.800 0.196 0.000 1.040 471 D HN 0.739 nan 8.370 nan 0.000 0.517 472 A N 3.809 126.590 122.820 -0.065 0.000 2.119 472 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 472 A C 1.822 179.352 177.584 -0.089 0.000 1.153 472 A CA 0.715 52.654 52.037 -0.164 0.000 0.692 472 A CB -0.092 18.924 19.000 0.026 0.000 0.799 472 A HN 0.638 nan 8.150 nan 0.000 0.458 473 E N -0.214 119.973 120.200 -0.022 0.000 2.033 473 E HA -0.060 4.290 4.350 -0.000 0.000 0.189 473 E C 1.927 178.497 176.600 -0.049 0.000 0.979 473 E CA 0.563 56.954 56.400 -0.015 0.000 0.802 473 E CB -0.014 29.702 29.700 0.026 0.000 0.763 473 E HN 0.520 nan 8.360 nan 0.000 0.449 474 R N 0.110 120.599 120.500 -0.019 0.000 2.299 474 R HA 0.090 4.430 4.340 -0.000 0.000 0.197 474 R C -0.048 176.188 176.300 -0.107 0.000 0.971 474 R CA 0.029 56.112 56.100 -0.028 0.000 1.030 474 R CB 0.203 30.536 30.300 0.054 0.000 0.932 474 R HN -0.029 nan 8.270 nan 0.000 0.477 475 R N 1.008 121.404 120.500 -0.172 0.000 3.336 475 R HA -0.123 4.217 4.340 -0.000 0.000 0.260 475 R C -0.984 175.142 176.300 -0.290 0.000 1.032 475 R CA 0.746 56.704 56.100 -0.237 0.000 0.693 475 R CB -1.404 28.817 30.300 -0.131 0.000 1.134 475 R HN 0.082 nan 8.270 nan 0.000 0.433 476 K N -0.097 120.097 120.400 -0.344 0.000 2.395 476 K HA 0.618 4.938 4.320 -0.000 0.000 0.247 476 K C -0.708 175.500 176.600 -0.654 0.000 0.973 476 K CA -1.199 54.776 56.287 -0.519 0.000 0.828 476 K CB 2.068 34.214 32.500 -0.590 0.000 1.272 476 K HN -0.026 nan 8.250 nan 0.000 0.439 477 L N 1.939 122.687 121.223 -0.792 0.000 2.372 477 L HA 0.381 4.721 4.340 -0.000 0.000 0.274 477 L C -1.624 174.784 176.870 -0.769 0.000 0.988 477 L CA -0.467 53.960 54.840 -0.688 0.000 0.833 477 L CB 0.753 42.427 42.059 -0.643 0.000 1.236 477 L HN 0.411 nan 8.230 nan 0.000 0.410 478 Y N 4.228 124.322 120.300 -0.343 0.000 2.326 478 Y HA 0.651 5.201 4.550 -0.000 0.000 0.337 478 Y C -0.001 175.788 175.900 -0.185 0.000 1.023 478 Y CA -0.480 57.429 58.100 -0.319 0.000 1.143 478 Y CB 1.547 39.788 38.460 -0.365 0.000 1.183 478 Y HN 0.280 nan 8.280 nan 0.000 0.485 479 V N 2.715 122.614 119.914 -0.025 0.000 2.876 479 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 479 V C -0.691 175.528 176.094 0.208 0.000 1.085 479 V CA -0.833 61.510 62.300 0.072 0.000 0.945 479 V CB 2.348 34.160 31.823 -0.019 0.000 1.017 479 V HN 0.808 nan 8.190 nan 0.000 0.428 480 S N 1.711 117.561 115.700 0.249 0.000 2.588 480 S HA 0.920 5.390 4.470 -0.000 0.000 0.275 480 S C -0.463 174.182 174.600 0.073 0.000 1.130 480 S CA 0.019 58.306 58.200 0.145 0.000 0.855 480 S CB 2.187 65.466 63.200 0.131 0.000 1.116 480 S HN 1.268 nan 8.310 nan 0.000 0.472 481 S N 0.362 115.927 115.700 -0.225 0.000 2.998 481 S HA 0.393 4.863 4.470 -0.000 0.000 0.307 481 S C 0.741 175.287 174.600 -0.090 0.000 1.063 481 S CA -0.147 57.874 58.200 -0.298 0.000 0.895 481 S CB 0.399 63.115 63.200 -0.806 0.000 1.362 481 S HN 0.974 nan 8.310 nan 0.000 0.657 482 Q N -0.886 118.768 119.800 -0.244 0.000 2.425 482 Q HA 0.154 4.494 4.340 -0.000 0.000 0.204 482 Q C 0.430 176.492 176.000 0.102 0.000 0.933 482 Q CA 0.254 55.959 55.803 -0.164 0.000 0.939 482 Q CB -0.062 28.398 28.738 -0.464 0.000 1.044 482 Q HN 0.769 nan 8.270 nan 0.000 0.513 483 W N 1.559 122.885 121.300 0.044 0.000 3.063 483 W HA 0.289 4.949 4.660 0.000 0.000 0.246 483 W C 0.931 177.221 176.519 -0.382 0.000 1.145 483 W CA 0.236 57.578 57.345 -0.006 0.000 1.510 483 W CB 0.452 29.860 29.460 -0.087 0.000 0.904 483 W HN 0.293 nan 8.180 nan 0.000 0.679 484 E N -0.532 119.420 120.200 -0.414 0.000 2.433 484 E HA 0.588 4.938 4.350 -0.000 0.000 0.264 484 E C -1.394 174.789 176.600 -0.694 0.000 0.960 484 E CA -0.683 55.306 56.400 -0.684 0.000 0.866 484 E CB 2.535 32.060 29.700 -0.290 0.000 1.615 484 E HN -0.300 nan 8.360 nan 0.000 0.442 485 V N 0.636 120.248 119.914 -0.503 0.000 2.668 485 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 485 V C -1.077 174.973 176.094 -0.073 0.000 1.071 485 V CA -0.615 61.476 62.300 -0.348 0.000 0.894 485 V CB 1.775 33.120 31.823 -0.797 0.000 1.008 485 V HN 0.690 nan 8.190 nan 0.000 0.425 486 S N 3.715 119.443 115.700 0.046 0.000 2.521 486 S HA 0.539 5.009 4.470 -0.000 0.000 0.295 486 S C -0.847 173.636 174.600 -0.194 0.000 1.098 486 S CA -0.526 57.712 58.200 0.064 0.000 0.999 486 S CB 1.768 65.132 63.200 0.273 0.000 1.034 486 S HN 0.812 nan 8.310 nan 0.000 0.483 487 Q N 4.311 123.918 119.800 -0.323 0.000 2.400 487 Q HA 0.509 4.849 4.340 -0.000 0.000 0.255 487 Q C -1.494 174.316 176.000 -0.316 0.000 1.008 487 Q CA -0.610 54.812 55.803 -0.635 0.000 0.841 487 Q CB 0.834 29.056 28.738 -0.861 0.000 1.220 487 Q HN 0.572 nan 8.270 nan 0.000 0.474 488 V N 6.474 126.088 119.914 -0.500 0.000 2.370 488 V HA 0.393 4.513 4.120 -0.000 0.000 0.279 488 V C -2.176 173.594 176.094 -0.540 0.000 1.029 488 V CA -2.004 59.952 62.300 -0.574 0.000 0.870 488 V CB 1.048 32.442 31.823 -0.715 0.000 0.984 488 V HN 0.787 nan 8.190 nan 0.000 0.451 489 P HA 0.193 nan 4.420 nan 0.000 0.271 489 P C 0.356 177.403 177.300 -0.423 0.000 1.218 489 P CA -0.294 62.608 63.100 -0.330 0.000 0.780 489 P CB 0.827 32.428 31.700 -0.165 0.000 0.901 490 L N 1.622 122.587 121.223 -0.430 0.000 2.270 490 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 490 L C 0.923 177.361 176.870 -0.720 0.000 1.104 490 L CA 1.567 56.056 54.840 -0.585 0.000 0.804 490 L CB -0.960 40.737 42.059 -0.604 0.000 0.937 490 L HN 0.378 nan 8.230 nan 0.000 0.450 491 D N -0.605 119.558 120.400 -0.396 0.000 3.179 491 D HA 0.116 4.756 4.640 -0.000 0.000 0.267 491 D C 0.081 176.314 176.300 -0.113 0.000 1.348 491 D CA -0.318 53.565 54.000 -0.195 0.000 0.897 491 D CB -0.257 40.582 40.800 0.066 0.000 1.062 491 D HN -0.054 nan 8.370 nan 0.000 0.494 492 L N 0.333 121.443 121.223 -0.190 0.000 2.283 492 L HA 0.268 4.608 4.340 -0.000 0.000 0.287 492 L C -0.026 176.762 176.870 -0.136 0.000 1.073 492 L CA -0.152 54.582 54.840 -0.176 0.000 0.822 492 L CB 0.975 42.828 42.059 -0.343 0.000 1.186 492 L HN 0.302 nan 8.230 nan 0.000 0.436 493 c N 2.554 121.113 118.600 -0.069 0.000 3.785 493 c HA 0.159 4.729 4.570 -0.000 0.000 0.312 493 c C 1.609 175.670 174.090 -0.050 0.000 1.566 493 c CA -0.035 56.281 56.329 -0.021 0.000 1.837 493 c CB -0.422 42.191 42.510 0.172 0.000 2.826 493 c HN 0.938 nan 8.230 nan 0.000 0.667 494 E N 1.110 121.271 120.200 -0.065 0.000 2.409 494 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 494 E C 1.626 178.179 176.600 -0.078 0.000 1.024 494 E CA 0.827 57.211 56.400 -0.028 0.000 0.861 494 E CB -0.100 29.595 29.700 -0.008 0.000 0.788 494 E HN 0.437 nan 8.360 nan 0.000 0.521 495 V N 0.583 120.348 119.914 -0.248 0.000 2.626 495 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 495 V C 0.285 176.186 176.094 -0.322 0.000 1.067 495 V CA 1.070 63.164 62.300 -0.343 0.000 1.081 495 V CB -0.639 30.845 31.823 -0.565 0.000 0.686 495 V HN 0.268 nan 8.190 nan 0.000 0.468 496 Y N 1.073 121.399 120.300 0.044 0.000 2.535 496 Y HA 0.611 5.161 4.550 -0.000 0.000 0.349 496 Y C 0.936 176.894 175.900 0.096 0.000 0.992 496 Y CA -0.503 57.632 58.100 0.058 0.000 1.248 496 Y CB -0.002 38.488 38.460 0.049 0.000 1.124 496 Y HN 0.071 nan 8.280 nan 0.000 0.520 497 G N 0.959 109.879 108.800 0.200 0.000 2.630 497 G HA2 0.448 4.408 3.960 -0.000 0.000 0.223 497 G HA3 0.448 4.408 3.960 -0.000 0.000 0.223 497 G C 0.803 175.814 174.900 0.186 0.000 1.434 497 G CA -0.510 44.699 45.100 0.181 0.000 1.057 497 G HN 1.123 nan 8.290 nan 0.000 0.570 498 G N -2.165 106.724 108.800 0.148 0.000 2.132 498 G HA2 0.293 4.252 3.960 -0.000 0.000 0.234 498 G HA3 0.293 4.252 3.960 -0.000 0.000 0.234 498 G C 1.403 176.349 174.900 0.076 0.000 0.989 498 G CA 0.682 45.852 45.100 0.117 0.000 0.676 498 G HN 2.556 nan 8.290 nan 0.000 0.522 499 G N -1.568 107.281 108.800 0.081 0.000 2.569 499 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.259 499 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.259 499 G C 1.624 176.182 174.900 -0.569 0.000 1.263 499 G CA 1.320 46.340 45.100 -0.133 0.000 0.928 499 G HN 1.758 nan 8.290 nan 0.000 0.572 500 c N -0.648 117.235 118.600 -1.194 0.000 2.446 500 c HA 0.037 4.607 4.570 -0.000 0.000 0.277 500 c C 2.513 176.269 174.090 -0.558 0.000 1.275 500 c CA 2.046 57.554 56.329 -1.369 0.000 1.727 500 c CB -1.822 39.789 42.510 -1.499 0.000 2.010 500 c HN 0.640 nan 8.230 nan 0.000 0.486 501 H N -0.163 118.723 119.070 -0.307 0.000 2.321 501 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 501 H C 2.510 177.738 175.328 -0.167 0.000 1.087 501 H CA 1.908 57.856 56.048 -0.167 0.000 1.319 501 H CB -0.916 28.816 29.762 -0.049 0.000 1.379 501 H HN 0.618 nan 8.280 nan 0.000 0.501 502 G N -0.013 108.803 108.800 0.025 0.000 2.432 502 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 502 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 502 G C 2.089 176.994 174.900 0.008 0.000 1.135 502 G CA 0.819 45.937 45.100 0.029 0.000 0.767 502 G HN 0.471 nan 8.290 nan 0.000 0.550 503 c N 0.179 118.798 118.600 0.033 0.000 2.462 503 c HA 0.138 4.708 4.570 -0.000 0.000 0.278 503 c C 2.837 176.878 174.090 -0.082 0.000 1.253 503 c CA 0.810 57.184 56.329 0.076 0.000 1.713 503 c CB -0.962 41.720 42.510 0.288 0.000 2.049 503 c HN 0.393 nan 8.230 nan 0.000 0.477 504 L N 0.163 121.323 121.223 -0.105 0.000 2.313 504 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 504 L C 2.469 179.215 176.870 -0.207 0.000 1.119 504 L CA 0.713 55.463 54.840 -0.150 0.000 0.809 504 L CB -0.639 41.342 42.059 -0.131 0.000 0.933 504 L HN 0.358 nan 8.230 nan 0.000 0.449 505 M N -0.234 119.238 119.600 -0.213 0.000 2.562 505 M HA -0.055 4.425 4.480 -0.000 0.000 0.257 505 M C 2.481 178.639 176.300 -0.236 0.000 1.099 505 M CA 1.036 56.188 55.300 -0.245 0.000 1.099 505 M CB -0.711 31.716 32.600 -0.288 0.000 1.427 505 M HN 0.325 nan 8.290 nan 0.000 0.489 506 S N -0.052 115.458 115.700 -0.318 0.000 2.453 506 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 506 S C 1.191 175.548 174.600 -0.406 0.000 1.005 506 S CA 0.499 58.419 58.200 -0.467 0.000 0.949 506 S CB -0.150 62.354 63.200 -1.160 0.000 0.774 506 S HN 0.450 nan 8.310 nan 0.000 0.510 507 R N 0.724 120.974 120.500 -0.417 0.000 3.953 507 R HA -0.126 4.214 4.340 -0.000 0.000 0.340 507 R C -0.704 175.336 176.300 -0.432 0.000 1.195 507 R CA 1.084 56.893 56.100 -0.484 0.000 0.929 507 R CB -2.500 27.317 30.300 -0.806 0.000 1.402 507 R HN 0.612 nan 8.270 nan 0.000 0.540 508 D N 0.412 120.578 120.400 -0.391 0.000 2.338 508 D HA 0.077 4.717 4.640 -0.000 0.000 0.255 508 D C -1.009 175.140 176.300 -0.252 0.000 1.237 508 D CA -1.939 51.910 54.000 -0.251 0.000 0.883 508 D CB 0.954 41.654 40.800 -0.168 0.000 1.087 508 D HN 0.054 nan 8.370 nan 0.000 0.485 509 P HA -0.156 nan 4.420 nan 0.000 0.228 509 P C 0.698 177.778 177.300 -0.365 0.000 1.151 509 P CA 0.787 63.592 63.100 -0.493 0.000 0.770 509 P CB -0.025 31.173 31.700 -0.836 0.000 0.786 510 Y N -0.863 119.330 120.300 -0.178 0.000 2.546 510 Y HA 0.065 4.615 4.550 -0.000 0.000 0.287 510 Y C 1.612 177.399 175.900 -0.189 0.000 1.158 510 Y CA -0.087 57.904 58.100 -0.182 0.000 1.307 510 Y CB -0.080 38.336 38.460 -0.073 0.000 1.036 510 Y HN 0.039 nan 8.280 nan 0.000 0.532 511 c N -1.639 116.950 118.600 -0.018 0.000 3.285 511 c HA 0.945 5.515 4.570 -0.000 0.000 0.320 511 c C 0.641 174.702 174.090 -0.049 0.000 1.411 511 c CA -0.761 55.555 56.329 -0.021 0.000 1.429 511 c CB 1.417 43.971 42.510 0.072 0.000 1.812 511 c HN 0.381 nan 8.230 nan 0.000 0.454 512 G N -0.831 107.964 108.800 -0.007 0.000 2.608 512 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 512 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 512 G C -2.102 172.865 174.900 0.112 0.000 1.425 512 G CA -0.302 44.816 45.100 0.030 0.000 0.787 512 G HN 0.815 nan 8.290 nan 0.000 0.484 513 W N 1.103 122.376 121.300 -0.045 0.000 2.351 513 W HA 0.625 5.285 4.660 -0.000 0.000 0.311 513 W C -1.371 175.137 176.519 -0.019 0.000 1.168 513 W CA 0.268 57.597 57.345 -0.026 0.000 1.200 513 W CB 1.661 31.100 29.460 -0.036 0.000 1.221 513 W HN 0.631 nan 8.180 nan 0.000 0.519 514 D N 2.491 122.533 120.400 -0.597 0.000 2.706 514 D HA 0.046 4.686 4.640 -0.000 0.000 0.227 514 D C -0.647 175.362 176.300 -0.485 0.000 1.233 514 D CA -0.128 53.647 54.000 -0.375 0.000 0.768 514 D CB 1.110 41.808 40.800 -0.170 0.000 1.490 514 D HN 0.467 nan 8.370 nan 0.000 0.458 515 Q N 1.654 121.289 119.800 -0.274 0.000 2.453 515 Q HA -0.207 4.133 4.340 -0.000 0.000 0.294 515 Q C 0.686 176.511 176.000 -0.292 0.000 1.295 515 Q CA 1.034 56.714 55.803 -0.205 0.000 0.853 515 Q CB -1.763 26.879 28.738 -0.160 0.000 1.193 515 Q HN 1.171 nan 8.270 nan 0.000 0.461 516 G N 0.234 108.809 108.800 -0.375 0.000 2.249 516 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.273 516 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.273 516 G C 0.090 174.501 174.900 -0.816 0.000 1.036 516 G CA 0.945 45.877 45.100 -0.281 0.000 0.824 516 G HN 0.666 nan 8.290 nan 0.000 0.504 517 R N -2.658 116.864 120.500 -1.630 0.000 2.712 517 R HA 0.613 4.953 4.340 -0.000 0.000 0.272 517 R C -0.916 174.779 176.300 -1.008 0.000 1.032 517 R CA -0.684 54.688 56.100 -1.212 0.000 0.874 517 R CB 0.428 30.461 30.300 -0.445 0.000 1.256 517 R HN 0.477 nan 8.270 nan 0.000 0.468 518 c N 2.324 120.747 118.600 -0.295 0.000 2.281 518 c HA 0.685 5.255 4.570 -0.000 0.000 0.336 518 c C -0.113 173.970 174.090 -0.011 0.000 1.217 518 c CA -0.170 56.184 56.329 0.040 0.000 1.730 518 c CB -1.001 41.683 42.510 0.290 0.000 2.338 518 c HN 0.620 nan 8.230 nan 0.000 0.521 519 I N 4.103 124.649 120.570 -0.039 0.000 3.145 519 I HA 0.495 4.665 4.170 -0.000 0.000 0.313 519 I C 0.150 176.264 176.117 -0.005 0.000 1.122 519 I CA 0.072 61.356 61.300 -0.027 0.000 0.987 519 I CB 2.223 40.180 38.000 -0.071 0.000 1.236 519 I HN 0.555 nan 8.210 nan 0.000 0.453 520 S N 3.946 119.650 115.700 0.008 0.000 2.533 520 S HA 0.182 4.652 4.470 -0.000 0.000 0.282 520 S C 1.526 176.096 174.600 -0.051 0.000 1.304 520 S CA -0.045 58.156 58.200 0.001 0.000 1.063 520 S CB 0.023 63.258 63.200 0.058 0.000 0.881 520 S HN 0.524 nan 8.310 nan 0.000 0.493 521 I N 2.364 122.834 120.570 -0.166 0.000 2.916 521 I HA 0.002 4.172 4.170 -0.000 0.000 0.267 521 I C 0.290 176.327 176.117 -0.134 0.000 1.263 521 I CA 1.013 62.188 61.300 -0.208 0.000 1.471 521 I CB -0.451 37.353 38.000 -0.326 0.000 1.089 521 I HN 0.606 nan 8.210 nan 0.000 0.468 522 Y N 1.631 121.965 120.300 0.056 0.000 2.493 522 Y HA 0.198 4.748 4.550 -0.000 0.000 0.275 522 Y C 2.584 178.505 175.900 0.034 0.000 1.183 522 Y CA -0.274 57.857 58.100 0.051 0.000 1.258 522 Y CB -0.781 37.722 38.460 0.073 0.000 1.108 522 Y HN 0.347 nan 8.280 nan 0.000 0.521 523 S N -1.126 114.652 115.700 0.130 0.000 2.380 523 S HA -0.175 4.295 4.470 -0.000 0.000 0.217 523 S C 1.838 176.477 174.600 0.065 0.000 1.036 523 S CA 1.799 60.047 58.200 0.081 0.000 1.050 523 S CB -0.541 62.679 63.200 0.032 0.000 1.016 523 S HN 0.334 nan 8.310 nan 0.000 0.419 524 S N -0.064 115.662 115.700 0.044 0.000 5.776 524 S HA 0.155 4.625 4.470 -0.000 0.000 0.126 524 S C -0.665 173.951 174.600 0.026 0.000 1.108 524 S CA -0.064 58.157 58.200 0.035 0.000 1.418 524 S CB -0.874 62.337 63.200 0.020 0.000 2.040 524 S HN 0.585 nan 8.310 nan 0.000 0.591 525 E N 2.701 122.907 120.200 0.011 0.000 2.491 525 E HA 0.016 4.366 4.350 -0.000 0.000 0.250 525 E C 0.093 176.698 176.600 0.009 0.000 1.061 525 E CA -0.161 56.242 56.400 0.006 0.000 0.942 525 E CB 0.388 30.083 29.700 -0.007 0.000 0.957 525 E HN 0.209 nan 8.360 nan 0.000 0.480 526 R N 2.431 122.941 120.500 0.017 0.000 2.808 526 R HA -0.032 4.308 4.340 -0.000 0.000 0.215 526 R C -0.236 176.068 176.300 0.007 0.000 1.569 526 R CA 0.302 56.413 56.100 0.019 0.000 1.396 526 R CB -1.178 29.138 30.300 0.027 0.000 1.048 526 R HN 0.393 nan 8.270 nan 0.000 0.501 527 S N -1.825 113.873 115.700 -0.004 0.000 2.584 527 S HA 0.454 4.924 4.470 -0.000 0.000 0.280 527 S C -0.459 174.131 174.600 -0.017 0.000 1.162 527 S CA -0.960 57.235 58.200 -0.008 0.000 0.951 527 S CB 1.545 64.753 63.200 0.014 0.000 1.108 527 S HN 0.028 nan 8.310 nan 0.000 0.464 528 V N -0.064 119.829 119.914 -0.036 0.000 3.114 528 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 528 V C -1.129 174.964 176.094 -0.002 0.000 1.168 528 V CA -1.409 60.875 62.300 -0.026 0.000 1.015 528 V CB 1.395 33.187 31.823 -0.052 0.000 1.050 528 V HN 0.775 nan 8.190 nan 0.000 0.433 529 L N 3.018 124.274 121.223 0.056 0.000 2.342 529 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 529 L C 0.235 177.145 176.870 0.065 0.000 1.095 529 L CA 0.937 55.832 54.840 0.093 0.000 0.843 529 L CB 0.082 42.228 42.059 0.146 0.000 1.201 529 L HN 0.882 nan 8.230 nan 0.000 0.445 530 Q N 1.399 121.218 119.800 0.033 0.000 2.416 530 Q HA 0.708 5.048 4.340 -0.000 0.000 0.279 530 Q C -0.372 175.664 176.000 0.060 0.000 1.101 530 Q CA -0.707 55.084 55.803 -0.020 0.000 0.830 530 Q CB 2.148 30.785 28.738 -0.168 0.000 1.402 530 Q HN 0.678 nan 8.270 nan 0.000 0.445 531 S N 0.898 116.598 115.700 0.000 0.000 2.738 531 S HA 0.601 5.071 4.470 -0.000 0.000 0.284 531 S C -0.101 174.518 174.600 0.033 0.000 1.146 531 S CA -0.764 57.436 58.200 -0.001 0.000 0.997 531 S CB 0.563 63.717 63.200 -0.077 0.000 1.081 531 S HN 0.546 nan 8.310 nan 0.000 0.553 532 I N 2.425 122.987 120.570 -0.013 0.000 2.330 532 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 532 I C 0.686 176.782 176.117 -0.035 0.000 1.001 532 I CA -0.795 60.498 61.300 -0.012 0.000 1.193 532 I CB 0.876 38.849 38.000 -0.043 0.000 1.345 532 I HN 0.633 nan 8.210 nan 0.000 0.461 533 N N 5.343 124.041 118.700 -0.003 0.000 2.247 533 N HA -0.214 4.526 4.740 -0.000 0.000 0.187 533 N C -1.366 174.108 175.510 -0.060 0.000 0.885 533 N CA 1.647 54.687 53.050 -0.017 0.000 0.910 533 N CB -1.775 36.736 38.487 0.040 0.000 1.055 533 N HN 0.566 nan 8.380 nan 0.000 0.813 534 P HA 0.068 nan 4.420 nan 0.000 0.273 534 P C -0.426 176.838 177.300 -0.060 0.000 1.252 534 P CA 0.046 63.111 63.100 -0.058 0.000 0.809 534 P CB 0.301 31.966 31.700 -0.059 0.000 1.017 535 A N -0.257 122.537 122.820 -0.044 0.000 2.475 535 A HA -0.012 4.308 4.320 -0.000 0.000 0.239 535 A C 0.456 178.042 177.584 0.004 0.000 1.087 535 A CA 0.110 52.133 52.037 -0.023 0.000 0.779 535 A CB -1.037 17.961 19.000 -0.004 0.000 1.036 535 A HN 0.676 nan 8.150 nan 0.000 0.506 536 E N -0.990 119.246 120.200 0.060 0.000 2.240 536 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 536 E C -1.952 174.696 176.600 0.081 0.000 1.385 536 E CA 0.592 57.118 56.400 0.210 0.000 0.686 536 E CB -1.180 28.663 29.700 0.239 0.000 1.125 536 E HN 0.629 nan 8.360 nan 0.000 0.359 537 P HA -0.105 nan 4.420 nan 0.000 0.255 537 P C 0.648 177.901 177.300 -0.077 0.000 1.301 537 P CA 0.760 63.819 63.100 -0.070 0.000 0.817 537 P CB -0.013 31.616 31.700 -0.118 0.000 1.259 538 H N -0.998 117.987 119.070 -0.141 0.000 2.562 538 H HA 0.203 4.759 4.556 -0.000 0.000 0.267 538 H C 1.593 176.857 175.328 -0.107 0.000 0.959 538 H CA 0.105 56.065 56.048 -0.147 0.000 1.204 538 H CB -0.320 29.424 29.762 -0.030 0.000 1.430 538 H HN 0.048 nan 8.280 nan 0.000 0.545 539 K N 1.486 121.466 120.400 -0.701 0.000 2.173 539 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 539 K C 1.037 177.489 176.600 -0.247 0.000 1.046 539 K CA 1.534 57.529 56.287 -0.486 0.000 0.929 539 K CB 0.045 32.340 32.500 -0.342 0.000 0.720 539 K HN 0.401 nan 8.250 nan 0.000 0.453 540 E N 0.219 120.301 120.200 -0.197 0.000 2.365 540 E HA 0.003 4.353 4.350 -0.000 0.000 0.188 540 E C -0.388 176.133 176.600 -0.131 0.000 1.102 540 E CA -0.412 55.912 56.400 -0.126 0.000 0.927 540 E CB 0.067 29.721 29.700 -0.076 0.000 1.073 540 E HN 0.249 nan 8.360 nan 0.000 0.467 541 c N 0.194 118.671 118.600 -0.205 0.000 2.351 541 c HA 0.189 4.759 4.570 -0.000 0.000 0.359 541 c C -0.769 173.229 174.090 -0.154 0.000 1.193 541 c CA -1.512 54.663 56.329 -0.256 0.000 2.270 541 c CB 1.236 43.418 42.510 -0.546 0.000 2.369 541 c HN 0.265 nan 8.230 nan 0.000 0.553 542 P HA -0.108 nan 4.420 nan 0.000 0.214 542 P C -0.176 177.111 177.300 -0.021 0.000 1.169 542 P CA 1.389 64.465 63.100 -0.040 0.000 0.908 542 P CB 0.003 31.697 31.700 -0.011 0.000 0.791 543 N N 0.179 118.873 118.700 -0.010 0.000 2.406 543 N HA 0.067 4.807 4.740 -0.000 0.000 0.251 543 N C -1.622 173.977 175.510 0.149 0.000 1.069 543 N CA -1.233 51.861 53.050 0.073 0.000 0.947 543 N CB 0.583 39.140 38.487 0.117 0.000 1.111 543 N HN 0.229 nan 8.380 nan 0.000 0.497 544 P HA -0.122 nan 4.420 nan 0.000 0.221 544 P C -0.216 177.262 177.300 0.297 0.000 1.145 544 P CA 1.339 64.526 63.100 0.145 0.000 0.795 544 P CB 0.668 32.407 31.700 0.066 0.000 0.775 545 K N 0.478 121.011 120.400 0.222 0.000 2.378 545 K HA 0.383 4.703 4.320 -0.000 0.000 0.252 545 K C -2.501 174.056 176.600 -0.072 0.000 0.931 545 K CA -2.630 53.708 56.287 0.085 0.000 0.794 545 K CB 2.097 34.605 32.500 0.013 0.000 1.181 545 K HN -0.092 nan 8.250 nan 0.000 0.425 546 P HA -0.132 nan 4.420 nan 0.000 0.269 546 P C -0.735 176.475 177.300 -0.151 0.000 1.205 546 P CA 0.196 62.999 63.100 -0.496 0.000 0.780 546 P CB 0.551 31.968 31.700 -0.472 0.000 0.858 547 D N 1.527 121.891 120.400 -0.061 0.000 2.382 547 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 547 D C 0.557 176.854 176.300 -0.004 0.000 1.120 547 D CA 0.185 54.183 54.000 -0.004 0.000 0.890 547 D CB 0.892 41.710 40.800 0.030 0.000 1.201 547 D HN 0.240 nan 8.370 nan 0.000 0.433 548 K N 0.615 121.026 120.400 0.018 0.000 2.258 548 K HA 0.385 4.705 4.320 -0.000 0.000 0.264 548 K C 0.049 176.698 176.600 0.081 0.000 1.007 548 K CA -0.556 55.760 56.287 0.048 0.000 0.941 548 K CB 0.841 33.383 32.500 0.071 0.000 0.966 548 K HN 0.410 nan 8.250 nan 0.000 0.480 549 A N 3.408 126.304 122.820 0.126 0.000 2.407 549 A HA 0.237 4.557 4.320 -0.000 0.000 0.248 549 A C -2.018 175.639 177.584 0.121 0.000 1.082 549 A CA -1.165 50.951 52.037 0.133 0.000 0.785 549 A CB -0.385 18.725 19.000 0.183 0.000 1.020 549 A HN 0.495 nan 8.150 nan 0.000 0.489 550 P HA 0.187 nan 4.420 nan 0.000 0.271 550 P C -0.595 176.654 177.300 -0.084 0.000 1.216 550 P CA -0.319 62.777 63.100 -0.007 0.000 0.771 550 P CB 0.658 32.341 31.700 -0.028 0.000 0.864 551 L N 3.605 124.741 121.223 -0.145 0.000 2.410 551 L HA 0.139 4.479 4.340 -0.000 0.000 0.273 551 L C 0.019 176.665 176.870 -0.372 0.000 1.152 551 L CA 0.662 55.294 54.840 -0.348 0.000 0.855 551 L CB -0.099 41.753 42.059 -0.345 0.000 1.129 551 L HN 0.334 nan 8.230 nan 0.000 0.463 552 Q N 5.078 124.549 119.800 -0.549 0.000 2.331 552 Q HA 0.463 4.803 4.340 -0.000 0.000 0.267 552 Q C -1.032 174.645 176.000 -0.537 0.000 1.006 552 Q CA -0.666 54.707 55.803 -0.716 0.000 0.818 552 Q CB 1.994 29.862 28.738 -1.450 0.000 1.276 552 Q HN 0.569 nan 8.270 nan 0.000 0.450 553 K N 1.217 121.425 120.400 -0.320 0.000 2.203 553 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 553 K C -1.284 175.301 176.600 -0.025 0.000 0.944 553 K CA -0.827 55.382 56.287 -0.131 0.000 0.829 553 K CB 2.437 34.873 32.500 -0.105 0.000 1.125 553 K HN 0.270 nan 8.250 nan 0.000 0.430 554 V N 1.033 120.980 119.914 0.054 0.000 2.891 554 V HA 0.329 4.449 4.120 -0.000 0.000 0.304 554 V C -1.570 174.513 176.094 -0.018 0.000 1.171 554 V CA -0.414 61.920 62.300 0.057 0.000 0.943 554 V CB 2.354 34.269 31.823 0.154 0.000 1.037 554 V HN 0.798 nan 8.190 nan 0.000 0.427 555 S N 7.134 122.814 115.700 -0.033 0.000 2.437 555 S HA 0.825 5.295 4.470 -0.000 0.000 0.305 555 S C -0.762 173.804 174.600 -0.057 0.000 1.109 555 S CA -0.458 57.726 58.200 -0.027 0.000 1.099 555 S CB 1.051 64.240 63.200 -0.019 0.000 1.004 555 S HN 0.618 nan 8.310 nan 0.000 0.475 556 L N 1.926 123.134 121.223 -0.024 0.000 2.409 556 L HA 0.757 5.097 4.340 -0.000 0.000 0.262 556 L C -0.035 176.865 176.870 0.051 0.000 0.992 556 L CA -1.053 53.749 54.840 -0.064 0.000 0.817 556 L CB 1.892 43.801 42.059 -0.249 0.000 1.350 556 L HN 0.678 nan 8.230 nan 0.000 0.411 557 A N 2.591 125.420 122.820 0.015 0.000 2.302 557 A HA 0.739 5.059 4.320 -0.000 0.000 0.285 557 A C -2.407 175.206 177.584 0.049 0.000 1.105 557 A CA -1.376 50.693 52.037 0.052 0.000 0.816 557 A CB -0.064 18.947 19.000 0.019 0.000 1.067 557 A HN 0.420 nan 8.150 nan 0.000 0.489 558 P HA 0.055 nan 4.420 nan 0.000 0.268 558 P C -0.145 177.158 177.300 0.005 0.000 1.208 558 P CA 0.311 63.445 63.100 0.057 0.000 0.777 558 P CB 0.266 32.026 31.700 0.100 0.000 0.875 559 N N -2.225 116.462 118.700 -0.020 0.000 2.936 559 N HA -0.171 4.569 4.740 -0.000 0.000 0.236 559 N C -0.097 175.399 175.510 -0.024 0.000 0.930 559 N CA 0.960 53.999 53.050 -0.018 0.000 0.966 559 N CB -1.468 37.018 38.487 -0.001 0.000 1.090 559 N HN 0.678 nan 8.380 nan 0.000 0.592 560 S N 0.547 116.223 115.700 -0.039 0.000 2.576 560 S HA 0.237 4.707 4.470 -0.000 0.000 0.276 560 S C 0.268 174.853 174.600 -0.025 0.000 1.339 560 S CA -0.593 57.588 58.200 -0.032 0.000 1.039 560 S CB 1.934 65.103 63.200 -0.052 0.000 0.902 560 S HN 0.357 nan 8.310 nan 0.000 0.516 561 R N 1.189 121.697 120.500 0.014 0.000 2.297 561 R HA 0.524 4.864 4.340 -0.000 0.000 0.308 561 R C -1.388 174.975 176.300 0.105 0.000 1.029 561 R CA -0.448 55.680 56.100 0.047 0.000 0.929 561 R CB 0.506 30.837 30.300 0.052 0.000 1.046 561 R HN 0.819 nan 8.270 nan 0.000 0.461 562 Y N 3.498 123.730 120.300 -0.113 0.000 2.728 562 Y HA 0.453 5.003 4.550 -0.000 0.000 0.330 562 Y C -1.796 173.985 175.900 -0.199 0.000 1.234 562 Y CA -0.864 57.095 58.100 -0.236 0.000 1.070 562 Y CB 1.697 39.958 38.460 -0.333 0.000 1.300 562 Y HN 0.589 nan 8.280 nan 0.000 0.467 563 Y N 0.322 120.100 120.300 -0.870 0.000 2.565 563 Y HA 0.722 5.272 4.550 -0.000 0.000 0.330 563 Y C -2.562 172.658 175.900 -1.134 0.000 1.150 563 Y CA -1.597 55.987 58.100 -0.860 0.000 1.055 563 Y CB 1.005 39.019 38.460 -0.742 0.000 1.337 563 Y HN 0.496 nan 8.280 nan 0.000 0.457 564 L N 3.573 124.289 121.223 -0.845 0.000 2.325 564 L HA 0.622 4.962 4.340 -0.000 0.000 0.281 564 L C -0.325 176.280 176.870 -0.442 0.000 1.004 564 L CA -0.871 53.373 54.840 -0.993 0.000 0.823 564 L CB 2.094 43.176 42.059 -1.628 0.000 1.236 564 L HN 0.803 nan 8.230 nan 0.000 0.415 565 S N 2.437 118.085 115.700 -0.086 0.000 2.454 565 S HA 0.425 4.895 4.470 -0.000 0.000 0.306 565 S C -0.836 173.950 174.600 0.310 0.000 1.100 565 S CA -0.488 57.797 58.200 0.141 0.000 1.087 565 S CB 1.301 64.531 63.200 0.049 0.000 1.019 565 S HN 0.719 nan 8.310 nan 0.000 0.480 566 c N 8.550 127.300 118.600 0.250 0.000 2.362 566 c HA 0.609 5.179 4.570 -0.000 0.000 0.309 566 c C -2.609 171.408 174.090 -0.122 0.000 1.110 566 c CA -2.288 54.062 56.329 0.036 0.000 1.485 566 c CB 0.311 42.665 42.510 -0.260 0.000 1.949 566 c HN 0.725 nan 8.230 nan 0.000 0.419 567 P HA 0.097 nan 4.420 nan 0.000 0.267 567 P C -0.511 176.628 177.300 -0.267 0.000 1.209 567 P CA 0.542 63.559 63.100 -0.138 0.000 0.763 567 P CB 0.512 32.186 31.700 -0.043 0.000 0.816 568 M N 3.129 122.459 119.600 -0.451 0.000 2.201 568 M HA 0.135 4.615 4.480 -0.000 0.000 0.345 568 M C 1.327 177.514 176.300 -0.189 0.000 1.352 568 M CA 0.135 55.016 55.300 -0.699 0.000 1.218 568 M CB 0.391 32.432 32.600 -0.932 0.000 1.512 568 M HN 0.388 nan 8.290 nan 0.000 0.447 569 E N 1.079 121.294 120.200 0.024 0.000 2.028 569 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 569 E C 0.627 177.306 176.600 0.131 0.000 0.988 569 E CA 0.758 57.213 56.400 0.091 0.000 0.799 569 E CB 0.274 30.049 29.700 0.126 0.000 0.755 569 E HN 0.581 nan 8.360 nan 0.000 0.447 570 S N 0.450 116.273 115.700 0.206 0.000 2.465 570 S HA 0.107 4.577 4.470 -0.000 0.000 0.279 570 S C 0.611 175.318 174.600 0.178 0.000 1.201 570 S CA -0.629 57.657 58.200 0.144 0.000 1.053 570 S CB 0.521 63.789 63.200 0.113 0.000 0.953 570 S HN 0.062 nan 8.310 nan 0.000 0.488 571 R N 3.263 123.818 120.500 0.091 0.000 2.320 571 R HA 0.120 4.460 4.340 -0.000 0.000 0.211 571 R C 0.540 176.989 176.300 0.247 0.000 0.931 571 R CA 0.488 56.682 56.100 0.157 0.000 1.071 571 R CB -0.599 29.829 30.300 0.213 0.000 1.025 571 R HN 0.787 nan 8.270 nan 0.000 0.495 572 H N -1.178 117.934 119.070 0.069 0.000 2.705 572 H HA 0.356 4.912 4.556 -0.000 0.000 0.269 572 H C 0.405 175.735 175.328 0.003 0.000 0.998 572 H CA -0.204 55.852 56.048 0.013 0.000 1.193 572 H CB 0.975 30.722 29.762 -0.024 0.000 1.485 572 H HN 0.064 nan 8.280 nan 0.000 0.521 573 A N 1.076 123.978 122.820 0.137 0.000 2.279 573 A HA 0.426 4.746 4.320 -0.000 0.000 0.303 573 A C 0.045 177.615 177.584 -0.022 0.000 1.108 573 A CA -0.269 51.745 52.037 -0.039 0.000 0.830 573 A CB 0.639 19.501 19.000 -0.229 0.000 1.106 573 A HN 0.117 nan 8.150 nan 0.000 0.493 574 T N 1.314 115.765 114.554 -0.171 0.000 2.794 574 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 574 T C -1.372 173.191 174.700 -0.229 0.000 0.987 574 T CA 0.302 62.358 62.100 -0.073 0.000 0.993 574 T CB 0.249 69.078 68.868 -0.066 0.000 0.939 574 T HN 0.364 nan 8.240 nan 0.000 0.449 575 Y N 1.311 121.550 120.300 -0.101 0.000 2.335 575 Y HA 0.518 5.068 4.550 -0.000 0.000 0.338 575 Y C 0.586 176.413 175.900 -0.121 0.000 0.977 575 Y CA -0.735 57.278 58.100 -0.146 0.000 1.114 575 Y CB 1.627 39.964 38.460 -0.205 0.000 1.182 575 Y HN 0.509 nan 8.280 nan 0.000 0.463 576 S N 2.878 118.575 115.700 -0.006 0.000 2.561 576 S HA 0.332 4.802 4.470 -0.000 0.000 0.303 576 S C -1.364 173.282 174.600 0.077 0.000 1.110 576 S CA -0.944 57.292 58.200 0.060 0.000 1.034 576 S CB 0.643 63.893 63.200 0.082 0.000 1.010 576 S HN 0.594 nan 8.310 nan 0.000 0.482 577 W N 2.703 124.098 121.300 0.158 0.000 2.338 577 W HA 0.534 5.194 4.660 -0.000 0.000 0.307 577 W C 0.682 177.342 176.519 0.234 0.000 1.167 577 W CA -0.541 56.925 57.345 0.202 0.000 1.208 577 W CB 0.711 30.267 29.460 0.161 0.000 1.228 577 W HN 0.405 nan 8.180 nan 0.000 0.499 578 R N 3.315 124.166 120.500 0.585 0.000 2.599 578 R HA 0.371 4.711 4.340 -0.000 0.000 0.295 578 R C -1.375 175.200 176.300 0.459 0.000 0.963 578 R CA -0.692 55.666 56.100 0.431 0.000 0.883 578 R CB 1.372 31.855 30.300 0.305 0.000 1.171 578 R HN 0.665 nan 8.270 nan 0.000 0.450 579 H N 3.258 122.416 119.070 0.147 0.000 2.934 579 H HA 0.165 4.721 4.556 -0.000 0.000 0.340 579 H C -0.683 174.635 175.328 -0.017 0.000 1.008 579 H CA -0.577 55.419 56.048 -0.088 0.000 1.317 579 H CB 1.038 30.588 29.762 -0.352 0.000 1.670 579 H HN 0.603 nan 8.280 nan 0.000 0.516 580 K N 3.300 123.600 120.400 -0.167 0.000 3.071 580 K HA -0.228 4.092 4.320 -0.000 0.000 0.265 580 K C 0.107 176.669 176.600 -0.063 0.000 1.060 580 K CA 1.344 57.520 56.287 -0.185 0.000 0.767 580 K CB -1.443 30.834 32.500 -0.372 0.000 1.241 580 K HN 0.974 nan 8.250 nan 0.000 0.486 581 E N -2.511 117.696 120.200 0.012 0.000 3.286 581 E HA -0.283 4.067 4.350 -0.000 0.000 0.292 581 E C -0.760 175.854 176.600 0.023 0.000 0.928 581 E CA 1.103 57.508 56.400 0.008 0.000 0.982 581 E CB -1.308 28.377 29.700 -0.025 0.000 1.500 581 E HN 0.708 nan 8.360 nan 0.000 0.441 582 N N 0.152 118.882 118.700 0.049 0.000 2.342 582 N HA 0.361 5.101 4.740 -0.000 0.000 0.293 582 N C -0.496 175.092 175.510 0.131 0.000 1.026 582 N CA -0.518 52.573 53.050 0.068 0.000 0.857 582 N CB 2.073 40.590 38.487 0.050 0.000 1.256 582 N HN 0.044 nan 8.380 nan 0.000 0.484 583 V N 0.283 120.274 119.914 0.127 0.000 2.479 583 V HA 0.236 4.356 4.120 -0.000 0.000 0.281 583 V C 0.615 176.820 176.094 0.185 0.000 1.031 583 V CA 0.197 62.600 62.300 0.171 0.000 1.038 583 V CB 1.311 33.217 31.823 0.139 0.000 0.981 583 V HN 0.724 nan 8.190 nan 0.000 0.478 584 E N 2.472 122.821 120.200 0.249 0.000 2.307 584 E HA 0.201 4.551 4.350 -0.000 0.000 0.195 584 E C 0.593 177.321 176.600 0.214 0.000 0.975 584 E CA 0.493 57.029 56.400 0.227 0.000 0.878 584 E CB 0.397 30.259 29.700 0.270 0.000 0.845 584 E HN 0.931 nan 8.360 nan 0.000 0.488 585 Q N -0.909 119.052 119.800 0.268 0.000 2.353 585 Q HA 0.536 4.876 4.340 -0.000 0.000 0.275 585 Q C -1.684 174.467 176.000 0.250 0.000 1.029 585 Q CA -0.486 55.474 55.803 0.262 0.000 0.848 585 Q CB 2.126 31.054 28.738 0.318 0.000 1.390 585 Q HN -0.064 nan 8.270 nan 0.000 0.401 586 S N 1.694 117.505 115.700 0.186 0.000 2.571 586 S HA 0.782 5.252 4.470 -0.000 0.000 0.284 586 S C -1.500 173.167 174.600 0.112 0.000 1.128 586 S CA -0.412 57.872 58.200 0.139 0.000 0.970 586 S CB 0.728 63.998 63.200 0.117 0.000 1.039 586 S HN 0.710 nan 8.310 nan 0.000 0.485 587 c N 4.749 123.385 118.600 0.060 0.000 2.346 587 c HA 0.569 5.139 4.570 -0.000 0.000 0.326 587 c C -0.054 174.073 174.090 0.061 0.000 1.224 587 c CA -1.075 55.234 56.329 -0.033 0.000 1.408 587 c CB 0.480 42.756 42.510 -0.391 0.000 2.089 587 c HN 0.815 nan 8.230 nan 0.000 0.456 588 E N 2.806 123.089 120.200 0.138 0.000 2.318 588 E HA 0.207 4.556 4.350 -0.000 0.000 0.265 588 E C -1.902 174.792 176.600 0.157 0.000 1.069 588 E CA -1.474 55.003 56.400 0.128 0.000 0.893 588 E CB 0.432 30.197 29.700 0.108 0.000 1.076 588 E HN 0.254 nan 8.360 nan 0.000 0.414 589 P HA -0.168 nan 4.420 nan 0.000 0.218 589 P C 1.034 178.415 177.300 0.135 0.000 1.150 589 P CA 1.712 64.896 63.100 0.140 0.000 0.841 589 P CB 0.029 31.794 31.700 0.108 0.000 0.784 590 G N -1.847 107.018 108.800 0.109 0.000 3.279 590 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.230 590 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.230 590 G C 0.142 175.089 174.900 0.078 0.000 1.230 590 G CA -0.057 45.089 45.100 0.077 0.000 0.891 590 G HN 0.329 nan 8.290 nan 0.000 0.518 591 H N 0.582 119.663 119.070 0.019 0.000 2.848 591 H HA 0.132 4.688 4.556 -0.000 0.000 0.317 591 H C 1.099 176.411 175.328 -0.027 0.000 1.046 591 H CA 0.357 56.405 56.048 -0.000 0.000 1.470 591 H CB 1.041 30.801 29.762 -0.003 0.000 1.483 591 H HN 0.307 nan 8.280 nan 0.000 0.548 592 Q N 2.430 122.100 119.800 -0.217 0.000 1.990 592 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 592 Q C 0.874 176.832 176.000 -0.070 0.000 0.980 592 Q CA 0.864 56.593 55.803 -0.122 0.000 0.832 592 Q CB 0.031 28.683 28.738 -0.143 0.000 0.897 592 Q HN 0.459 nan 8.270 nan 0.000 0.427 593 S N 1.084 116.757 115.700 -0.044 0.000 2.572 593 S HA 0.051 4.521 4.470 -0.000 0.000 0.279 593 S C -1.776 172.853 174.600 0.049 0.000 1.341 593 S CA -1.344 56.873 58.200 0.027 0.000 1.043 593 S CB 0.723 63.969 63.200 0.077 0.000 0.887 593 S HN 0.067 nan 8.310 nan 0.000 0.516 594 P HA 0.127 nan 4.420 nan 0.000 0.245 594 P C -0.671 176.540 177.300 -0.148 0.000 1.212 594 P CA 0.219 63.236 63.100 -0.137 0.000 0.774 594 P CB -0.034 31.572 31.700 -0.157 0.000 0.999 595 N N -0.351 118.290 118.700 -0.098 0.000 2.238 595 N HA 0.156 4.896 4.740 -0.000 0.000 0.302 595 N C -1.129 174.293 175.510 -0.147 0.000 1.072 595 N CA -0.349 52.620 53.050 -0.135 0.000 0.792 595 N CB 1.819 40.258 38.487 -0.080 0.000 1.425 595 N HN -0.092 nan 8.380 nan 0.000 0.478 596 c N 3.183 121.669 118.600 -0.191 0.000 2.255 596 c HA 0.611 5.181 4.570 -0.000 0.000 0.326 596 c C -0.133 174.065 174.090 0.180 0.000 1.258 596 c CA -0.534 55.722 56.329 -0.121 0.000 1.676 596 c CB -1.739 40.649 42.510 -0.204 0.000 2.314 596 c HN 0.547 nan 8.230 nan 0.000 0.509 597 I N 6.478 127.101 120.570 0.089 0.000 2.404 597 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 597 I C -0.263 175.674 176.117 -0.300 0.000 0.992 597 I CA -0.427 60.784 61.300 -0.148 0.000 1.149 597 I CB 1.606 39.292 38.000 -0.523 0.000 1.315 597 I HN 0.518 nan 8.210 nan 0.000 0.446 598 L N 6.551 127.380 121.223 -0.656 0.000 2.287 598 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 598 L C -1.293 175.191 176.870 -0.643 0.000 1.022 598 L CA -0.260 54.198 54.840 -0.637 0.000 0.814 598 L CB 0.633 42.034 42.059 -1.096 0.000 1.217 598 L HN 0.345 nan 8.230 nan 0.000 0.420 599 F N 5.591 125.414 119.950 -0.212 0.000 2.404 599 F HA 0.464 4.991 4.527 -0.000 0.000 0.339 599 F C 0.231 175.941 175.800 -0.150 0.000 1.105 599 F CA -0.387 57.521 58.000 -0.154 0.000 1.087 599 F CB 1.302 40.245 39.000 -0.094 0.000 1.143 599 F HN 0.243 nan 8.300 nan 0.000 0.491 600 I N 3.183 123.766 120.570 0.021 0.000 2.390 600 I HA 0.142 4.312 4.170 -0.000 0.000 0.283 600 I C 0.933 177.066 176.117 0.028 0.000 1.016 600 I CA -0.263 61.022 61.300 -0.025 0.000 1.151 600 I CB 1.595 39.522 38.000 -0.122 0.000 1.293 600 I HN 0.781 nan 8.210 nan 0.000 0.458 601 E N 5.510 125.728 120.200 0.029 0.000 2.000 601 E HA -0.112 4.238 4.350 -0.000 0.000 0.199 601 E C 0.144 176.746 176.600 0.003 0.000 1.011 601 E CA 1.309 57.721 56.400 0.021 0.000 0.836 601 E CB 0.362 30.070 29.700 0.013 0.000 0.778 601 E HN 0.526 nan 8.360 nan 0.000 0.462 602 N N 0.817 119.509 118.700 -0.012 0.000 2.549 602 N HA 0.152 4.892 4.740 -0.000 0.000 0.281 602 N C -1.359 174.124 175.510 -0.045 0.000 1.084 602 N CA -0.435 52.603 53.050 -0.021 0.000 0.862 602 N CB 1.614 40.095 38.487 -0.009 0.000 1.333 602 N HN 0.093 nan 8.380 nan 0.000 0.523 603 L N 2.998 124.169 121.223 -0.087 0.000 2.615 603 L HA 0.084 4.424 4.340 -0.000 0.000 0.271 603 L C 0.722 177.513 176.870 -0.131 0.000 1.183 603 L CA 0.570 55.310 54.840 -0.167 0.000 0.933 603 L CB -0.217 41.668 42.059 -0.289 0.000 1.199 603 L HN 0.579 nan 8.230 nan 0.000 0.487 604 T N 1.886 116.379 114.554 -0.101 0.000 2.944 604 T HA 0.674 5.024 4.350 -0.000 0.000 0.284 604 T C 1.204 175.917 174.700 0.021 0.000 1.010 604 T CA -0.335 61.757 62.100 -0.015 0.000 1.025 604 T CB 1.460 70.341 68.868 0.021 0.000 1.079 604 T HN 0.701 nan 8.240 nan 0.000 0.516 605 A N 0.752 123.662 122.820 0.151 0.000 1.917 605 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 605 A C 2.363 180.111 177.584 0.274 0.000 1.182 605 A CA 1.412 53.636 52.037 0.312 0.000 0.633 605 A CB -1.071 18.045 19.000 0.194 0.000 0.819 605 A HN 0.824 nan 8.150 nan 0.000 0.448 606 Q N -0.208 119.685 119.800 0.156 0.000 2.234 606 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 606 Q C 1.174 177.299 176.000 0.208 0.000 0.980 606 Q CA 1.561 57.447 55.803 0.138 0.000 0.869 606 Q CB -0.239 28.551 28.738 0.087 0.000 0.912 606 Q HN 1.003 nan 8.270 nan 0.000 0.436 607 Q N -1.149 118.762 119.800 0.185 0.000 2.526 607 Q HA 0.232 4.572 4.340 -0.000 0.000 0.353 607 Q C -0.884 175.166 176.000 0.085 0.000 0.977 607 Q CA -0.245 55.716 55.803 0.263 0.000 1.027 607 Q CB 0.018 28.842 28.738 0.143 0.000 1.272 607 Q HN 0.044 nan 8.270 nan 0.000 0.420 608 Y N -0.086 120.339 120.300 0.208 0.000 2.528 608 Y HA 0.688 5.238 4.550 -0.000 0.000 0.335 608 Y C 0.985 176.980 175.900 0.158 0.000 1.093 608 Y CA 0.657 58.828 58.100 0.117 0.000 1.134 608 Y CB 2.129 40.629 38.460 0.065 0.000 1.253 608 Y HN 0.496 nan 8.280 nan 0.000 0.478 609 G N 0.668 109.630 108.800 0.270 0.000 2.337 609 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.197 609 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.197 609 G C -1.463 173.394 174.900 -0.072 0.000 1.238 609 G CA -1.089 44.080 45.100 0.115 0.000 1.119 609 G HN 0.690 nan 8.290 nan 0.000 0.514 610 H N -0.154 118.977 119.070 0.102 0.000 2.548 610 H HA 0.545 5.101 4.556 -0.000 0.000 0.331 610 H C -0.953 174.282 175.328 -0.155 0.000 1.093 610 H CA 0.517 56.581 56.048 0.027 0.000 1.367 610 H CB 1.048 30.838 29.762 0.047 0.000 1.455 610 H HN 0.382 nan 8.280 nan 0.000 0.519 611 Y N 2.416 122.733 120.300 0.028 0.000 2.346 611 Y HA 0.242 4.792 4.550 -0.000 0.000 0.332 611 Y C -0.709 175.292 175.900 0.168 0.000 0.985 611 Y CA -0.608 57.589 58.100 0.162 0.000 1.112 611 Y CB 1.107 39.627 38.460 0.100 0.000 1.170 611 Y HN 0.419 nan 8.280 nan 0.000 0.447 612 F N 1.899 122.198 119.950 0.582 0.000 2.522 612 F HA 0.573 5.100 4.527 -0.000 0.000 0.324 612 F C -0.239 175.702 175.800 0.236 0.000 1.077 612 F CA -1.052 57.162 58.000 0.357 0.000 0.944 612 F CB 1.416 40.479 39.000 0.104 0.000 1.175 612 F HN 0.386 nan 8.300 nan 0.000 0.468 613 c N 3.579 122.191 118.600 0.020 0.000 2.293 613 c HA 0.522 5.092 4.570 -0.000 0.000 0.323 613 c C -0.404 173.597 174.090 -0.149 0.000 1.240 613 c CA -0.291 55.728 56.329 -0.516 0.000 1.497 613 c CB -0.457 41.301 42.510 -1.253 0.000 2.171 613 c HN 0.949 nan 8.230 nan 0.000 0.465 614 E N 3.922 124.065 120.200 -0.095 0.000 2.195 614 E HA 0.703 5.053 4.350 -0.000 0.000 0.271 614 E C -0.756 175.706 176.600 -0.229 0.000 0.923 614 E CA -0.394 55.953 56.400 -0.089 0.000 0.790 614 E CB 1.812 31.503 29.700 -0.014 0.000 1.155 614 E HN 0.883 nan 8.360 nan 0.000 0.402 615 A N 4.211 126.822 122.820 -0.349 0.000 2.304 615 A HA 0.346 4.666 4.320 -0.000 0.000 0.323 615 A C -0.857 176.406 177.584 -0.535 0.000 1.195 615 A CA -0.561 51.070 52.037 -0.677 0.000 0.826 615 A CB 1.323 19.834 19.000 -0.815 0.000 1.184 615 A HN 0.624 nan 8.150 nan 0.000 0.496 616 Q N 2.094 121.557 119.800 -0.563 0.000 2.309 616 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 616 Q C -0.354 175.391 176.000 -0.424 0.000 1.023 616 Q CA -0.321 55.077 55.803 -0.676 0.000 0.758 616 Q CB 1.443 29.694 28.738 -0.812 0.000 1.247 616 Q HN 0.943 nan 8.270 nan 0.000 0.455 617 E N 1.967 121.986 120.200 -0.302 0.000 2.045 617 E HA 0.084 4.434 4.350 -0.000 0.000 0.195 617 E C 0.812 177.326 176.600 -0.143 0.000 0.953 617 E CA 0.877 57.194 56.400 -0.138 0.000 0.859 617 E CB 0.229 29.916 29.700 -0.022 0.000 0.854 617 E HN 0.765 nan 8.360 nan 0.000 0.471 618 G N 0.162 108.896 108.800 -0.110 0.000 2.543 618 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.221 618 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.221 618 G C 1.163 175.996 174.900 -0.111 0.000 1.902 618 G CA 0.597 45.643 45.100 -0.090 0.000 0.838 618 G HN 0.342 nan 8.290 nan 0.000 0.650 619 S N -1.350 114.334 115.700 -0.027 0.000 2.539 619 S HA 0.314 4.784 4.470 -0.000 0.000 0.221 619 S C 0.149 174.796 174.600 0.078 0.000 0.987 619 S CA -0.520 57.712 58.200 0.053 0.000 0.929 619 S CB -0.151 63.113 63.200 0.107 0.000 0.832 619 S HN 0.302 nan 8.310 nan 0.000 0.492 620 Y N 1.696 121.873 120.300 -0.206 0.000 2.319 620 Y HA 0.601 5.151 4.550 -0.000 0.000 0.328 620 Y C -0.928 174.707 175.900 -0.442 0.000 1.133 620 Y CA -1.385 56.567 58.100 -0.246 0.000 1.265 620 Y CB 0.387 38.668 38.460 -0.299 0.000 1.218 620 Y HN 0.143 nan 8.280 nan 0.000 0.508 621 F N 5.467 124.864 119.950 -0.923 0.000 2.563 621 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 621 F C -0.257 174.991 175.800 -0.919 0.000 1.076 621 F CA -0.966 56.613 58.000 -0.702 0.000 0.921 621 F CB 1.777 40.520 39.000 -0.428 0.000 1.209 621 F HN 0.288 nan 8.300 nan 0.000 0.462 622 R N 2.093 122.357 120.500 -0.393 0.000 2.561 622 R HA 0.163 4.503 4.340 -0.000 0.000 0.266 622 R C -1.530 174.678 176.300 -0.154 0.000 1.091 622 R CA -0.637 55.273 56.100 -0.317 0.000 0.927 622 R CB 2.184 32.326 30.300 -0.263 0.000 1.240 622 R HN 0.878 nan 8.270 nan 0.000 0.449 623 E N 2.452 122.596 120.200 -0.093 0.000 2.052 623 E HA 0.328 4.678 4.350 -0.000 0.000 0.283 623 E C 0.121 176.742 176.600 0.035 0.000 1.071 623 E CA 0.120 56.516 56.400 -0.007 0.000 0.851 623 E CB 0.986 30.704 29.700 0.030 0.000 1.066 623 E HN 0.643 nan 8.360 nan 0.000 0.396 624 A N 4.365 127.207 122.820 0.036 0.000 2.030 624 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 624 A C 0.747 178.393 177.584 0.103 0.000 1.164 624 A CA 0.529 52.608 52.037 0.070 0.000 0.697 624 A CB 0.348 19.410 19.000 0.104 0.000 0.827 624 A HN 0.581 nan 8.150 nan 0.000 0.457 625 Q N -1.603 118.270 119.800 0.122 0.000 2.377 625 Q HA 0.503 4.843 4.340 -0.000 0.000 0.279 625 Q C -1.434 174.806 176.000 0.400 0.000 1.049 625 Q CA -0.386 55.567 55.803 0.249 0.000 0.825 625 Q CB 1.619 30.499 28.738 0.236 0.000 1.401 625 Q HN 0.549 nan 8.270 nan 0.000 0.404 626 H N 1.979 121.206 119.070 0.262 0.000 3.240 626 H HA 0.434 4.989 4.556 -0.000 0.000 0.326 626 H C -1.679 173.700 175.328 0.084 0.000 1.015 626 H CA -0.495 55.641 56.048 0.147 0.000 1.504 626 H CB 0.692 30.515 29.762 0.103 0.000 1.754 626 H HN 0.567 nan 8.280 nan 0.000 0.505 627 W N 2.918 124.378 121.300 0.266 0.000 2.719 627 W HA 0.377 5.037 4.660 -0.000 0.000 0.352 627 W C -0.692 175.850 176.519 0.039 0.000 1.085 627 W CA -0.662 56.745 57.345 0.103 0.000 1.187 627 W CB 1.883 31.419 29.460 0.128 0.000 1.417 627 W HN 0.537 nan 8.180 nan 0.000 0.557 628 Q N 2.194 122.083 119.800 0.149 0.000 2.275 628 Q HA 0.362 4.702 4.340 -0.000 0.000 0.266 628 Q C -1.680 174.345 176.000 0.040 0.000 1.002 628 Q CA -0.555 55.197 55.803 -0.084 0.000 0.761 628 Q CB 1.136 29.664 28.738 -0.350 0.000 1.255 628 Q HN 0.372 nan 8.270 nan 0.000 0.446 629 L N 5.834 127.112 121.223 0.092 0.000 2.261 629 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 629 L C -0.556 176.434 176.870 0.201 0.000 1.059 629 L CA -0.097 54.807 54.840 0.107 0.000 0.816 629 L CB 0.515 42.615 42.059 0.069 0.000 1.191 629 L HN 0.726 nan 8.230 nan 0.000 0.431 630 L N 6.502 127.793 121.223 0.115 0.000 2.322 630 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 630 L C -2.000 174.892 176.870 0.037 0.000 1.036 630 L CA -1.823 53.038 54.840 0.035 0.000 0.807 630 L CB 2.065 44.108 42.059 -0.026 0.000 1.226 630 L HN 0.367 nan 8.230 nan 0.000 0.433 631 P HA 0.154 nan 4.420 nan 0.000 0.276 631 P C -1.024 176.206 177.300 -0.117 0.000 1.235 631 P CA -0.141 62.759 63.100 -0.334 0.000 0.772 631 P CB 1.260 32.513 31.700 -0.745 0.000 0.871 632 E N 2.690 122.873 120.200 -0.028 0.000 2.454 632 E HA 0.177 4.527 4.350 -0.000 0.000 0.315 632 E C -0.972 175.626 176.600 -0.003 0.000 0.907 632 E CA -0.228 56.157 56.400 -0.023 0.000 0.797 632 E CB 1.878 31.566 29.700 -0.020 0.000 1.396 632 E HN 0.592 nan 8.360 nan 0.000 0.389 633 D N 0.000 120.395 120.400 -0.008 0.000 6.856 633 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 633 D CA 0.000 54.000 54.000 0.000 0.000 0.868 633 D CB 0.000 40.805 40.800 0.009 0.000 0.688 633 D HN 0.000 nan 8.370 nan 0.000 0.683