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 2ay7_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.303 176.300 0.006 0.000 1.140 5 M CA 0.000 55.303 55.300 0.005 0.000 0.988 5 M CB 0.000 32.603 32.600 0.005 0.000 1.302 6 L N 1.127 122.354 121.223 0.006 0.000 2.189 6 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 6 L C 2.014 178.888 176.870 0.006 0.000 1.097 6 L CA 1.540 56.385 54.840 0.007 0.000 0.764 6 L CB -1.183 40.881 42.059 0.007 0.000 0.900 6 L HN 0.783 nan 8.230 nan 0.000 0.436 7 G N -0.094 108.709 108.800 0.005 0.000 2.498 7 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 7 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 7 G C 1.120 176.023 174.900 0.004 0.000 1.119 7 G CA 0.611 45.714 45.100 0.004 0.000 0.766 7 G HN 0.546 nan 8.290 nan 0.000 0.552 8 N N -0.325 118.378 118.700 0.005 0.000 2.383 8 N HA 0.210 4.950 4.740 -0.000 0.000 0.192 8 N C 0.024 175.538 175.510 0.007 0.000 1.141 8 N CA -0.434 52.619 53.050 0.005 0.000 0.851 8 N CB 0.290 38.779 38.487 0.004 0.000 0.976 8 N HN 0.222 nan 8.380 nan 0.000 0.465 9 L N 1.784 123.013 121.223 0.009 0.000 2.410 9 L HA 0.121 4.461 4.340 -0.000 0.000 0.273 9 L C 0.311 177.187 176.870 0.010 0.000 1.144 9 L CA 0.070 54.917 54.840 0.012 0.000 0.863 9 L CB 0.508 42.575 42.059 0.013 0.000 1.140 9 L HN 0.008 nan 8.230 nan 0.000 0.463 10 K N 4.807 125.214 120.400 0.013 0.000 2.218 10 K HA 0.327 4.647 4.320 -0.000 0.000 0.276 10 K C -2.050 174.556 176.600 0.011 0.000 1.022 10 K CA -1.532 54.761 56.287 0.011 0.000 0.946 10 K CB 0.362 32.869 32.500 0.012 0.000 1.000 10 K HN 0.399 nan 8.250 nan 0.000 0.468 11 P HA 0.002 nan 4.420 nan 0.000 0.271 11 P C -0.987 176.316 177.300 0.006 0.000 1.218 11 P CA -0.138 62.965 63.100 0.004 0.000 0.780 11 P CB 0.787 32.488 31.700 0.001 0.000 0.901 12 Q N 0.226 120.027 119.800 0.002 0.000 2.345 12 Q HA 0.568 4.908 4.340 -0.000 0.000 0.268 12 Q C -0.433 175.561 176.000 -0.010 0.000 1.054 12 Q CA -0.867 54.937 55.803 0.001 0.000 0.835 12 Q CB 2.684 31.423 28.738 0.001 0.000 1.339 12 Q HN 0.598 nan 8.270 nan 0.000 0.447 13 A N 3.720 126.532 122.820 -0.013 0.000 2.450 13 A HA 0.491 4.811 4.320 -0.000 0.000 0.255 13 A C -1.531 176.032 177.584 -0.036 0.000 1.096 13 A CA -0.661 51.363 52.037 -0.023 0.000 0.778 13 A CB -0.501 18.485 19.000 -0.023 0.000 1.031 13 A HN 0.490 nan 8.150 nan 0.000 0.494 14 P HA 0.217 nan 4.420 nan 0.000 0.277 14 P C -0.977 176.285 177.300 -0.063 0.000 1.271 14 P CA -0.547 62.525 63.100 -0.047 0.000 0.795 14 P CB 0.621 32.300 31.700 -0.036 0.000 1.101 15 D N 0.575 120.932 120.400 -0.072 0.000 2.339 15 D HA 0.030 4.670 4.640 -0.000 0.000 0.241 15 D C 1.025 177.282 176.300 -0.072 0.000 1.183 15 D CA -0.141 53.803 54.000 -0.094 0.000 0.859 15 D CB 0.759 41.497 40.800 -0.103 0.000 1.067 15 D HN 0.194 nan 8.370 nan 0.000 0.484 16 K N 3.113 123.470 120.400 -0.073 0.000 2.147 16 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 16 K C 1.896 178.470 176.600 -0.042 0.000 1.049 16 K CA 0.844 57.102 56.287 -0.049 0.000 0.936 16 K CB 0.344 32.818 32.500 -0.045 0.000 0.722 16 K HN 0.557 nan 8.250 nan 0.000 0.446 17 I N 1.100 121.634 120.570 -0.059 0.000 2.202 17 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 17 I C 2.185 178.287 176.117 -0.025 0.000 1.091 17 I CA 1.170 62.446 61.300 -0.040 0.000 1.368 17 I CB -0.275 37.698 38.000 -0.045 0.000 1.058 17 I HN 0.089 nan 8.210 nan 0.000 0.410 18 L N 0.596 121.799 121.223 -0.033 0.000 2.291 18 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 18 L C 2.802 179.657 176.870 -0.026 0.000 1.120 18 L CA 0.766 55.591 54.840 -0.025 0.000 0.799 18 L CB -0.657 41.385 42.059 -0.029 0.000 0.925 18 L HN 0.219 nan 8.230 nan 0.000 0.446 19 A N 0.416 123.219 122.820 -0.028 0.000 1.972 19 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 19 A C 2.231 179.801 177.584 -0.024 0.000 1.169 19 A CA 1.182 53.204 52.037 -0.025 0.000 0.635 19 A CB -0.590 18.396 19.000 -0.023 0.000 0.810 19 A HN 0.377 nan 8.150 nan 0.000 0.446 20 L N -1.116 120.097 121.223 -0.017 0.000 2.187 20 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 20 L C 2.712 179.566 176.870 -0.026 0.000 1.100 20 L CA 1.358 56.188 54.840 -0.016 0.000 0.765 20 L CB -0.556 41.509 42.059 0.011 0.000 0.904 20 L HN 0.467 nan 8.230 nan 0.000 0.437 21 M N -0.805 118.781 119.600 -0.024 0.000 2.159 21 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 21 M C 2.289 178.598 176.300 0.015 0.000 1.063 21 M CA 1.872 57.167 55.300 -0.010 0.000 1.110 21 M CB -0.789 31.800 32.600 -0.018 0.000 1.374 21 M HN 0.334 nan 8.290 nan 0.000 0.411 22 G N 0.189 108.981 108.800 -0.014 0.000 2.394 22 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 22 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 22 G C 1.115 175.980 174.900 -0.059 0.000 1.165 22 G CA 0.290 45.375 45.100 -0.025 0.000 0.784 22 G HN 0.498 nan 8.290 nan 0.000 0.535 23 E N -0.756 119.386 120.200 -0.097 0.000 2.520 23 E HA 0.163 4.513 4.350 -0.000 0.000 0.201 23 E C -0.206 176.151 176.600 -0.404 0.000 1.122 23 E CA -0.232 56.031 56.400 -0.229 0.000 0.896 23 E CB 0.012 29.572 29.700 -0.234 0.000 0.891 23 E HN 0.421 nan 8.360 nan 0.000 0.533 32 K N 0.615 121.053 120.400 0.064 0.000 2.270 32 K HA 0.537 4.857 4.320 -0.000 0.000 0.276 32 K C -0.200 176.610 176.600 0.349 0.000 1.023 32 K CA 0.005 56.385 56.287 0.154 0.000 0.955 32 K CB 1.593 33.984 32.500 -0.182 0.000 0.975 32 K HN 0.219 nan 8.250 nan 0.000 0.471 33 I N 2.188 123.007 120.570 0.415 0.000 2.411 33 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 33 I C -0.651 175.627 176.117 0.268 0.000 1.012 33 I CA -0.828 60.639 61.300 0.278 0.000 1.119 33 I CB 1.525 39.593 38.000 0.113 0.000 1.261 33 I HN 0.524 nan 8.210 nan 0.000 0.448 34 D N 7.019 127.412 120.400 -0.012 0.000 2.365 34 D HA 0.296 4.936 4.640 -0.000 0.000 0.237 34 D C -0.259 175.942 176.300 -0.165 0.000 1.190 34 D CA 0.019 53.776 54.000 -0.405 0.000 0.867 34 D CB 1.020 41.229 40.800 -0.985 0.000 1.050 34 D HN 0.274 nan 8.370 nan 0.000 0.491 35 L N 3.843 125.034 121.223 -0.053 0.000 3.255 35 L HA 0.445 4.785 4.340 -0.000 0.000 0.293 35 L C 1.069 177.965 176.870 0.042 0.000 1.302 35 L CA -0.173 54.669 54.840 0.004 0.000 0.977 35 L CB 1.089 43.169 42.059 0.035 0.000 1.390 35 L HN 0.547 nan 8.230 nan 0.000 0.588 36 G N -1.310 107.491 108.800 0.003 0.000 2.766 36 G HA2 0.224 4.184 3.960 -0.000 0.000 0.206 36 G HA3 0.224 4.184 3.960 -0.000 0.000 0.206 36 G C -0.064 174.879 174.900 0.071 0.000 2.072 36 G CA -0.192 44.928 45.100 0.033 0.000 0.798 36 G HN -0.130 nan 8.290 nan 0.000 0.703 37 V N 2.165 122.097 119.914 0.030 0.000 2.726 37 V HA 0.194 4.314 4.120 -0.000 0.000 0.304 37 V C 1.605 177.800 176.094 0.169 0.000 1.115 37 V CA 0.780 63.123 62.300 0.071 0.000 1.264 37 V CB 0.638 32.463 31.823 0.004 0.000 0.867 37 V HN 0.607 nan 8.190 nan 0.000 0.498 38 G N 5.279 114.279 108.800 0.333 0.000 3.090 38 G HA2 0.366 4.326 3.960 -0.000 0.000 0.259 38 G HA3 0.366 4.326 3.960 -0.000 0.000 0.259 38 G C -0.033 175.023 174.900 0.261 0.000 0.797 38 G CA 0.308 45.723 45.100 0.524 0.000 2.032 38 G HN 0.979 nan 8.290 nan 0.000 0.614 39 V N -0.989 118.972 119.914 0.078 0.000 2.680 39 V HA 0.668 4.788 4.120 -0.000 0.000 0.309 39 V C -0.387 175.741 176.094 0.056 0.000 1.052 39 V CA -2.100 60.185 62.300 -0.026 0.000 0.908 39 V CB 1.366 32.963 31.823 -0.377 0.000 1.001 39 V HN 0.306 nan 8.190 nan 0.000 0.431 40 Y N 3.147 123.521 120.300 0.123 0.000 2.411 40 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 40 Y C 0.131 176.085 175.900 0.090 0.000 1.186 40 Y CA 0.083 58.259 58.100 0.126 0.000 1.381 40 Y CB 0.772 39.398 38.460 0.277 0.000 1.273 40 Y HN 0.827 nan 8.280 nan 0.000 0.546 41 K N 4.736 124.577 120.400 -0.931 0.000 2.422 41 K HA 0.251 4.571 4.320 -0.000 0.000 0.251 41 K C -1.152 174.906 176.600 -0.904 0.000 0.933 41 K CA -1.028 54.835 56.287 -0.707 0.000 0.798 41 K CB 1.405 33.697 32.500 -0.346 0.000 1.238 41 K HN 0.777 nan 8.250 nan 0.000 0.428 42 D N 0.757 120.881 120.400 -0.459 0.000 2.506 42 D HA 0.213 4.853 4.640 -0.000 0.000 0.272 42 D C 0.955 177.214 176.300 -0.068 0.000 1.214 42 D CA -0.516 53.383 54.000 -0.168 0.000 1.067 42 D CB 0.383 41.216 40.800 0.056 0.000 1.117 42 D HN 0.412 nan 8.370 nan 0.000 0.578 43 A N -0.534 122.294 122.820 0.014 0.000 1.997 43 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 43 A C 1.712 179.306 177.584 0.017 0.000 1.172 43 A CA 2.590 54.639 52.037 0.019 0.000 0.645 43 A CB -1.347 17.677 19.000 0.040 0.000 0.813 43 A HN 0.749 nan 8.150 nan 0.000 0.454 44 T N -4.355 110.232 114.554 0.056 0.000 3.243 44 T HA 0.458 4.808 4.350 -0.000 0.000 0.264 44 T C 1.024 175.663 174.700 -0.102 0.000 1.000 44 T CA 0.754 62.898 62.100 0.074 0.000 0.901 44 T CB -0.207 68.802 68.868 0.235 0.000 1.083 44 T HN 1.725 nan 8.240 nan 0.000 0.559 45 G N 1.465 110.174 108.800 -0.152 0.000 2.249 45 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.273 45 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.273 45 G C -0.302 174.346 174.900 -0.420 0.000 1.036 45 G CA 0.164 45.102 45.100 -0.272 0.000 0.824 45 G HN 0.799 nan 8.290 nan 0.000 0.504 46 H N -0.911 118.116 119.070 -0.072 0.000 2.524 46 H HA 0.623 5.179 4.556 -0.000 0.000 0.353 46 H C -0.043 175.249 175.328 -0.059 0.000 1.136 46 H CA -0.249 55.773 56.048 -0.043 0.000 1.193 46 H CB 1.682 31.443 29.762 -0.002 0.000 1.558 46 H HN 0.076 nan 8.280 nan 0.000 0.515 47 T N 5.670 120.288 114.554 0.107 0.000 3.016 47 T HA 0.200 4.550 4.350 -0.000 0.000 0.335 47 T C -2.040 172.788 174.700 0.214 0.000 1.176 47 T CA -1.250 60.928 62.100 0.129 0.000 0.987 47 T CB 0.092 68.999 68.868 0.065 0.000 1.073 47 T HN 0.466 nan 8.240 nan 0.000 0.547 48 P HA 0.400 nan 4.420 nan 0.000 0.274 48 P C -0.436 177.003 177.300 0.231 0.000 1.256 48 P CA -0.630 62.592 63.100 0.204 0.000 0.795 48 P CB 1.179 32.991 31.700 0.186 0.000 1.038 49 I N 0.804 121.481 120.570 0.178 0.000 2.353 49 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 49 I C 1.134 177.356 176.117 0.175 0.000 0.992 49 I CA -0.767 60.648 61.300 0.192 0.000 1.268 49 I CB 0.699 38.807 38.000 0.180 0.000 1.387 49 I HN 0.177 nan 8.210 nan 0.000 0.478 50 M N 5.247 124.964 119.600 0.195 0.000 2.248 50 M HA 0.157 4.637 4.480 -0.000 0.000 0.337 50 M C 1.382 177.784 176.300 0.170 0.000 1.121 50 M CA 0.209 55.616 55.300 0.178 0.000 1.155 50 M CB 0.489 33.222 32.600 0.222 0.000 1.514 50 M HN 0.549 nan 8.290 nan 0.000 0.452 51 R N 1.693 122.275 120.500 0.136 0.000 2.096 51 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 51 R C 2.158 178.554 176.300 0.160 0.000 1.139 51 R CA 1.943 58.120 56.100 0.129 0.000 0.952 51 R CB -0.744 29.609 30.300 0.089 0.000 0.854 51 R HN 0.889 nan 8.270 nan 0.000 0.436 52 A N 0.760 123.677 122.820 0.162 0.000 1.933 52 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 52 A C 2.419 180.075 177.584 0.120 0.000 1.175 52 A CA 1.483 53.607 52.037 0.146 0.000 0.628 52 A CB -0.511 18.601 19.000 0.186 0.000 0.814 52 A HN 0.137 nan 8.150 nan 0.000 0.444 53 V N -0.428 119.574 119.914 0.147 0.000 2.295 53 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 53 V C 2.507 178.666 176.094 0.109 0.000 1.049 53 V CA 2.142 64.510 62.300 0.114 0.000 1.024 53 V CB -0.966 30.950 31.823 0.154 0.000 0.648 53 V HN 0.786 nan 8.190 nan 0.000 0.447 54 H N 0.439 119.551 119.070 0.069 0.000 2.353 54 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 54 H C 2.257 177.612 175.328 0.045 0.000 1.090 54 H CA 1.888 57.973 56.048 0.061 0.000 1.327 54 H CB 0.116 29.916 29.762 0.063 0.000 1.383 54 H HN 0.405 nan 8.280 nan 0.000 0.508 55 A N 1.004 123.877 122.820 0.088 0.000 1.933 55 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 55 A C 2.687 180.253 177.584 -0.030 0.000 1.175 55 A CA 1.533 53.587 52.037 0.028 0.000 0.628 55 A CB -0.891 18.153 19.000 0.072 0.000 0.814 55 A HN 0.566 nan 8.150 nan 0.000 0.444 56 A N -0.035 122.769 122.820 -0.026 0.000 1.877 56 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 56 A C 1.929 179.459 177.584 -0.090 0.000 1.186 56 A CA 1.639 53.639 52.037 -0.062 0.000 0.620 56 A CB -0.566 18.384 19.000 -0.082 0.000 0.822 56 A HN 0.625 nan 8.150 nan 0.000 0.443 57 E N -0.326 119.813 120.200 -0.101 0.000 2.077 57 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 57 E C 2.319 178.867 176.600 -0.086 0.000 0.989 57 E CA 1.465 57.817 56.400 -0.080 0.000 0.800 57 E CB -0.246 29.427 29.700 -0.045 0.000 0.746 57 E HN 0.741 nan 8.360 nan 0.000 0.452 58 Q N 0.310 120.017 119.800 -0.155 0.000 2.084 58 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 58 Q C 2.342 178.310 176.000 -0.054 0.000 0.978 58 Q CA 0.943 56.675 55.803 -0.118 0.000 0.844 58 Q CB -0.195 28.463 28.738 -0.134 0.000 0.898 58 Q HN 0.110 nan 8.270 nan 0.000 0.426 59 R N 0.819 121.291 120.500 -0.046 0.000 2.096 59 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 59 R C 2.022 178.312 176.300 -0.018 0.000 1.127 59 R CA 1.344 57.429 56.100 -0.026 0.000 0.968 59 R CB -0.138 30.147 30.300 -0.024 0.000 0.861 59 R HN 0.326 nan 8.270 nan 0.000 0.440 60 M N 0.371 119.957 119.600 -0.023 0.000 2.175 60 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 60 M C 2.220 178.534 176.300 0.023 0.000 1.063 60 M CA 0.926 56.228 55.300 0.003 0.000 1.119 60 M CB -0.205 32.390 32.600 -0.008 0.000 1.377 60 M HN 0.144 nan 8.290 nan 0.000 0.415 61 L N 0.538 121.769 121.223 0.014 0.000 2.191 61 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 61 L C 1.702 178.574 176.870 0.005 0.000 1.103 61 L CA 1.975 56.823 54.840 0.014 0.000 0.769 61 L CB -0.508 41.552 42.059 0.001 0.000 0.908 61 L HN 0.414 nan 8.230 nan 0.000 0.438 62 E N -1.247 118.954 120.200 0.000 0.000 2.166 62 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 62 E C 1.914 178.513 176.600 -0.000 0.000 0.967 62 E CA 1.233 57.632 56.400 -0.002 0.000 0.840 62 E CB 0.241 29.939 29.700 -0.003 0.000 0.795 62 E HN 0.579 nan 8.360 nan 0.000 0.470 63 T N -0.627 113.929 114.554 0.003 0.000 2.978 63 T HA 0.008 4.358 4.350 -0.000 0.000 0.262 63 T C 1.028 175.731 174.700 0.004 0.000 1.063 63 T CA 0.135 62.237 62.100 0.005 0.000 1.140 63 T CB 0.093 68.966 68.868 0.008 0.000 0.886 63 T HN -0.152 nan 8.240 nan 0.000 0.470 67 T N 0.427 114.917 114.554 -0.107 0.000 2.853 67 T HA 0.598 4.948 4.350 -0.000 0.000 0.311 67 T C -1.534 173.039 174.700 -0.211 0.000 1.307 67 T CA -0.612 61.403 62.100 -0.142 0.000 1.019 67 T CB 2.125 70.909 68.868 -0.139 0.000 1.264 67 T HN 0.111 nan 8.240 nan 0.000 0.497 68 K N 1.901 122.160 120.400 -0.234 0.000 2.592 68 K HA 0.233 4.553 4.320 -0.000 0.000 0.203 68 K C 0.272 176.652 176.600 -0.368 0.000 1.070 68 K CA -0.310 55.792 56.287 -0.308 0.000 1.062 68 K CB 0.632 32.992 32.500 -0.234 0.000 0.814 68 K HN 0.778 nan 8.250 nan 0.000 0.502 69 T N -0.256 114.092 114.554 -0.343 0.000 2.734 69 T HA 0.012 4.362 4.350 -0.000 0.000 0.314 69 T C 0.385 174.818 174.700 -0.445 0.000 1.057 69 T CA -0.116 61.749 62.100 -0.391 0.000 1.047 69 T CB 0.239 68.960 68.868 -0.244 0.000 0.991 69 T HN -0.023 nan 8.240 nan 0.000 0.540 70 Y N 0.654 120.735 120.300 -0.364 0.000 2.712 70 Y HA 0.380 4.930 4.550 -0.000 0.000 0.333 70 Y C 1.010 176.585 175.900 -0.541 0.000 1.225 70 Y CA 0.025 57.727 58.100 -0.665 0.000 1.499 70 Y CB -0.350 37.621 38.460 -0.816 0.000 1.288 70 Y HN 0.934 nan 8.280 nan 0.000 0.575 71 A N 2.769 125.350 122.820 -0.400 0.000 3.804 71 A HA 0.760 5.080 4.320 -0.000 0.000 0.174 71 A C 0.672 178.277 177.584 0.035 0.000 1.510 71 A CA -0.025 51.925 52.037 -0.145 0.000 1.542 71 A CB -0.617 18.341 19.000 -0.070 0.000 1.611 71 A HN 0.797 nan 8.150 nan 0.000 0.626 72 G N -1.101 107.804 108.800 0.175 0.000 2.356 72 G HA2 0.453 4.413 3.960 -0.000 0.000 0.298 72 G HA3 0.453 4.413 3.960 -0.000 0.000 0.298 72 G C 0.330 175.487 174.900 0.428 0.000 1.145 72 G CA -0.304 44.963 45.100 0.278 0.000 0.850 72 G HN 0.554 nan 8.290 nan 0.000 0.487 73 L N 2.163 123.609 121.223 0.372 0.000 2.201 73 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 73 L C 2.333 179.281 176.870 0.131 0.000 1.105 73 L CA 1.799 56.733 54.840 0.158 0.000 0.775 73 L CB 0.037 42.041 42.059 -0.091 0.000 0.913 73 L HN 0.426 nan 8.230 nan 0.000 0.440 74 S N -0.248 115.537 115.700 0.141 0.000 2.577 74 S HA 0.584 5.054 4.470 -0.000 0.000 0.219 74 S C 0.621 175.317 174.600 0.160 0.000 0.962 74 S CA 0.268 58.545 58.200 0.128 0.000 0.921 74 S CB -0.217 63.045 63.200 0.103 0.000 0.789 74 S HN 0.749 nan 8.310 nan 0.000 0.497 75 G N 1.603 110.511 108.800 0.181 0.000 2.592 75 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.684 75 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.684 75 G C -1.465 173.537 174.900 0.171 0.000 1.291 75 G CA -1.052 44.147 45.100 0.165 0.000 0.891 75 G HN 0.102 nan 8.290 nan 0.000 0.544 76 E N 0.690 120.986 120.200 0.160 0.000 2.301 76 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 76 E C -1.448 175.246 176.600 0.157 0.000 1.030 76 E CA -1.825 54.669 56.400 0.156 0.000 0.852 76 E CB 1.283 31.071 29.700 0.147 0.000 1.060 76 E HN 0.139 nan 8.360 nan 0.000 0.401 77 P HA -0.198 nan 4.420 nan 0.000 0.216 77 P C 0.611 177.951 177.300 0.066 0.000 1.153 77 P CA 1.477 64.626 63.100 0.081 0.000 0.858 77 P CB 0.402 32.140 31.700 0.062 0.000 0.789 78 E N -1.442 118.800 120.200 0.070 0.000 2.085 78 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 78 E C 1.797 178.425 176.600 0.047 0.000 0.994 78 E CA 1.034 57.460 56.400 0.043 0.000 0.801 78 E CB -1.210 28.512 29.700 0.037 0.000 0.743 78 E HN 0.253 nan 8.360 nan 0.000 0.453 79 F N 1.649 121.553 119.950 -0.076 0.000 2.113 79 F HA -0.160 4.367 4.527 0.000 0.000 0.297 79 F C 2.095 177.852 175.800 -0.073 0.000 1.103 79 F CA 1.598 59.532 58.000 -0.110 0.000 1.248 79 F CB -0.232 38.690 39.000 -0.130 0.000 0.999 79 F HN -0.069 nan 8.300 nan 0.000 0.475 80 Q N 0.262 120.069 119.800 0.011 0.000 2.077 80 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 80 Q C 2.309 178.230 176.000 -0.133 0.000 0.989 80 Q CA 2.174 57.933 55.803 -0.074 0.000 0.853 80 Q CB -0.383 28.380 28.738 0.042 0.000 0.907 80 Q HN 0.446 nan 8.270 nan 0.000 0.418 81 K N 0.492 120.844 120.400 -0.081 0.000 2.001 81 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 81 K C 2.169 178.701 176.600 -0.112 0.000 1.048 81 K CA 1.089 57.332 56.287 -0.073 0.000 0.932 81 K CB -0.210 32.269 32.500 -0.035 0.000 0.715 81 K HN 0.156 nan 8.250 nan 0.000 0.437 82 A N 1.593 124.330 122.820 -0.139 0.000 1.892 82 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 82 A C 2.175 179.636 177.584 -0.204 0.000 1.188 82 A CA 1.966 53.911 52.037 -0.152 0.000 0.631 82 A CB -0.535 18.368 19.000 -0.162 0.000 0.822 82 A HN 0.352 nan 8.150 nan 0.000 0.447 83 M N -0.593 118.788 119.600 -0.366 0.000 2.117 83 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 83 M C 2.322 178.505 176.300 -0.194 0.000 1.065 83 M CA 1.451 56.529 55.300 -0.369 0.000 1.114 83 M CB -2.012 30.196 32.600 -0.653 0.000 1.361 83 M HN 0.490 nan 8.290 nan 0.000 0.408 84 G N -0.004 108.700 108.800 -0.161 0.000 2.421 84 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 84 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 84 G C 1.494 176.356 174.900 -0.064 0.000 1.171 84 G CA 0.757 45.801 45.100 -0.093 0.000 0.775 84 G HN 0.534 nan 8.290 nan 0.000 0.543 85 E N -0.239 119.925 120.200 -0.060 0.000 2.106 85 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 85 E C 2.369 178.958 176.600 -0.019 0.000 0.984 85 E CA 0.607 56.986 56.400 -0.034 0.000 0.806 85 E CB -0.153 29.530 29.700 -0.028 0.000 0.750 85 E HN 0.349 nan 8.360 nan 0.000 0.458 86 L N 1.020 122.231 121.223 -0.020 0.000 2.046 86 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 86 L C 1.924 178.805 176.870 0.019 0.000 1.077 86 L CA 1.661 56.515 54.840 0.024 0.000 0.747 86 L CB -0.126 41.960 42.059 0.045 0.000 0.896 86 L HN 0.088 nan 8.230 nan 0.000 0.432 87 I N -1.460 119.105 120.570 -0.009 0.000 2.296 87 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 87 I C 1.978 178.080 176.117 -0.025 0.000 1.087 87 I CA 0.985 62.278 61.300 -0.012 0.000 1.393 87 I CB -0.137 37.849 38.000 -0.023 0.000 1.093 87 I HN 0.145 nan 8.210 nan 0.000 0.421 88 L N 0.110 121.314 121.223 -0.031 0.000 2.529 88 L HA 0.282 4.622 4.340 -0.000 0.000 0.223 88 L C 1.521 178.374 176.870 -0.028 0.000 1.113 88 L CA 0.294 55.113 54.840 -0.034 0.000 0.861 88 L CB -0.574 41.465 42.059 -0.033 0.000 1.012 88 L HN 0.466 nan 8.230 nan 0.000 0.461 89 G N 1.317 110.105 108.800 -0.021 0.000 2.611 89 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.301 89 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.301 89 G C 0.209 175.099 174.900 -0.017 0.000 1.233 89 G CA 0.701 45.791 45.100 -0.016 0.000 0.993 89 G HN 0.359 nan 8.290 nan 0.000 0.553 90 D N 1.682 122.072 120.400 -0.016 0.000 2.363 90 D HA 0.401 5.041 4.640 -0.000 0.000 0.226 90 D C 1.431 177.722 176.300 -0.015 0.000 1.020 90 D CA 1.095 55.087 54.000 -0.014 0.000 0.892 90 D CB -0.065 40.728 40.800 -0.011 0.000 0.900 90 D HN 0.656 nan 8.370 nan 0.000 0.531 96 K N 2.422 122.816 120.400 -0.011 0.000 2.222 96 K HA 0.268 4.588 4.320 -0.000 0.000 0.243 96 K C 1.394 177.991 176.600 -0.005 0.000 1.160 96 K CA 0.449 56.732 56.287 -0.007 0.000 1.090 96 K CB 0.614 33.111 32.500 -0.005 0.000 1.694 96 K HN 0.710 nan 8.250 nan 0.000 0.361 97 S N 1.348 117.044 115.700 -0.006 0.000 2.407 97 S HA -0.272 4.197 4.470 -0.000 0.000 0.235 97 S C 1.737 176.337 174.600 0.000 0.000 1.036 97 S CA 1.531 59.729 58.200 -0.004 0.000 1.013 97 S CB -0.177 63.020 63.200 -0.004 0.000 0.820 97 S HN 0.691 nan 8.310 nan 0.000 0.476 98 E N 0.914 121.115 120.200 0.001 0.000 2.267 98 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 98 E C 1.292 177.894 176.600 0.003 0.000 0.998 98 E CA 1.644 58.046 56.400 0.003 0.000 0.830 98 E CB -0.737 28.964 29.700 0.002 0.000 0.751 98 E HN 0.552 nan 8.360 nan 0.000 0.491 99 T N 0.173 114.729 114.554 0.002 0.000 3.288 99 T HA 0.154 4.504 4.350 -0.000 0.000 0.293 99 T C -0.605 174.098 174.700 0.004 0.000 1.008 99 T CA -0.229 61.873 62.100 0.003 0.000 0.929 99 T CB 0.186 69.055 68.868 0.003 0.000 1.152 99 T HN 0.054 nan 8.240 nan 0.000 0.517 100 T N 1.998 116.554 114.554 0.004 0.000 2.824 100 T HA 0.775 5.125 4.350 -0.000 0.000 0.282 100 T C -0.534 174.171 174.700 0.009 0.000 0.993 100 T CA -0.552 61.550 62.100 0.004 0.000 0.967 100 T CB 1.631 70.497 68.868 -0.003 0.000 0.960 100 T HN 0.273 nan 8.240 nan 0.000 0.441 101 A N 2.724 125.553 122.820 0.014 0.000 2.324 101 A HA 0.825 5.145 4.320 -0.000 0.000 0.330 101 A C 0.019 177.619 177.584 0.026 0.000 1.165 101 A CA -0.651 51.400 52.037 0.023 0.000 0.813 101 A CB 0.819 19.835 19.000 0.027 0.000 1.197 101 A HN 0.724 nan 8.150 nan 0.000 0.484 102 T N 2.638 117.213 114.554 0.035 0.000 2.876 102 T HA 0.623 4.973 4.350 -0.000 0.000 0.289 102 T C -1.097 173.647 174.700 0.074 0.000 1.014 102 T CA -0.454 61.672 62.100 0.043 0.000 0.986 102 T CB 1.305 70.189 68.868 0.026 0.000 1.021 102 T HN 0.558 nan 8.240 nan 0.000 0.458 103 L N 2.449 123.729 121.223 0.094 0.000 2.482 103 L HA 0.692 5.032 4.340 -0.000 0.000 0.269 103 L C -0.608 176.363 176.870 0.168 0.000 0.967 103 L CA -0.789 54.124 54.840 0.121 0.000 0.851 103 L CB 1.290 43.409 42.059 0.099 0.000 1.242 103 L HN 0.884 nan 8.230 nan 0.000 0.404 104 A N 3.433 126.375 122.820 0.203 0.000 2.409 104 A HA 0.595 4.915 4.320 -0.000 0.000 0.267 104 A C 0.397 178.079 177.584 0.163 0.000 1.127 104 A CA 0.118 52.288 52.037 0.222 0.000 0.795 104 A CB 0.233 19.309 19.000 0.126 0.000 1.061 104 A HN 0.771 nan 8.150 nan 0.000 0.502 105 T N -1.390 113.250 114.554 0.143 0.000 2.910 105 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 105 T C -0.361 174.360 174.700 0.035 0.000 1.050 105 T CA -0.693 61.491 62.100 0.140 0.000 1.011 105 T CB 1.044 70.003 68.868 0.153 0.000 1.195 105 T HN 0.516 nan 8.240 nan 0.000 0.540 106 V N 2.221 122.132 119.914 -0.006 0.000 2.229 106 V HA 0.554 4.674 4.120 -0.000 0.000 0.245 106 V C 1.377 177.465 176.094 -0.011 0.000 1.243 106 V CA 0.646 62.891 62.300 -0.092 0.000 1.176 106 V CB -1.133 30.562 31.823 -0.213 0.000 1.323 106 V HN 1.481 nan 8.190 nan 0.000 0.499 107 G N 4.078 112.877 108.800 -0.001 0.000 2.855 107 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.352 107 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.352 107 G C 0.820 175.750 174.900 0.050 0.000 1.415 107 G CA -0.198 44.916 45.100 0.024 0.000 0.871 107 G HN 0.977 nan 8.290 nan 0.000 0.543 108 G N -1.445 107.377 108.800 0.037 0.000 2.422 108 G HA2 0.047 4.007 3.960 -0.000 0.000 0.218 108 G HA3 0.047 4.007 3.960 -0.000 0.000 0.218 108 G C 1.874 176.825 174.900 0.085 0.000 1.146 108 G CA 2.350 47.469 45.100 0.033 0.000 0.769 108 G HN 1.241 nan 8.290 nan 0.000 0.547 109 T N 1.002 115.632 114.554 0.127 0.000 2.720 109 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 109 T C 2.493 177.283 174.700 0.149 0.000 1.037 109 T CA 1.517 63.737 62.100 0.200 0.000 1.144 109 T CB -0.551 68.450 68.868 0.222 0.000 0.864 109 T HN 0.358 nan 8.240 nan 0.000 0.444 110 G N 0.886 109.756 108.800 0.118 0.000 2.432 110 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.219 110 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.219 110 G C 1.791 176.774 174.900 0.137 0.000 1.135 110 G CA 0.874 46.052 45.100 0.130 0.000 0.767 110 G HN 0.584 nan 8.290 nan 0.000 0.550 111 A N 0.433 123.326 122.820 0.122 0.000 1.933 111 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 111 A C 2.414 180.067 177.584 0.115 0.000 1.175 111 A CA 1.140 53.245 52.037 0.114 0.000 0.628 111 A CB -0.313 18.745 19.000 0.096 0.000 0.814 111 A HN 0.363 nan 8.150 nan 0.000 0.444 112 L N -1.232 120.072 121.223 0.134 0.000 2.005 112 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 112 L C 2.744 179.697 176.870 0.138 0.000 1.072 112 L CA 1.693 56.624 54.840 0.152 0.000 0.744 112 L CB -0.457 41.737 42.059 0.225 0.000 0.895 112 L HN 0.396 nan 8.230 nan 0.000 0.433 113 R N 0.381 120.964 120.500 0.137 0.000 2.096 113 R HA -0.241 4.099 4.340 -0.000 0.000 0.240 113 R C 2.234 178.599 176.300 0.109 0.000 1.139 113 R CA 1.774 57.947 56.100 0.122 0.000 0.952 113 R CB -0.560 29.808 30.300 0.113 0.000 0.854 113 R HN 0.187 nan 8.270 nan 0.000 0.436 114 Q N -0.429 119.436 119.800 0.107 0.000 2.124 114 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 114 Q C 1.907 177.957 176.000 0.084 0.000 0.977 114 Q CA 2.048 57.904 55.803 0.089 0.000 0.850 114 Q CB -0.375 28.421 28.738 0.097 0.000 0.901 114 Q HN 0.490 nan 8.270 nan 0.000 0.429 115 A N -0.306 122.568 122.820 0.090 0.000 1.898 115 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 115 A C 1.991 179.622 177.584 0.079 0.000 1.181 115 A CA 1.177 53.262 52.037 0.081 0.000 0.620 115 A CB -0.631 18.419 19.000 0.083 0.000 0.819 115 A HN 0.407 nan 8.150 nan 0.000 0.442 116 L N -0.637 120.638 121.223 0.087 0.000 2.093 116 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 116 L C 2.623 179.539 176.870 0.076 0.000 1.085 116 L CA 1.102 55.992 54.840 0.084 0.000 0.755 116 L CB -0.547 41.570 42.059 0.096 0.000 0.904 116 L HN 0.356 nan 8.230 nan 0.000 0.435 117 E N 0.139 120.386 120.200 0.079 0.000 2.072 117 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 117 E C 2.153 178.794 176.600 0.068 0.000 0.985 117 E CA 1.074 57.517 56.400 0.073 0.000 0.801 117 E CB -0.308 29.436 29.700 0.072 0.000 0.750 117 E HN 0.274 nan 8.360 nan 0.000 0.452 118 L N 1.150 122.414 121.223 0.068 0.000 1.994 118 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 118 L C 2.285 179.186 176.870 0.050 0.000 1.071 118 L CA 2.244 57.121 54.840 0.061 0.000 0.745 118 L CB -0.821 41.274 42.059 0.060 0.000 0.892 118 L HN 0.048 nan 8.230 nan 0.000 0.431 119 A N -0.536 122.315 122.820 0.053 0.000 1.902 119 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 119 A C 2.542 180.152 177.584 0.043 0.000 1.181 119 A CA 1.882 53.947 52.037 0.048 0.000 0.623 119 A CB -0.713 18.320 19.000 0.055 0.000 0.818 119 A HN 0.514 nan 8.150 nan 0.000 0.443 120 R N -0.939 119.589 120.500 0.047 0.000 2.120 120 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 120 R C 2.087 178.406 176.300 0.032 0.000 1.123 120 R CA 1.649 57.772 56.100 0.039 0.000 0.975 120 R CB -0.293 30.031 30.300 0.041 0.000 0.866 120 R HN 0.578 nan 8.270 nan 0.000 0.446 121 M N -0.658 118.963 119.600 0.034 0.000 2.175 121 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 121 M C 2.217 178.524 176.300 0.011 0.000 1.063 121 M CA 1.725 57.039 55.300 0.024 0.000 1.119 121 M CB -0.015 32.602 32.600 0.028 0.000 1.377 121 M HN 0.275 nan 8.290 nan 0.000 0.415 122 A N -0.380 122.450 122.820 0.016 0.000 2.132 122 A HA 0.018 4.338 4.320 -0.000 0.000 0.213 122 A C 0.660 178.253 177.584 0.014 0.000 1.154 122 A CA 0.768 52.811 52.037 0.011 0.000 0.753 122 A CB -0.109 18.900 19.000 0.014 0.000 0.826 122 A HN 0.480 nan 8.150 nan 0.000 0.469 123 N N -1.265 117.448 118.700 0.020 0.000 2.701 123 N HA 0.296 5.036 4.740 -0.000 0.000 0.258 123 N C -2.806 172.718 175.510 0.023 0.000 1.262 123 N CA -1.520 51.543 53.050 0.022 0.000 0.780 123 N CB 1.345 39.850 38.487 0.030 0.000 1.380 123 N HN -0.227 nan 8.380 nan 0.000 0.548 124 P HA -0.033 nan 4.420 nan 0.000 0.218 124 P C -0.341 176.968 177.300 0.016 0.000 1.148 124 P CA 1.176 64.285 63.100 0.014 0.000 0.822 124 P CB 0.243 31.948 31.700 0.008 0.000 0.784 125 D N 0.121 120.532 120.400 0.019 0.000 2.690 125 D HA 0.045 4.685 4.640 -0.000 0.000 0.236 125 D C 0.715 177.034 176.300 0.033 0.000 1.218 125 D CA 0.067 54.080 54.000 0.022 0.000 0.829 125 D CB 0.017 40.829 40.800 0.020 0.000 1.009 125 D HN 0.139 nan 8.370 nan 0.000 0.482 134 F N 4.152 124.170 119.950 0.114 0.000 2.415 134 F HA 0.779 5.306 4.527 -0.000 0.000 0.348 134 F C 0.345 176.293 175.800 0.246 0.000 1.119 134 F CA -0.601 57.519 58.000 0.200 0.000 1.069 134 F CB 1.959 41.111 39.000 0.252 0.000 1.124 134 F HN 0.446 nan 8.300 nan 0.000 0.472 135 V N 0.184 120.244 119.914 0.244 0.000 2.914 135 V HA 0.759 4.878 4.120 -0.000 0.000 0.314 135 V C -0.170 175.646 176.094 -0.463 0.000 1.084 135 V CA -1.152 61.165 62.300 0.027 0.000 0.963 135 V CB 1.378 33.199 31.823 -0.003 0.000 1.025 135 V HN 0.739 nan 8.190 nan 0.000 0.432 136 S N 1.003 116.321 115.700 -0.636 0.000 2.572 136 S HA 0.309 4.779 4.470 -0.000 0.000 0.279 136 S C -0.255 174.159 174.600 -0.310 0.000 1.341 136 S CA -0.011 57.651 58.200 -0.895 0.000 1.043 136 S CB 0.774 63.659 63.200 -0.525 0.000 0.887 136 S HN 1.114 nan 8.310 nan 0.000 0.516 137 D N 2.760 123.053 120.400 -0.180 0.000 2.467 137 D HA 0.477 5.117 4.640 -0.000 0.000 0.220 137 D C -2.030 174.360 176.300 0.150 0.000 1.103 137 D CA -1.820 52.186 54.000 0.010 0.000 0.886 137 D CB 0.939 41.761 40.800 0.036 0.000 1.025 137 D HN 0.362 nan 8.370 nan 0.000 0.514 138 P HA 0.395 nan 4.420 nan 0.000 0.304 138 P C -0.620 176.742 177.300 0.104 0.000 1.310 138 P CA -0.504 62.643 63.100 0.079 0.000 0.796 138 P CB 2.071 33.799 31.700 0.046 0.000 1.297 139 T N -2.305 112.306 114.554 0.095 0.000 2.731 139 T HA 0.334 4.684 4.350 -0.000 0.000 0.300 139 T C -1.846 172.994 174.700 0.234 0.000 1.283 139 T CA -0.462 61.750 62.100 0.187 0.000 1.005 139 T CB 0.151 69.217 68.868 0.330 0.000 1.420 139 T HN 0.310 nan 8.240 nan 0.000 0.503 140 W N 4.757 126.128 121.300 0.119 0.000 2.591 140 W HA 0.268 4.928 4.660 0.000 0.000 0.330 140 W C -1.526 174.925 176.519 -0.115 0.000 1.435 140 W CA -1.843 55.423 57.345 -0.131 0.000 1.350 140 W CB 0.401 29.593 29.460 -0.446 0.000 1.434 140 W HN 0.486 nan 8.180 nan 0.000 0.553 141 P HA -0.313 nan 4.420 nan 0.000 0.217 141 P C 0.763 177.834 177.300 -0.382 0.000 1.151 141 P CA 2.308 65.260 63.100 -0.247 0.000 0.849 141 P CB 0.257 31.807 31.700 -0.250 0.000 0.787 142 N N -1.139 117.052 118.700 -0.849 0.000 2.348 142 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 142 N C 1.733 177.008 175.510 -0.393 0.000 1.019 142 N CA 0.880 53.417 53.050 -0.855 0.000 0.880 142 N CB -0.793 36.657 38.487 -1.728 0.000 0.965 142 N HN 0.463 nan 8.380 nan 0.000 0.437 143 H N -0.667 118.307 119.070 -0.159 0.000 2.293 143 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 143 H C 1.860 177.183 175.328 -0.009 0.000 1.082 143 H CA 1.368 57.434 56.048 0.031 0.000 1.308 143 H CB 0.068 29.897 29.762 0.112 0.000 1.375 143 H HN 0.001 nan 8.280 nan 0.000 0.495 144 V N -0.120 119.857 119.914 0.107 0.000 2.427 144 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 144 V C 2.500 178.604 176.094 0.016 0.000 1.051 144 V CA 1.706 64.034 62.300 0.047 0.000 1.048 144 V CB -0.523 31.311 31.823 0.019 0.000 0.666 144 V HN 0.410 nan 8.190 nan 0.000 0.456 145 S N 0.181 115.858 115.700 -0.038 0.000 2.353 145 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 145 S C 1.950 176.562 174.600 0.019 0.000 1.035 145 S CA 2.082 60.255 58.200 -0.045 0.000 1.025 145 S CB -0.369 62.749 63.200 -0.138 0.000 0.902 145 S HN 0.521 nan 8.310 nan 0.000 0.440 146 I N 0.898 121.475 120.570 0.012 0.000 2.179 146 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 146 I C 2.680 178.888 176.117 0.152 0.000 1.088 146 I CA 1.685 63.033 61.300 0.080 0.000 1.357 146 I CB -0.404 37.639 38.000 0.072 0.000 1.051 146 I HN 0.366 nan 8.210 nan 0.000 0.409 147 M N 0.325 119.992 119.600 0.111 0.000 2.149 147 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 147 M C 1.911 178.260 176.300 0.082 0.000 1.064 147 M CA 2.125 57.480 55.300 0.093 0.000 1.102 147 M CB -0.678 31.962 32.600 0.068 0.000 1.369 147 M HN 0.281 nan 8.290 nan 0.000 0.408 148 N N -0.274 118.474 118.700 0.081 0.000 2.084 148 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 148 N C 1.610 177.176 175.510 0.093 0.000 1.030 148 N CA 1.202 54.291 53.050 0.065 0.000 0.849 148 N CB -0.242 38.277 38.487 0.054 0.000 1.012 148 N HN 0.175 nan 8.380 nan 0.000 0.423 149 F N 1.836 121.781 119.950 -0.009 0.000 2.065 149 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 149 F C 2.119 177.919 175.800 0.000 0.000 1.112 149 F CA 1.536 59.532 58.000 -0.007 0.000 1.212 149 F CB -0.235 38.760 39.000 -0.007 0.000 0.975 149 F HN -0.008 nan 8.300 nan 0.000 0.476 150 M N -0.360 119.278 119.600 0.063 0.000 2.374 150 M HA 0.065 4.545 4.480 -0.000 0.000 0.264 150 M C 1.493 177.747 176.300 -0.077 0.000 1.067 150 M CA 1.262 56.537 55.300 -0.042 0.000 1.103 150 M CB -0.676 31.970 32.600 0.077 0.000 1.402 150 M HN 0.426 nan 8.290 nan 0.000 0.444 151 G N 1.068 109.840 108.800 -0.047 0.000 2.149 151 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 151 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 151 G C -0.279 174.609 174.900 -0.019 0.000 1.018 151 G CA -0.406 44.667 45.100 -0.045 0.000 0.728 151 G HN 0.228 nan 8.290 nan 0.000 0.508 155 V N 2.683 122.554 119.914 -0.072 0.000 2.459 155 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 155 V C -0.122 175.876 176.094 -0.160 0.000 1.029 155 V CA -0.438 61.805 62.300 -0.094 0.000 0.874 155 V CB 1.776 33.575 31.823 -0.041 0.000 0.985 155 V HN 0.485 nan 8.190 nan 0.000 0.438 156 Q N 1.879 121.508 119.800 -0.285 0.000 2.399 156 Q HA 0.720 5.060 4.340 -0.000 0.000 0.276 156 Q C -0.462 175.422 176.000 -0.192 0.000 1.098 156 Q CA -0.763 54.828 55.803 -0.354 0.000 0.827 156 Q CB 2.810 31.064 28.738 -0.808 0.000 1.386 156 Q HN 0.898 nan 8.270 nan 0.000 0.443 157 T N -1.767 112.749 114.554 -0.063 0.000 2.924 157 T HA 0.702 5.052 4.350 -0.000 0.000 0.291 157 T C -0.968 173.855 174.700 0.205 0.000 1.045 157 T CA -0.700 61.415 62.100 0.025 0.000 1.015 157 T CB 0.857 69.712 68.868 -0.023 0.000 1.103 157 T HN 0.535 nan 8.240 nan 0.000 0.496 158 Y N -1.079 119.341 120.300 0.200 0.000 2.499 158 Y HA 0.759 5.309 4.550 -0.000 0.000 0.347 158 Y C -0.005 176.002 175.900 0.177 0.000 0.987 158 Y CA -1.693 56.528 58.100 0.201 0.000 1.044 158 Y CB 1.175 39.769 38.460 0.222 0.000 1.245 158 Y HN 0.663 nan 8.280 nan 0.000 0.461 159 R N 1.844 122.525 120.500 0.301 0.000 2.570 159 R HA 0.094 4.434 4.340 -0.000 0.000 0.277 159 R C -0.858 175.644 176.300 0.337 0.000 1.039 159 R CA 0.610 56.840 56.100 0.217 0.000 1.065 159 R CB 0.264 30.641 30.300 0.129 0.000 0.964 159 R HN 0.967 nan 8.270 nan 0.000 0.428 160 Y N 2.104 122.471 120.300 0.110 0.000 3.189 160 Y HA 0.175 4.725 4.550 0.000 0.000 0.213 160 Y C -0.618 175.331 175.900 0.083 0.000 1.032 160 Y CA -0.411 57.758 58.100 0.115 0.000 1.482 160 Y CB 0.345 38.844 38.460 0.065 0.000 1.460 160 Y HN 0.478 nan 8.280 nan 0.000 0.398 161 F N 3.903 123.897 119.950 0.075 0.000 2.444 161 F HA 0.242 4.769 4.527 -0.000 0.000 0.360 161 F C 0.092 175.864 175.800 -0.046 0.000 1.106 161 F CA -0.843 57.139 58.000 -0.031 0.000 1.170 161 F CB 0.242 39.272 39.000 0.051 0.000 1.113 161 F HN 0.077 nan 8.300 nan 0.000 0.521 162 D N 5.671 125.689 120.400 -0.636 0.000 2.374 162 D HA 0.161 4.801 4.640 -0.000 0.000 0.240 162 D C 0.990 176.821 176.300 -0.781 0.000 1.229 162 D CA 0.277 53.971 54.000 -0.511 0.000 0.895 162 D CB 1.463 42.039 40.800 -0.373 0.000 1.046 162 D HN 0.787 nan 8.370 nan 0.000 0.498 163 A N 4.192 126.740 122.820 -0.453 0.000 1.986 163 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 163 A C 1.952 179.370 177.584 -0.277 0.000 1.171 163 A CA 1.604 53.468 52.037 -0.289 0.000 0.640 163 A CB -0.175 18.800 19.000 -0.043 0.000 0.811 163 A HN 0.655 nan 8.150 nan 0.000 0.451 164 E N -0.755 119.296 120.200 -0.248 0.000 2.021 164 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 164 E C 2.065 178.530 176.600 -0.225 0.000 0.980 164 E CA 1.719 58.005 56.400 -0.190 0.000 0.803 164 E CB -0.061 29.558 29.700 -0.134 0.000 0.766 164 E HN 0.687 nan 8.360 nan 0.000 0.449 165 T N -2.191 112.213 114.554 -0.250 0.000 3.129 165 T HA 0.153 4.503 4.350 -0.000 0.000 0.251 165 T C 0.686 175.229 174.700 -0.262 0.000 1.117 165 T CA 0.298 62.275 62.100 -0.206 0.000 1.034 165 T CB -0.001 68.775 68.868 -0.153 0.000 0.968 165 T HN 0.104 nan 8.240 nan 0.000 0.526 166 R N 0.088 120.300 120.500 -0.480 0.000 3.946 166 R HA -0.117 4.223 4.340 -0.000 0.000 0.329 166 R C 0.776 176.977 176.300 -0.165 0.000 1.209 166 R CA 0.875 56.683 56.100 -0.487 0.000 0.909 166 R CB -1.985 28.018 30.300 -0.495 0.000 1.355 166 R HN 0.740 nan 8.270 nan 0.000 0.539 167 G N -1.699 106.915 108.800 -0.310 0.000 2.890 167 G HA2 0.604 4.564 3.960 -0.000 0.000 0.189 167 G HA3 0.604 4.564 3.960 -0.000 0.000 0.189 167 G C -0.837 173.895 174.900 -0.280 0.000 1.342 167 G CA -0.150 44.865 45.100 -0.141 0.000 1.026 167 G HN 0.046 nan 8.290 nan 0.000 0.579 168 V N 0.869 120.630 119.914 -0.255 0.000 2.435 168 V HA 0.261 4.381 4.120 -0.000 0.000 0.290 168 V C -0.636 175.329 176.094 -0.214 0.000 1.030 168 V CA -0.468 61.612 62.300 -0.367 0.000 0.881 168 V CB 1.607 33.135 31.823 -0.491 0.000 0.983 168 V HN 0.682 nan 8.190 nan 0.000 0.445 169 D N 3.480 123.767 120.400 -0.189 0.000 2.608 169 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 169 D C 0.873 177.168 176.300 -0.008 0.000 1.123 169 D CA -0.173 53.777 54.000 -0.083 0.000 1.030 169 D CB -0.093 40.667 40.800 -0.067 0.000 1.093 169 D HN 0.408 nan 8.370 nan 0.000 0.497 170 F N 1.791 121.649 119.950 -0.154 0.000 2.161 170 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 170 F C 1.878 177.633 175.800 -0.076 0.000 1.089 170 F CA 1.334 59.258 58.000 -0.126 0.000 1.282 170 F CB 0.116 39.040 39.000 -0.127 0.000 1.010 170 F HN 0.246 nan 8.300 nan 0.000 0.485 171 E N -0.214 119.937 120.200 -0.081 0.000 2.051 171 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 171 E C 2.535 179.049 176.600 -0.144 0.000 0.991 171 E CA 1.413 57.729 56.400 -0.140 0.000 0.799 171 E CB -1.090 28.578 29.700 -0.054 0.000 0.748 171 E HN 0.426 nan 8.360 nan 0.000 0.449 172 G N 0.383 109.136 108.800 -0.078 0.000 2.418 172 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 172 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 172 G C 1.633 176.517 174.900 -0.027 0.000 1.158 172 G CA 0.985 46.065 45.100 -0.033 0.000 0.771 172 G HN 0.272 nan 8.290 nan 0.000 0.545 173 M N 0.248 119.823 119.600 -0.041 0.000 2.080 173 M HA -0.050 4.430 4.480 -0.000 0.000 0.260 173 M C 2.535 178.712 176.300 -0.205 0.000 1.068 173 M CA 1.788 57.079 55.300 -0.016 0.000 1.109 173 M CB -0.160 32.453 32.600 0.021 0.000 1.342 173 M HN 0.105 nan 8.290 nan 0.000 0.405 174 K N 0.083 120.242 120.400 -0.402 0.000 2.147 174 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 174 K C 1.995 178.460 176.600 -0.226 0.000 1.049 174 K CA 1.302 57.346 56.287 -0.404 0.000 0.936 174 K CB -0.279 31.892 32.500 -0.549 0.000 0.722 174 K HN 0.487 nan 8.250 nan 0.000 0.446 175 A N 2.022 124.746 122.820 -0.159 0.000 1.855 175 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 175 A C 1.668 179.226 177.584 -0.043 0.000 1.191 175 A CA 1.790 53.776 52.037 -0.085 0.000 0.613 175 A CB -0.360 18.609 19.000 -0.053 0.000 0.829 175 A HN 0.160 nan 8.150 nan 0.000 0.442 176 D N 0.167 120.566 120.400 -0.001 0.000 2.117 176 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 176 D C 1.971 178.271 176.300 -0.000 0.000 0.982 176 D CA 0.894 54.943 54.000 0.081 0.000 0.828 176 D CB -0.389 40.535 40.800 0.207 0.000 0.967 176 D HN 0.409 nan 8.370 nan 0.000 0.464 177 L N 0.804 121.945 121.223 -0.137 0.000 2.131 177 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 177 L C 2.382 179.087 176.870 -0.275 0.000 1.092 177 L CA 0.826 55.474 54.840 -0.320 0.000 0.759 177 L CB -0.413 41.422 42.059 -0.373 0.000 0.903 177 L HN -0.021 nan 8.230 nan 0.000 0.435 178 A N -0.137 122.581 122.820 -0.171 0.000 2.125 178 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 178 A C 2.293 179.821 177.584 -0.094 0.000 1.156 178 A CA 1.404 53.366 52.037 -0.125 0.000 0.671 178 A CB -0.389 18.555 19.000 -0.093 0.000 0.794 178 A HN 0.402 nan 8.150 nan 0.000 0.459 179 A N -0.759 122.015 122.820 -0.075 0.000 2.218 179 A HA 0.608 4.928 4.320 -0.000 0.000 0.209 179 A C 1.294 178.879 177.584 0.002 0.000 1.168 179 A CA 0.600 52.638 52.037 0.003 0.000 0.804 179 A CB -0.598 18.458 19.000 0.093 0.000 0.834 179 A HN 0.880 nan 8.150 nan 0.000 0.482 180 A N 0.611 123.301 122.820 -0.217 0.000 2.462 180 A HA 0.439 4.759 4.320 -0.000 0.000 0.243 180 A C 0.410 177.948 177.584 -0.077 0.000 1.076 180 A CA 0.033 51.891 52.037 -0.298 0.000 0.773 180 A CB 0.160 18.710 19.000 -0.750 0.000 1.010 180 A HN 0.452 nan 8.150 nan 0.000 0.493 181 K N 1.048 121.469 120.400 0.035 0.000 2.132 181 K HA 0.271 4.591 4.320 -0.000 0.000 0.241 181 K C -0.009 176.604 176.600 0.021 0.000 1.000 181 K CA -1.005 55.302 56.287 0.033 0.000 0.911 181 K CB 0.753 33.292 32.500 0.065 0.000 1.093 181 K HN 0.582 nan 8.250 nan 0.000 0.460 182 K N 0.760 121.170 120.400 0.016 0.000 2.451 182 K HA -0.011 4.309 4.320 -0.000 0.000 0.280 182 K C 0.667 177.284 176.600 0.030 0.000 1.020 182 K CA 1.306 57.601 56.287 0.014 0.000 1.008 182 K CB 0.398 32.905 32.500 0.011 0.000 0.917 182 K HN 0.869 nan 8.250 nan 0.000 0.478 183 G N 3.541 112.360 108.800 0.031 0.000 2.213 183 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 183 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 183 G C -0.107 174.832 174.900 0.065 0.000 0.991 183 G CA 0.137 45.262 45.100 0.043 0.000 0.629 183 G HN 0.628 nan 8.290 nan 0.000 0.517 184 D N 0.309 120.758 120.400 0.082 0.000 2.344 184 D HA 0.559 5.199 4.640 -0.000 0.000 0.244 184 D C 0.585 176.957 176.300 0.121 0.000 1.134 184 D CA 0.092 54.178 54.000 0.145 0.000 0.930 184 D CB 1.016 41.953 40.800 0.227 0.000 1.175 184 D HN 0.358 nan 8.370 nan 0.000 0.437 185 M N 1.386 121.093 119.600 0.177 0.000 2.311 185 M HA 0.409 4.889 4.480 -0.000 0.000 0.325 185 M C -1.714 174.707 176.300 0.202 0.000 1.061 185 M CA -0.750 54.635 55.300 0.143 0.000 0.957 185 M CB 1.429 34.101 32.600 0.120 0.000 1.646 185 M HN -0.014 nan 8.290 nan 0.000 0.434 186 V N 5.795 125.784 119.914 0.125 0.000 2.384 186 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 186 V C -0.753 175.432 176.094 0.151 0.000 1.020 186 V CA -0.865 61.520 62.300 0.142 0.000 0.850 186 V CB 1.436 33.242 31.823 -0.029 0.000 0.987 186 V HN 0.741 nan 8.190 nan 0.000 0.436 187 L N 7.331 128.675 121.223 0.202 0.000 2.255 187 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 187 L C -0.759 176.223 176.870 0.185 0.000 1.046 187 L CA 0.212 55.116 54.840 0.106 0.000 0.816 187 L CB 0.501 42.527 42.059 -0.055 0.000 1.197 187 L HN 0.355 nan 8.230 nan 0.000 0.427 188 L N 5.000 126.339 121.223 0.194 0.000 2.334 188 L HA 0.445 4.784 4.340 -0.000 0.000 0.276 188 L C 0.193 177.244 176.870 0.302 0.000 1.014 188 L CA -0.413 54.623 54.840 0.327 0.000 0.815 188 L CB 1.385 43.704 42.059 0.433 0.000 1.268 188 L HN 0.566 nan 8.230 nan 0.000 0.428 189 H N 1.742 120.985 119.070 0.288 0.000 2.620 189 H HA 0.109 4.665 4.556 -0.000 0.000 0.313 189 H C 0.980 176.549 175.328 0.403 0.000 1.075 189 H CA 0.163 56.377 56.048 0.276 0.000 1.397 189 H CB 1.564 31.466 29.762 0.232 0.000 1.446 189 H HN 0.878 nan 8.280 nan 0.000 0.493 190 G N 2.901 111.937 108.800 0.393 0.000 2.442 190 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 190 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 190 G C 0.619 175.751 174.900 0.387 0.000 1.141 190 G CA 1.179 46.472 45.100 0.322 0.000 0.763 190 G HN 0.797 nan 8.290 nan 0.000 0.554 191 C N -5.434 114.100 119.300 0.390 0.000 3.211 191 C HA 0.431 4.891 4.460 -0.000 0.000 0.350 191 C C 0.474 175.667 174.990 0.339 0.000 1.413 191 C CA -1.023 58.209 59.018 0.357 0.000 1.203 191 C CB 0.388 28.284 27.740 0.260 0.000 1.506 191 C HN 0.870 nan 8.230 nan 0.000 0.448 192 C N 1.960 121.417 119.300 0.261 0.000 3.563 192 C HA -0.127 4.333 4.460 -0.000 0.000 0.284 192 C C 0.613 175.727 174.990 0.206 0.000 1.356 192 C CA 1.196 60.313 59.018 0.166 0.000 2.166 192 C CB -3.318 24.469 27.740 0.078 0.000 1.399 192 C HN 1.224 nan 8.230 nan 0.000 0.583 193 H N 2.079 121.212 119.070 0.105 0.000 3.187 193 H HA 0.040 4.596 4.556 -0.000 0.000 0.286 193 H C 0.556 175.861 175.328 -0.039 0.000 0.944 193 H CA 1.063 57.073 56.048 -0.064 0.000 1.429 193 H CB 0.418 30.105 29.762 -0.124 0.000 1.483 193 H HN 0.698 nan 8.280 nan 0.000 0.555 194 N N 7.271 125.820 118.700 -0.251 0.000 2.434 194 N HA 0.110 4.850 4.740 -0.000 0.000 0.272 194 N C -1.932 173.374 175.510 -0.340 0.000 1.040 194 N CA -2.214 50.778 53.050 -0.097 0.000 0.956 194 N CB 1.543 40.052 38.487 0.035 0.000 1.108 194 N HN 0.386 nan 8.380 nan 0.000 0.481 195 P HA 0.039 nan 4.420 nan 0.000 0.252 195 P C 0.937 178.205 177.300 -0.054 0.000 1.218 195 P CA 0.532 63.537 63.100 -0.158 0.000 0.807 195 P CB 0.271 31.867 31.700 -0.173 0.000 1.072 196 T N -3.042 111.501 114.554 -0.018 0.000 2.708 196 T HA 0.041 4.391 4.350 -0.000 0.000 0.266 196 T C 1.842 176.416 174.700 -0.211 0.000 1.037 196 T CA 1.910 63.865 62.100 -0.242 0.000 1.146 196 T CB -1.450 67.150 68.868 -0.447 0.000 0.865 196 T HN 0.213 nan 8.240 nan 0.000 0.435 197 G N 1.362 110.134 108.800 -0.047 0.000 2.175 197 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.244 197 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.244 197 G C 0.246 174.986 174.900 -0.266 0.000 0.982 197 G CA 0.048 45.074 45.100 -0.124 0.000 0.641 197 G HN 1.316 nan 8.290 nan 0.000 0.527 198 A N 0.430 123.101 122.820 -0.247 0.000 2.320 198 A HA 0.671 4.991 4.320 -0.000 0.000 0.287 198 A C 0.200 177.822 177.584 0.062 0.000 1.181 198 A CA -0.157 51.835 52.037 -0.075 0.000 0.831 198 A CB 0.317 19.363 19.000 0.077 0.000 1.102 198 A HN 0.380 nan 8.150 nan 0.000 0.513 199 N N 1.795 120.540 118.700 0.076 0.000 2.265 199 N HA 0.454 5.194 4.740 -0.000 0.000 0.300 199 N C -0.964 174.569 175.510 0.038 0.000 1.148 199 N CA -0.558 52.577 53.050 0.141 0.000 0.772 199 N CB 1.644 40.248 38.487 0.196 0.000 1.434 199 N HN 0.549 nan 8.380 nan 0.000 0.481 200 L N 0.906 122.139 121.223 0.017 0.000 2.417 200 L HA 0.251 4.591 4.340 -0.000 0.000 0.268 200 L C 1.541 178.398 176.870 -0.021 0.000 1.158 200 L CA -0.338 54.395 54.840 -0.179 0.000 0.819 200 L CB 0.485 42.226 42.059 -0.530 0.000 1.112 200 L HN 0.640 nan 8.230 nan 0.000 0.458 201 T N -1.034 113.463 114.554 -0.094 0.000 2.824 201 T HA 0.180 4.530 4.350 -0.000 0.000 0.277 201 T C 0.826 175.625 174.700 0.164 0.000 0.975 201 T CA -0.746 61.373 62.100 0.033 0.000 0.966 201 T CB 1.053 69.893 68.868 -0.047 0.000 1.054 201 T HN 0.441 nan 8.240 nan 0.000 0.533 202 L N 0.485 121.821 121.223 0.188 0.000 2.201 202 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 202 L C 2.045 179.017 176.870 0.169 0.000 1.105 202 L CA 1.756 56.735 54.840 0.232 0.000 0.775 202 L CB -0.995 41.134 42.059 0.116 0.000 0.913 202 L HN 0.719 nan 8.230 nan 0.000 0.440 203 D N -1.140 119.295 120.400 0.058 0.000 2.117 203 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 203 D C 1.930 178.217 176.300 -0.023 0.000 0.982 203 D CA 1.240 55.250 54.000 0.017 0.000 0.828 203 D CB 0.057 40.840 40.800 -0.027 0.000 0.967 203 D HN 0.551 nan 8.370 nan 0.000 0.464 204 Q N -0.232 119.446 119.800 -0.203 0.000 2.119 204 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 204 Q C 2.071 178.030 176.000 -0.067 0.000 0.972 204 Q CA 0.990 56.486 55.803 -0.513 0.000 0.847 204 Q CB -0.137 27.909 28.738 -1.154 0.000 0.903 204 Q HN 0.417 nan 8.270 nan 0.000 0.433 205 W N 0.636 121.929 121.300 -0.013 0.000 2.363 205 W HA -0.185 4.475 4.660 -0.000 0.000 0.296 205 W C 2.511 179.075 176.519 0.074 0.000 1.212 205 W CA 1.064 58.447 57.345 0.064 0.000 1.260 205 W CB -0.103 29.384 29.460 0.045 0.000 1.131 205 W HN 0.170 nan 8.180 nan 0.000 0.530 206 A N 0.171 123.169 122.820 0.297 0.000 1.902 206 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 206 A C 1.735 179.424 177.584 0.175 0.000 1.181 206 A CA 1.866 54.020 52.037 0.195 0.000 0.623 206 A CB -0.768 18.310 19.000 0.130 0.000 0.818 206 A HN 0.373 nan 8.150 nan 0.000 0.443 207 E N -0.371 119.947 120.200 0.196 0.000 2.077 207 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 207 E C 1.892 178.584 176.600 0.154 0.000 0.989 207 E CA 1.064 57.580 56.400 0.193 0.000 0.800 207 E CB -0.241 29.652 29.700 0.321 0.000 0.746 207 E HN 0.508 nan 8.360 nan 0.000 0.452 208 I N 1.261 121.951 120.570 0.200 0.000 2.208 208 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 208 I C 2.495 178.672 176.117 0.100 0.000 1.097 208 I CA 1.170 62.530 61.300 0.100 0.000 1.363 208 I CB -1.416 36.630 38.000 0.078 0.000 1.051 208 I HN 0.025 nan 8.210 nan 0.000 0.413 209 A N 0.199 123.119 122.820 0.166 0.000 1.933 209 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 209 A C 2.579 180.204 177.584 0.069 0.000 1.175 209 A CA 2.023 54.138 52.037 0.130 0.000 0.628 209 A CB -0.663 18.424 19.000 0.144 0.000 0.814 209 A HN 0.435 nan 8.150 nan 0.000 0.444 210 S N -0.046 115.692 115.700 0.063 0.000 2.356 210 S HA -0.123 4.347 4.470 -0.000 0.000 0.223 210 S C 1.818 176.421 174.600 0.004 0.000 1.032 210 S CA 1.510 59.729 58.200 0.033 0.000 1.005 210 S CB -0.500 62.721 63.200 0.035 0.000 0.867 210 S HN 0.568 nan 8.310 nan 0.000 0.449 211 I N 1.532 122.094 120.570 -0.014 0.000 2.142 211 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 211 I C 2.171 178.255 176.117 -0.055 0.000 1.078 211 I CA 1.178 62.445 61.300 -0.054 0.000 1.343 211 I CB -0.554 37.385 38.000 -0.101 0.000 1.046 211 I HN 0.221 nan 8.210 nan 0.000 0.405 212 L N 0.405 121.604 121.223 -0.041 0.000 2.013 212 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 212 L C 2.684 179.542 176.870 -0.020 0.000 1.073 212 L CA 1.753 56.571 54.840 -0.036 0.000 0.753 212 L CB -0.739 41.320 42.059 0.000 0.000 0.890 212 L HN 0.348 nan 8.230 nan 0.000 0.432 213 E N 0.670 120.869 120.200 -0.002 0.000 2.085 213 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 213 E C 2.227 178.823 176.600 -0.008 0.000 0.994 213 E CA 1.647 58.048 56.400 0.002 0.000 0.801 213 E CB 0.050 29.757 29.700 0.011 0.000 0.743 213 E HN 0.340 nan 8.360 nan 0.000 0.453 214 K N -0.166 120.225 120.400 -0.015 0.000 2.155 214 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 214 K C 2.039 178.622 176.600 -0.027 0.000 1.052 214 K CA 1.708 57.983 56.287 -0.019 0.000 0.948 214 K CB -0.029 32.457 32.500 -0.023 0.000 0.728 214 K HN 0.204 nan 8.250 nan 0.000 0.448 215 T N -3.478 111.051 114.554 -0.041 0.000 3.054 215 T HA 0.153 4.503 4.350 -0.000 0.000 0.259 215 T C 1.339 176.018 174.700 -0.035 0.000 1.092 215 T CA 0.499 62.569 62.100 -0.050 0.000 1.121 215 T CB 0.069 68.881 68.868 -0.093 0.000 0.912 215 T HN 0.346 nan 8.240 nan 0.000 0.489 216 G N 1.500 110.284 108.800 -0.025 0.000 2.160 216 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.251 216 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.251 216 G C 0.151 175.045 174.900 -0.011 0.000 1.008 216 G CA -0.088 45.005 45.100 -0.011 0.000 0.724 216 G HN 1.182 nan 8.290 nan 0.000 0.514 217 A N -0.332 122.470 122.820 -0.029 0.000 2.328 217 A HA 0.741 5.061 4.320 -0.000 0.000 0.284 217 A C 0.344 177.927 177.584 -0.002 0.000 1.160 217 A CA -0.376 51.644 52.037 -0.028 0.000 0.818 217 A CB 0.964 19.907 19.000 -0.095 0.000 1.087 217 A HN 1.504 nan 8.150 nan 0.000 0.504 218 L N 5.020 126.256 121.223 0.022 0.000 2.369 218 L HA 0.426 4.766 4.340 -0.000 0.000 0.279 218 L C -2.362 174.536 176.870 0.046 0.000 1.108 218 L CA -1.635 53.226 54.840 0.035 0.000 0.852 218 L CB 0.466 42.551 42.059 0.043 0.000 1.169 218 L HN 0.326 nan 8.230 nan 0.000 0.452 219 P HA 0.246 nan 4.420 nan 0.000 0.287 219 P C -1.373 175.973 177.300 0.077 0.000 1.281 219 P CA -0.370 62.774 63.100 0.074 0.000 0.781 219 P CB 1.173 32.926 31.700 0.089 0.000 0.903 220 L N 5.570 126.845 121.223 0.086 0.000 2.319 220 L HA 0.494 4.833 4.340 -0.000 0.000 0.281 220 L C -1.110 175.810 176.870 0.082 0.000 1.005 220 L CA -0.417 54.467 54.840 0.073 0.000 0.828 220 L CB 0.388 42.484 42.059 0.062 0.000 1.227 220 L HN 0.249 nan 8.230 nan 0.000 0.415 221 I N 4.475 125.093 120.570 0.080 0.000 2.321 221 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 221 I C -0.485 175.670 176.117 0.063 0.000 0.998 221 I CA -0.464 60.894 61.300 0.097 0.000 1.227 221 I CB 1.446 39.499 38.000 0.089 0.000 1.368 221 I HN 0.540 nan 8.210 nan 0.000 0.466 222 D N 7.607 128.033 120.400 0.043 0.000 2.428 222 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 222 D C -1.047 175.281 176.300 0.046 0.000 1.123 222 D CA -0.395 53.615 54.000 0.018 0.000 0.869 222 D CB 1.127 41.904 40.800 -0.038 0.000 1.032 222 D HN 0.210 nan 8.370 nan 0.000 0.506 223 L N 4.097 125.344 121.223 0.041 0.000 2.321 223 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 223 L C 0.458 177.331 176.870 0.005 0.000 1.050 223 L CA -0.205 54.670 54.840 0.060 0.000 0.893 223 L CB 0.896 42.989 42.059 0.056 0.000 1.272 223 L HN 0.446 nan 8.230 nan 0.000 0.435 224 A N 3.809 126.604 122.820 -0.040 0.000 2.382 224 A HA 0.239 4.559 4.320 -0.000 0.000 0.228 224 A C 0.301 177.647 177.584 -0.396 0.000 1.217 224 A CA 0.235 52.116 52.037 -0.261 0.000 0.923 224 A CB 0.081 18.793 19.000 -0.481 0.000 0.979 224 A HN 0.626 nan 8.150 nan 0.000 0.515 225 Y N 0.115 120.472 120.300 0.095 0.000 2.715 225 Y HA 0.287 4.837 4.550 -0.000 0.000 0.255 225 Y C 0.600 176.674 175.900 0.291 0.000 1.139 225 Y CA -0.797 57.412 58.100 0.183 0.000 1.151 225 Y CB 0.103 38.612 38.460 0.081 0.000 1.201 225 Y HN 0.399 nan 8.280 nan 0.000 0.556 226 Q N 1.023 121.000 119.800 0.294 0.000 2.256 226 Q HA 0.302 4.642 4.340 -0.000 0.000 0.281 226 Q C 1.068 177.152 176.000 0.142 0.000 1.162 226 Q CA 1.514 57.436 55.803 0.198 0.000 0.943 226 Q CB -0.122 28.700 28.738 0.141 0.000 1.195 226 Q HN 0.795 nan 8.270 nan 0.000 0.403 227 G N 3.228 112.060 108.800 0.053 0.000 2.380 227 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.197 227 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.197 227 G C 0.149 174.863 174.900 -0.310 0.000 1.001 227 G CA -0.042 44.937 45.100 -0.202 0.000 0.668 227 G HN 0.620 nan 8.290 nan 0.000 0.483 228 F N 1.934 121.879 119.950 -0.007 0.000 2.754 228 F HA 0.372 4.899 4.527 -0.000 0.000 0.297 228 F C 2.411 178.188 175.800 -0.038 0.000 1.122 228 F CA 1.121 59.101 58.000 -0.033 0.000 1.400 228 F CB 0.206 39.203 39.000 -0.006 0.000 1.117 228 F HN 0.315 nan 8.300 nan 0.000 0.587 229 G N -0.339 108.544 108.800 0.138 0.000 2.658 229 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 229 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 229 G C 0.947 175.872 174.900 0.042 0.000 1.319 229 G CA 0.746 45.904 45.100 0.095 0.000 0.885 229 G HN 0.177 nan 8.290 nan 0.000 0.553 230 D N -0.049 120.365 120.400 0.023 0.000 2.520 230 D HA 0.370 5.010 4.640 -0.000 0.000 0.223 230 D C 0.942 177.216 176.300 -0.043 0.000 1.186 230 D CA 0.809 54.807 54.000 -0.004 0.000 0.821 230 D CB 2.020 42.830 40.800 0.016 0.000 1.072 230 D HN 0.577 nan 8.370 nan 0.000 0.518 234 E N 0.862 121.032 120.200 -0.050 0.000 2.107 234 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 234 E C 1.510 178.092 176.600 -0.030 0.000 0.982 234 E CA 1.311 57.692 56.400 -0.033 0.000 0.809 234 E CB 0.193 29.873 29.700 -0.033 0.000 0.756 234 E HN 0.339 nan 8.360 nan 0.000 0.459 235 E N 1.550 121.732 120.200 -0.029 0.000 2.106 235 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 235 E C 1.342 177.941 176.600 -0.001 0.000 0.984 235 E CA 1.171 57.561 56.400 -0.016 0.000 0.806 235 E CB -0.100 29.594 29.700 -0.011 0.000 0.750 235 E HN 0.067 nan 8.360 nan 0.000 0.458 236 D N -0.530 119.875 120.400 0.009 0.000 2.264 236 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 236 D C 1.242 177.551 176.300 0.016 0.000 0.966 236 D CA 1.205 55.230 54.000 0.043 0.000 0.864 236 D CB -0.086 40.757 40.800 0.071 0.000 0.933 236 D HN 0.304 nan 8.370 nan 0.000 0.499 237 A N 0.296 123.106 122.820 -0.017 0.000 2.238 237 A HA 0.373 4.693 4.320 -0.000 0.000 0.210 237 A C 2.150 179.666 177.584 -0.114 0.000 1.179 237 A CA 0.857 52.863 52.037 -0.051 0.000 0.827 237 A CB -0.055 18.927 19.000 -0.029 0.000 0.856 237 A HN 0.140 nan 8.150 nan 0.000 0.488 238 A N 0.297 123.053 122.820 -0.108 0.000 1.884 238 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 238 A C 2.381 179.796 177.584 -0.282 0.000 1.197 238 A CA 2.170 54.124 52.037 -0.138 0.000 0.637 238 A CB -1.432 17.520 19.000 -0.080 0.000 0.827 238 A HN 0.742 nan 8.150 nan 0.000 0.450 239 G N -1.401 107.104 108.800 -0.492 0.000 2.446 239 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 239 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 239 G C 1.586 175.911 174.900 -0.959 0.000 1.168 239 G CA 1.736 46.130 45.100 -1.177 0.000 0.771 239 G HN 0.455 nan 8.290 nan 0.000 0.551 240 T N 0.697 114.884 114.554 -0.613 0.000 2.720 240 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 240 T C 2.474 177.034 174.700 -0.234 0.000 1.037 240 T CA 1.308 63.194 62.100 -0.357 0.000 1.144 240 T CB -0.159 68.598 68.868 -0.184 0.000 0.864 240 T HN 0.291 nan 8.240 nan 0.000 0.444 241 R N 0.367 120.746 120.500 -0.202 0.000 2.096 241 R HA 0.083 4.423 4.340 -0.000 0.000 0.235 241 R C 2.506 178.738 176.300 -0.114 0.000 1.127 241 R CA 0.927 56.951 56.100 -0.126 0.000 0.968 241 R CB -0.559 29.682 30.300 -0.098 0.000 0.861 241 R HN 0.322 nan 8.270 nan 0.000 0.440 242 L N 0.830 121.961 121.223 -0.153 0.000 2.046 242 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 242 L C 2.031 178.871 176.870 -0.050 0.000 1.077 242 L CA 1.215 56.002 54.840 -0.088 0.000 0.747 242 L CB -0.101 41.912 42.059 -0.077 0.000 0.896 242 L HN 0.125 nan 8.230 nan 0.000 0.432 243 I N 0.386 120.904 120.570 -0.086 0.000 2.179 243 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 243 I C 2.804 178.914 176.117 -0.010 0.000 1.088 243 I CA 1.525 62.819 61.300 -0.010 0.000 1.357 243 I CB -1.780 36.217 38.000 -0.005 0.000 1.051 243 I HN 0.334 nan 8.210 nan 0.000 0.409 244 A N 0.990 123.787 122.820 -0.038 0.000 2.019 244 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 244 A C 2.455 180.030 177.584 -0.015 0.000 1.164 244 A CA 2.029 54.052 52.037 -0.024 0.000 0.644 244 A CB -0.656 18.323 19.000 -0.035 0.000 0.805 244 A HN 0.583 nan 8.150 nan 0.000 0.449 245 S N -0.825 114.864 115.700 -0.018 0.000 2.436 245 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 245 S C 1.892 176.493 174.600 0.002 0.000 1.014 245 S CA 0.763 58.958 58.200 -0.010 0.000 0.950 245 S CB -0.128 63.065 63.200 -0.013 0.000 0.784 245 S HN 0.645 nan 8.310 nan 0.000 0.504 246 R N 0.170 120.675 120.500 0.009 0.000 2.056 246 R HA 0.335 4.675 4.340 -0.000 0.000 0.215 246 R C 0.040 176.350 176.300 0.018 0.000 1.205 246 R CA 0.175 56.285 56.100 0.018 0.000 1.020 246 R CB -0.163 30.157 30.300 0.032 0.000 0.911 246 R HN 0.314 nan 8.270 nan 0.000 0.451 247 I N 4.649 125.232 120.570 0.022 0.000 2.505 247 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 247 I C -1.433 174.692 176.117 0.014 0.000 1.104 247 I CA -2.015 59.297 61.300 0.021 0.000 1.387 247 I CB 0.416 38.434 38.000 0.030 0.000 1.404 247 I HN 0.098 nan 8.210 nan 0.000 0.528 248 P HA -0.092 nan 4.420 nan 0.000 0.225 248 P C 0.263 177.569 177.300 0.010 0.000 1.148 248 P CA 1.004 64.110 63.100 0.009 0.000 0.779 248 P CB 0.699 32.404 31.700 0.008 0.000 0.780 249 E N -0.477 119.731 120.200 0.014 0.000 2.274 249 E HA 0.478 4.828 4.350 -0.000 0.000 0.269 249 E C -1.895 174.718 176.600 0.022 0.000 0.891 249 E CA -0.769 55.641 56.400 0.016 0.000 0.784 249 E CB 2.419 32.128 29.700 0.016 0.000 1.225 249 E HN -0.215 nan 8.360 nan 0.000 0.412 250 V N 4.597 124.525 119.914 0.022 0.000 3.048 250 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 250 V C -2.145 173.966 176.094 0.029 0.000 1.214 250 V CA -0.709 61.608 62.300 0.029 0.000 0.984 250 V CB 1.786 33.625 31.823 0.026 0.000 1.054 250 V HN 0.559 nan 8.190 nan 0.000 0.430 251 L N 6.072 127.318 121.223 0.038 0.000 2.329 251 L HA 0.702 5.042 4.340 -0.000 0.000 0.279 251 L C -0.388 176.506 176.870 0.041 0.000 1.014 251 L CA -0.115 54.749 54.840 0.040 0.000 0.814 251 L CB 1.639 43.728 42.059 0.049 0.000 1.257 251 L HN 0.591 nan 8.230 nan 0.000 0.424 252 I N 2.566 123.157 120.570 0.035 0.000 2.478 252 I HA 0.602 4.772 4.170 -0.000 0.000 0.287 252 I C -0.418 175.721 176.117 0.038 0.000 1.042 252 I CA -0.690 60.629 61.300 0.033 0.000 1.067 252 I CB 2.022 40.031 38.000 0.015 0.000 1.233 252 I HN 0.642 nan 8.210 nan 0.000 0.431 253 A N 5.327 128.174 122.820 0.045 0.000 2.273 253 A HA 0.861 5.181 4.320 -0.000 0.000 0.320 253 A C -0.141 177.464 177.584 0.036 0.000 1.358 253 A CA -0.396 51.672 52.037 0.052 0.000 0.910 253 A CB 0.643 19.685 19.000 0.070 0.000 1.159 253 A HN 0.771 nan 8.150 nan 0.000 0.526 254 A N 1.954 124.794 122.820 0.033 0.000 2.325 254 A HA 0.801 5.121 4.320 -0.000 0.000 0.333 254 A C 0.187 177.785 177.584 0.023 0.000 1.155 254 A CA -0.367 51.683 52.037 0.022 0.000 0.814 254 A CB 1.130 20.139 19.000 0.015 0.000 1.206 254 A HN 1.205 nan 8.150 nan 0.000 0.482 255 S N 0.070 115.769 115.700 -0.001 0.000 2.502 255 S HA 0.398 4.868 4.470 -0.000 0.000 0.304 255 S C 0.073 174.689 174.600 0.026 0.000 1.097 255 S CA -0.574 57.616 58.200 -0.016 0.000 1.045 255 S CB 0.838 63.971 63.200 -0.111 0.000 1.019 255 S HN 0.751 nan 8.310 nan 0.000 0.481 256 C N 3.170 122.497 119.300 0.046 0.000 2.906 256 C HA 0.223 4.683 4.460 -0.000 0.000 0.274 256 C C 2.463 177.487 174.990 0.058 0.000 1.257 256 C CA -0.201 58.890 59.018 0.121 0.000 1.695 256 C CB -1.480 26.260 27.740 -0.001 0.000 1.958 256 C HN 0.892 nan 8.230 nan 0.000 0.619 257 S N 2.082 117.742 115.700 -0.066 0.000 2.359 257 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 257 S C 1.871 176.136 174.600 -0.559 0.000 1.035 257 S CA 1.714 59.771 58.200 -0.239 0.000 1.018 257 S CB -0.049 63.084 63.200 -0.112 0.000 0.876 257 S HN 0.663 nan 8.310 nan 0.000 0.448 258 K N 1.773 121.990 120.400 -0.303 0.000 2.078 258 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 258 K C 1.745 178.491 176.600 0.243 0.000 1.043 258 K CA 1.086 57.266 56.287 -0.178 0.000 0.960 258 K CB -0.314 32.056 32.500 -0.216 0.000 0.761 258 K HN 0.390 nan 8.250 nan 0.000 0.448 259 N N 0.095 119.031 118.700 0.394 0.000 2.520 259 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 259 N C 0.759 176.414 175.510 0.241 0.000 1.068 259 N CA 1.201 54.488 53.050 0.396 0.000 0.911 259 N CB -0.227 38.459 38.487 0.331 0.000 0.961 259 N HN 0.145 nan 8.380 nan 0.000 0.446 260 F N -0.943 119.134 119.950 0.211 0.000 2.728 260 F HA 0.406 4.933 4.527 -0.000 0.000 0.314 260 F C 1.589 177.416 175.800 0.045 0.000 1.094 260 F CA 0.107 58.178 58.000 0.119 0.000 1.217 260 F CB 0.465 39.403 39.000 -0.104 0.000 1.056 260 F HN 0.151 nan 8.300 nan 0.000 0.577 261 G N 2.285 111.122 108.800 0.062 0.000 2.249 261 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.273 261 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.273 261 G C 0.484 175.375 174.900 -0.015 0.000 1.036 261 G CA 0.588 45.661 45.100 -0.045 0.000 0.824 261 G HN 0.591 nan 8.290 nan 0.000 0.504 262 I N -3.569 116.935 120.570 -0.110 0.000 3.399 262 I HA 0.423 4.593 4.170 -0.000 0.000 0.345 262 I C 1.568 177.696 176.117 0.019 0.000 1.512 262 I CA -1.240 60.072 61.300 0.020 0.000 1.047 262 I CB -0.393 37.615 38.000 0.014 0.000 1.552 262 I HN 0.033 nan 8.210 nan 0.000 0.494 263 Y N 2.637 122.998 120.300 0.102 0.000 2.062 263 Y HA -0.323 4.227 4.550 -0.000 0.000 0.276 263 Y C 2.848 178.779 175.900 0.053 0.000 1.189 263 Y CA 2.485 60.630 58.100 0.074 0.000 1.130 263 Y CB -0.600 37.908 38.460 0.081 0.000 0.959 263 Y HN 0.445 nan 8.280 nan 0.000 0.499 264 R N 0.315 120.957 120.500 0.237 0.000 2.280 264 R HA -0.055 4.285 4.340 -0.000 0.000 0.207 264 R C 1.316 177.663 176.300 0.078 0.000 1.043 264 R CA 1.178 57.356 56.100 0.130 0.000 1.006 264 R CB -0.330 30.034 30.300 0.108 0.000 0.885 264 R HN 0.276 nan 8.270 nan 0.000 0.467 265 E N 1.330 121.575 120.200 0.074 0.000 2.152 265 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 265 E C -0.091 176.507 176.600 -0.003 0.000 0.983 265 E CA 0.329 56.754 56.400 0.042 0.000 0.818 265 E CB 0.027 29.755 29.700 0.046 0.000 0.758 265 E HN 0.171 nan 8.360 nan 0.000 0.467 266 R N 0.243 120.743 120.500 -0.000 0.000 2.958 266 R HA -0.109 4.231 4.340 -0.000 0.000 0.277 266 R C -0.319 175.943 176.300 -0.063 0.000 0.940 266 R CA 0.842 56.930 56.100 -0.021 0.000 0.664 266 R CB -3.106 27.173 30.300 -0.035 0.000 1.551 266 R HN 0.305 nan 8.270 nan 0.000 0.455 267 T N -1.394 113.124 114.554 -0.061 0.000 2.928 267 T HA 0.796 5.146 4.350 -0.000 0.000 0.296 267 T C 0.202 174.908 174.700 0.009 0.000 1.000 267 T CA 0.369 62.415 62.100 -0.091 0.000 0.989 267 T CB 2.192 70.934 68.868 -0.211 0.000 1.005 267 T HN 0.764 nan 8.240 nan 0.000 0.442 268 G N 1.194 110.045 108.800 0.085 0.000 2.561 268 G HA2 0.710 4.670 3.960 -0.000 0.000 0.310 268 G HA3 0.710 4.670 3.960 -0.000 0.000 0.310 268 G C -0.848 174.195 174.900 0.239 0.000 1.292 268 G CA -0.121 45.071 45.100 0.153 0.000 0.811 268 G HN 1.831 nan 8.290 nan 0.000 0.482 269 C N -1.444 117.955 119.300 0.166 0.000 3.284 269 C HA 0.796 5.256 4.460 -0.000 0.000 0.338 269 C C -1.498 173.547 174.990 0.092 0.000 1.237 269 C CA -0.986 58.132 59.018 0.167 0.000 1.276 269 C CB 0.699 28.552 27.740 0.189 0.000 1.601 269 C HN 1.239 nan 8.230 nan 0.000 0.494 270 L N 2.514 123.793 121.223 0.092 0.000 2.296 270 L HA 0.804 5.144 4.340 -0.000 0.000 0.286 270 L C -0.753 176.147 176.870 0.050 0.000 1.023 270 L CA -0.576 54.305 54.840 0.069 0.000 0.812 270 L CB 1.087 43.194 42.059 0.079 0.000 1.223 270 L HN 0.805 nan 8.230 nan 0.000 0.421 271 L N 5.515 126.757 121.223 0.032 0.000 2.322 271 L HA 0.769 5.109 4.340 -0.000 0.000 0.281 271 L C -0.120 176.764 176.870 0.024 0.000 1.014 271 L CA -0.757 54.094 54.840 0.018 0.000 0.815 271 L CB 1.701 43.759 42.059 -0.001 0.000 1.247 271 L HN 0.779 nan 8.230 nan 0.000 0.421 272 A N 5.142 127.976 122.820 0.023 0.000 2.328 272 A HA 0.551 4.871 4.320 -0.000 0.000 0.318 272 A C -0.557 177.038 177.584 0.017 0.000 1.347 272 A CA -0.510 51.542 52.037 0.024 0.000 0.842 272 A CB 0.415 19.432 19.000 0.029 0.000 1.148 272 A HN 0.496 nan 8.150 nan 0.000 0.499 273 L N 2.387 123.619 121.223 0.014 0.000 2.315 273 L HA 0.277 4.617 4.340 -0.000 0.000 0.283 273 L C -0.014 176.862 176.870 0.011 0.000 1.089 273 L CA 0.267 55.113 54.840 0.009 0.000 0.833 273 L CB 0.030 42.092 42.059 0.005 0.000 1.170 273 L HN 0.725 nan 8.230 nan 0.000 0.442 274 C N 1.678 120.984 119.300 0.009 0.000 2.531 274 C HA 0.641 5.101 4.460 -0.000 0.000 0.369 274 C C 1.641 176.635 174.990 0.007 0.000 1.258 274 C CA -0.531 58.492 59.018 0.009 0.000 1.876 274 C CB 1.514 29.260 27.740 0.009 0.000 2.256 274 C HN 0.918 nan 8.230 nan 0.000 0.510 275 A N -0.051 122.773 122.820 0.007 0.000 2.123 275 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 275 A C 0.182 177.768 177.584 0.004 0.000 1.152 275 A CA 1.320 53.360 52.037 0.005 0.000 0.728 275 A CB -0.451 18.553 19.000 0.005 0.000 0.814 275 A HN 1.018 nan 8.150 nan 0.000 0.464 276 D N -5.052 115.350 120.400 0.004 0.000 2.653 276 D HA 0.505 5.145 4.640 -0.000 0.000 0.258 276 D C 0.461 176.763 176.300 0.003 0.000 1.252 276 D CA -0.073 53.928 54.000 0.003 0.000 0.777 276 D CB 0.738 41.539 40.800 0.002 0.000 1.339 276 D HN 0.010 nan 8.370 nan 0.000 0.422 277 A N 0.682 123.504 122.820 0.003 0.000 1.917 277 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 277 A C 2.216 179.801 177.584 0.003 0.000 1.182 277 A CA 2.936 54.975 52.037 0.003 0.000 0.633 277 A CB -1.403 17.599 19.000 0.003 0.000 0.819 277 A HN 0.862 nan 8.150 nan 0.000 0.448 278 A N -0.831 121.989 122.820 0.001 0.000 1.859 278 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 278 A C 2.331 179.915 177.584 -0.001 0.000 1.198 278 A CA 2.626 54.663 52.037 -0.000 0.000 0.629 278 A CB -1.549 17.450 19.000 -0.002 0.000 0.830 278 A HN 0.486 nan 8.150 nan 0.000 0.446 279 T N -0.566 113.989 114.554 0.000 0.000 2.833 279 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 279 T C 2.064 176.766 174.700 0.004 0.000 1.054 279 T CA 1.251 63.352 62.100 0.001 0.000 1.135 279 T CB -0.271 68.599 68.868 0.003 0.000 0.869 279 T HN 0.398 nan 8.240 nan 0.000 0.466 280 R N 1.204 121.707 120.500 0.005 0.000 2.081 280 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 280 R C 2.178 178.483 176.300 0.009 0.000 1.131 280 R CA 1.535 57.640 56.100 0.009 0.000 0.960 280 R CB -0.425 29.880 30.300 0.008 0.000 0.856 280 R HN 0.271 nan 8.270 nan 0.000 0.436 281 E N 0.651 120.855 120.200 0.006 0.000 2.150 281 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 281 E C 1.994 178.594 176.600 0.001 0.000 0.985 281 E CA 0.563 56.966 56.400 0.006 0.000 0.814 281 E CB -0.236 29.466 29.700 0.003 0.000 0.752 281 E HN 0.273 nan 8.360 nan 0.000 0.466 282 L N -0.531 120.690 121.223 -0.003 0.000 1.988 282 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 282 L C 2.243 179.109 176.870 -0.006 0.000 1.071 282 L CA 1.352 56.185 54.840 -0.011 0.000 0.744 282 L CB -0.468 41.584 42.059 -0.013 0.000 0.893 282 L HN 0.206 nan 8.230 nan 0.000 0.433 283 A N -0.758 122.064 122.820 0.004 0.000 1.883 283 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 283 A C 2.098 179.696 177.584 0.025 0.000 1.186 283 A CA 2.033 54.079 52.037 0.015 0.000 0.624 283 A CB -0.677 18.334 19.000 0.019 0.000 0.822 283 A HN 0.494 nan 8.150 nan 0.000 0.444 284 Q N -0.087 119.727 119.800 0.024 0.000 2.135 284 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 284 Q C 1.923 177.945 176.000 0.037 0.000 0.981 284 Q CA 2.184 58.007 55.803 0.033 0.000 0.856 284 Q CB -0.997 27.758 28.738 0.030 0.000 0.902 284 Q HN 0.525 nan 8.270 nan 0.000 0.425 285 G N -0.178 108.637 108.800 0.024 0.000 2.433 285 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 285 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 285 G C 1.482 176.409 174.900 0.045 0.000 1.186 285 G CA 1.040 46.154 45.100 0.022 0.000 0.779 285 G HN 0.535 nan 8.290 nan 0.000 0.543 286 A N 0.328 123.162 122.820 0.023 0.000 1.972 286 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 286 A C 2.458 180.126 177.584 0.140 0.000 1.169 286 A CA 1.824 53.895 52.037 0.057 0.000 0.635 286 A CB -0.335 18.673 19.000 0.012 0.000 0.810 286 A HN 0.406 nan 8.150 nan 0.000 0.446 287 M N -0.742 118.911 119.600 0.089 0.000 2.132 287 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 287 M C 2.512 178.852 176.300 0.066 0.000 1.065 287 M CA 1.349 56.696 55.300 0.078 0.000 1.122 287 M CB -0.307 32.331 32.600 0.064 0.000 1.365 287 M HN 0.466 nan 8.290 nan 0.000 0.411 288 A N 0.049 122.911 122.820 0.071 0.000 1.873 288 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 288 A C 2.009 179.602 177.584 0.015 0.000 1.186 288 A CA 1.309 53.368 52.037 0.036 0.000 0.616 288 A CB -1.044 17.982 19.000 0.043 0.000 0.823 288 A HN 0.553 nan 8.150 nan 0.000 0.442 289 F N 0.145 120.048 119.950 -0.079 0.000 2.161 289 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 289 F C 1.728 177.457 175.800 -0.118 0.000 1.089 289 F CA 1.584 59.527 58.000 -0.094 0.000 1.282 289 F CB -0.202 38.759 39.000 -0.065 0.000 1.010 289 F HN 0.156 nan 8.300 nan 0.000 0.485 290 L N 0.979 122.183 121.223 -0.032 0.000 2.083 290 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 290 L C 2.086 178.754 176.870 -0.337 0.000 1.083 290 L CA 1.545 56.288 54.840 -0.162 0.000 0.752 290 L CB -1.380 40.681 42.059 0.002 0.000 0.899 290 L HN 0.168 nan 8.230 nan 0.000 0.433 291 N N -0.757 117.757 118.700 -0.310 0.000 2.135 291 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 291 N C 1.978 177.149 175.510 -0.565 0.000 1.027 291 N CA 0.910 53.665 53.050 -0.491 0.000 0.849 291 N CB -0.159 38.204 38.487 -0.207 0.000 1.002 291 N HN 0.231 nan 8.380 nan 0.000 0.425 292 R N 0.783 121.020 120.500 -0.439 0.000 2.096 292 R HA -0.111 4.229 4.340 -0.000 0.000 0.240 292 R C 1.384 177.417 176.300 -0.444 0.000 1.139 292 R CA 1.444 57.281 56.100 -0.438 0.000 0.952 292 R CB 0.039 30.111 30.300 -0.381 0.000 0.854 292 R HN 0.197 nan 8.270 nan 0.000 0.436 293 Q N -0.716 118.753 119.800 -0.552 0.000 2.435 293 Q HA -0.023 4.317 4.340 -0.000 0.000 0.207 293 Q C 1.489 177.280 176.000 -0.349 0.000 0.956 293 Q CA 1.346 56.865 55.803 -0.472 0.000 0.917 293 Q CB 0.465 28.827 28.738 -0.627 0.000 0.997 293 Q HN 0.427 nan 8.270 nan 0.000 0.497 294 T N -0.569 113.721 114.554 -0.441 0.000 3.045 294 T HA 0.014 4.364 4.350 -0.000 0.000 0.239 294 T C 0.563 175.120 174.700 -0.238 0.000 1.008 294 T CA 0.888 62.760 62.100 -0.380 0.000 1.143 294 T CB 0.099 68.638 68.868 -0.549 0.000 0.894 294 T HN 0.450 nan 8.240 nan 0.000 0.451 295 Y N -1.055 119.198 120.300 -0.078 0.000 3.024 295 Y HA 0.667 5.217 4.550 -0.000 0.000 0.283 295 Y C 0.599 176.464 175.900 -0.058 0.000 1.040 295 Y CA -0.553 57.521 58.100 -0.043 0.000 1.283 295 Y CB -0.391 38.064 38.460 -0.008 0.000 1.367 295 Y HN 0.092 nan 8.280 nan 0.000 0.589 296 S N 0.149 115.776 115.700 -0.122 0.000 4.118 296 S HA -0.265 4.205 4.470 -0.000 0.000 0.624 296 S C -0.059 174.462 174.600 -0.132 0.000 1.929 296 S CA 0.994 59.052 58.200 -0.237 0.000 4.219 296 S CB -1.575 61.532 63.200 -0.156 0.000 0.206 296 S HN 0.423 nan 8.310 nan 0.000 0.525 297 F N 5.082 125.111 119.950 0.131 0.000 2.450 297 F HA 0.445 4.972 4.527 -0.000 0.000 0.339 297 F C -1.309 174.640 175.800 0.248 0.000 1.146 297 F CA -0.694 57.409 58.000 0.172 0.000 1.267 297 F CB 0.051 39.139 39.000 0.147 0.000 1.178 297 F HN 0.298 nan 8.300 nan 0.000 0.585 298 P HA 0.206 nan 4.420 nan 0.000 0.290 298 P C -2.662 174.694 177.300 0.094 0.000 1.275 298 P CA -1.823 61.378 63.100 0.168 0.000 0.841 298 P CB 0.648 32.449 31.700 0.168 0.000 1.042 299 P HA -0.012 nan 4.420 nan 0.000 0.264 299 P C 0.283 177.590 177.300 0.011 0.000 1.193 299 P CA 0.122 63.224 63.100 0.004 0.000 0.763 299 P CB 0.475 32.139 31.700 -0.060 0.000 0.810 300 F N 3.283 123.186 119.950 -0.078 0.000 2.219 300 F HA -0.086 4.441 4.527 -0.000 0.000 0.294 300 F C 2.584 178.308 175.800 -0.127 0.000 1.086 300 F CA 1.144 59.077 58.000 -0.113 0.000 1.330 300 F CB -0.559 38.393 39.000 -0.080 0.000 1.047 300 F HN 0.397 nan 8.300 nan 0.000 0.495 301 H N -0.120 118.923 119.070 -0.045 0.000 2.289 301 H HA -0.160 4.396 4.556 -0.000 0.000 0.294 301 H C 2.426 177.569 175.328 -0.308 0.000 1.095 301 H CA 2.337 58.294 56.048 -0.151 0.000 1.256 301 H CB -0.886 28.857 29.762 -0.030 0.000 1.359 301 H HN 0.366 nan 8.280 nan 0.000 0.487 302 G N -0.594 108.054 108.800 -0.254 0.000 2.402 302 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 302 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 302 G C 1.911 176.503 174.900 -0.513 0.000 1.162 302 G CA 0.841 45.746 45.100 -0.324 0.000 0.777 302 G HN 0.623 nan 8.290 nan 0.000 0.539 303 A N 0.686 123.095 122.820 -0.686 0.000 1.940 303 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 303 A C 2.218 179.376 177.584 -0.710 0.000 1.176 303 A CA 2.384 53.800 52.037 -1.035 0.000 0.631 303 A CB -0.349 17.830 19.000 -1.369 0.000 0.814 303 A HN 0.341 nan 8.150 nan 0.000 0.446 304 K N 0.265 120.158 120.400 -0.844 0.000 2.057 304 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 304 K C 1.599 177.908 176.600 -0.486 0.000 1.050 304 K CA 1.480 57.317 56.287 -0.750 0.000 0.935 304 K CB -0.551 31.305 32.500 -1.073 0.000 0.715 304 K HN 0.515 nan 8.250 nan 0.000 0.439 305 I N -0.093 120.166 120.570 -0.517 0.000 2.179 305 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 305 I C 2.003 177.891 176.117 -0.382 0.000 1.088 305 I CA 1.034 62.099 61.300 -0.392 0.000 1.357 305 I CB -0.275 37.508 38.000 -0.363 0.000 1.051 305 I HN -0.069 nan 8.210 nan 0.000 0.409 306 V N 1.025 120.635 119.914 -0.506 0.000 2.255 306 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 306 V C 2.653 178.511 176.094 -0.393 0.000 1.051 306 V CA 2.410 64.279 62.300 -0.720 0.000 1.018 306 V CB -1.014 30.407 31.823 -0.670 0.000 0.641 306 V HN 0.613 nan 8.190 nan 0.000 0.445 307 S N -0.563 115.022 115.700 -0.191 0.000 2.383 307 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 307 S C 1.926 176.455 174.600 -0.118 0.000 1.026 307 S CA 1.840 59.972 58.200 -0.112 0.000 0.981 307 S CB -0.884 62.299 63.200 -0.027 0.000 0.818 307 S HN 0.580 nan 8.310 nan 0.000 0.472 308 T N 2.455 116.922 114.554 -0.144 0.000 2.708 308 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 308 T C 1.919 176.573 174.700 -0.077 0.000 1.037 308 T CA 1.502 63.540 62.100 -0.103 0.000 1.146 308 T CB -0.624 68.173 68.868 -0.119 0.000 0.865 308 T HN 0.297 nan 8.240 nan 0.000 0.435 309 V N 1.295 121.149 119.914 -0.101 0.000 2.261 309 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 309 V C 2.469 178.548 176.094 -0.025 0.000 1.047 309 V CA 1.284 63.555 62.300 -0.048 0.000 1.015 309 V CB -0.651 31.143 31.823 -0.048 0.000 0.642 309 V HN 0.302 nan 8.190 nan 0.000 0.446 310 L N 0.905 122.089 121.223 -0.065 0.000 2.083 310 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 310 L C 2.622 179.489 176.870 -0.005 0.000 1.083 310 L CA 2.648 57.474 54.840 -0.024 0.000 0.752 310 L CB -1.383 40.637 42.059 -0.065 0.000 0.899 310 L HN 0.669 nan 8.230 nan 0.000 0.433 311 T N -6.201 108.340 114.554 -0.022 0.000 3.081 311 T HA 0.044 4.394 4.350 -0.000 0.000 0.250 311 T C 0.791 175.491 174.700 0.000 0.000 1.100 311 T CA 0.139 62.233 62.100 -0.011 0.000 1.038 311 T CB -0.394 68.462 68.868 -0.019 0.000 0.962 311 T HN 0.147 nan 8.240 nan 0.000 0.516 312 T N 3.812 118.368 114.554 0.005 0.000 2.853 312 T HA 0.350 4.700 4.350 -0.000 0.000 0.317 312 T C -1.958 172.760 174.700 0.029 0.000 1.059 312 T CA -1.268 60.839 62.100 0.013 0.000 0.954 312 T CB 1.532 70.405 68.868 0.008 0.000 0.994 312 T HN -0.040 nan 8.240 nan 0.000 0.479 313 P HA -0.235 nan 4.420 nan 0.000 0.219 313 P C 1.487 178.812 177.300 0.042 0.000 1.158 313 P CA 1.112 64.233 63.100 0.035 0.000 0.895 313 P CB 0.353 32.067 31.700 0.024 0.000 0.792 314 E N -1.052 119.170 120.200 0.036 0.000 2.077 314 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 314 E C 1.752 178.386 176.600 0.056 0.000 0.989 314 E CA 0.945 57.369 56.400 0.039 0.000 0.800 314 E CB -0.403 29.315 29.700 0.031 0.000 0.746 314 E HN 0.006 nan 8.360 nan 0.000 0.452 315 L N 1.156 122.415 121.223 0.061 0.000 2.056 315 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 315 L C 2.563 179.516 176.870 0.138 0.000 1.078 315 L CA 1.511 56.401 54.840 0.083 0.000 0.749 315 L CB -0.837 41.254 42.059 0.054 0.000 0.901 315 L HN 0.103 nan 8.230 nan 0.000 0.433 316 R N -0.609 119.972 120.500 0.134 0.000 2.081 316 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 316 R C 2.166 178.589 176.300 0.206 0.000 1.131 316 R CA 1.420 57.651 56.100 0.218 0.000 0.960 316 R CB -0.180 30.217 30.300 0.161 0.000 0.856 316 R HN 0.357 nan 8.270 nan 0.000 0.436 317 A N 0.733 123.619 122.820 0.110 0.000 1.908 317 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 317 A C 1.791 179.398 177.584 0.039 0.000 1.181 317 A CA 2.072 54.142 52.037 0.055 0.000 0.627 317 A CB -0.665 18.355 19.000 0.033 0.000 0.818 317 A HN 0.526 nan 8.150 nan 0.000 0.445 318 D N -2.247 118.195 120.400 0.070 0.000 2.183 318 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 318 D C 1.584 177.920 176.300 0.060 0.000 0.969 318 D CA 1.238 55.269 54.000 0.052 0.000 0.842 318 D CB -0.227 40.614 40.800 0.068 0.000 0.957 318 D HN 0.616 nan 8.370 nan 0.000 0.484 319 W N 0.857 122.116 121.300 -0.069 0.000 2.379 319 W HA -0.097 4.563 4.660 -0.000 0.000 0.307 319 W C 2.002 178.413 176.519 -0.179 0.000 1.200 319 W CA 1.403 58.671 57.345 -0.127 0.000 1.297 319 W CB -0.453 28.925 29.460 -0.137 0.000 1.140 319 W HN -0.070 nan 8.180 nan 0.000 0.507 320 M N 0.628 119.997 119.600 -0.384 0.000 2.108 320 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 320 M C 2.322 178.346 176.300 -0.461 0.000 1.066 320 M CA 2.185 57.119 55.300 -0.609 0.000 1.107 320 M CB -1.129 31.296 32.600 -0.291 0.000 1.356 320 M HN 0.176 nan 8.290 nan 0.000 0.406 321 A N 0.060 122.719 122.820 -0.267 0.000 1.877 321 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 321 A C 2.000 179.444 177.584 -0.234 0.000 1.186 321 A CA 2.060 53.976 52.037 -0.202 0.000 0.620 321 A CB -0.808 18.125 19.000 -0.112 0.000 0.822 321 A HN 0.569 nan 8.150 nan 0.000 0.443 322 E N -0.804 119.254 120.200 -0.237 0.000 2.072 322 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 322 E C 1.885 178.271 176.600 -0.357 0.000 0.985 322 E CA 1.195 57.462 56.400 -0.222 0.000 0.801 322 E CB -0.173 29.449 29.700 -0.130 0.000 0.750 322 E HN 0.419 nan 8.360 nan 0.000 0.452 323 L N 1.386 122.274 121.223 -0.558 0.000 2.083 323 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 323 L C 2.156 178.682 176.870 -0.573 0.000 1.083 323 L CA 1.938 56.354 54.840 -0.705 0.000 0.752 323 L CB -0.435 40.993 42.059 -1.052 0.000 0.899 323 L HN 0.120 nan 8.230 nan 0.000 0.433 324 E N -0.169 119.758 120.200 -0.454 0.000 2.047 324 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 324 E C 2.140 178.590 176.600 -0.249 0.000 0.987 324 E CA 1.542 57.747 56.400 -0.325 0.000 0.799 324 E CB -0.383 29.161 29.700 -0.259 0.000 0.752 324 E HN 0.495 nan 8.360 nan 0.000 0.449 325 A N 0.155 122.841 122.820 -0.223 0.000 1.908 325 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 325 A C 2.529 180.019 177.584 -0.157 0.000 1.181 325 A CA 1.770 53.716 52.037 -0.153 0.000 0.627 325 A CB -0.898 18.030 19.000 -0.119 0.000 0.818 325 A HN 0.202 nan 8.150 nan 0.000 0.445 326 V N 0.558 120.317 119.914 -0.257 0.000 2.255 326 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 326 V C 2.735 178.711 176.094 -0.197 0.000 1.051 326 V CA 2.443 64.555 62.300 -0.314 0.000 1.018 326 V CB -0.865 30.576 31.823 -0.636 0.000 0.641 326 V HN 0.772 nan 8.190 nan 0.000 0.445 327 R N 0.961 121.295 120.500 -0.277 0.000 2.081 327 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 327 R C 2.435 178.678 176.300 -0.094 0.000 1.131 327 R CA 2.255 58.242 56.100 -0.188 0.000 0.960 327 R CB -0.483 29.644 30.300 -0.289 0.000 0.856 327 R HN 0.657 nan 8.270 nan 0.000 0.436 328 S N -0.526 115.111 115.700 -0.106 0.000 2.406 328 S HA 0.005 4.474 4.470 -0.000 0.000 0.228 328 S C 2.173 176.754 174.600 -0.031 0.000 1.020 328 S CA 0.654 58.815 58.200 -0.065 0.000 0.965 328 S CB -0.529 62.627 63.200 -0.074 0.000 0.798 328 S HN 0.543 nan 8.310 nan 0.000 0.488 329 G N 1.726 110.512 108.800 -0.023 0.000 2.418 329 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 329 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 329 G C 1.506 176.429 174.900 0.039 0.000 1.158 329 G CA 0.932 46.042 45.100 0.017 0.000 0.771 329 G HN 0.494 nan 8.290 nan 0.000 0.545 330 M N -0.034 119.600 119.600 0.055 0.000 2.175 330 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 330 M C 2.401 178.721 176.300 0.034 0.000 1.063 330 M CA 0.616 55.956 55.300 0.067 0.000 1.119 330 M CB -0.250 32.411 32.600 0.100 0.000 1.377 330 M HN 0.119 nan 8.290 nan 0.000 0.415 331 L N 0.584 121.818 121.223 0.019 0.000 2.042 331 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 331 L C 2.439 179.311 176.870 0.005 0.000 1.076 331 L CA 1.919 56.766 54.840 0.010 0.000 0.749 331 L CB -0.876 41.182 42.059 -0.002 0.000 0.893 331 L HN 0.355 nan 8.230 nan 0.000 0.432 332 R N -0.428 120.073 120.500 0.002 0.000 2.073 332 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 332 R C 2.460 178.758 176.300 -0.004 0.000 1.134 332 R CA 1.340 57.438 56.100 -0.002 0.000 0.952 332 R CB -0.210 30.089 30.300 -0.001 0.000 0.850 332 R HN 0.375 nan 8.270 nan 0.000 0.433 333 L N 0.402 121.628 121.223 0.004 0.000 2.042 333 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 333 L C 2.735 179.597 176.870 -0.014 0.000 1.076 333 L CA 1.625 56.464 54.840 -0.002 0.000 0.749 333 L CB -0.400 41.666 42.059 0.010 0.000 0.893 333 L HN 0.270 nan 8.230 nan 0.000 0.432 334 R N -0.013 120.483 120.500 -0.007 0.000 2.073 334 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 334 R C 2.109 178.386 176.300 -0.037 0.000 1.134 334 R CA 1.600 57.690 56.100 -0.017 0.000 0.952 334 R CB -0.469 29.833 30.300 0.004 0.000 0.850 334 R HN 0.490 nan 8.270 nan 0.000 0.433 335 E N 0.918 121.101 120.200 -0.027 0.000 2.085 335 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 335 E C 2.233 178.808 176.600 -0.042 0.000 0.994 335 E CA 1.142 57.523 56.400 -0.032 0.000 0.801 335 E CB -0.062 29.625 29.700 -0.021 0.000 0.743 335 E HN 0.405 nan 8.360 nan 0.000 0.453 336 Q N 0.391 120.169 119.800 -0.038 0.000 2.020 336 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 336 Q C 2.403 178.364 176.000 -0.065 0.000 0.982 336 Q CA 0.905 56.681 55.803 -0.044 0.000 0.838 336 Q CB -0.247 28.469 28.738 -0.036 0.000 0.899 336 Q HN 0.290 nan 8.270 nan 0.000 0.423 337 L N 0.666 121.845 121.223 -0.074 0.000 2.013 337 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 337 L C 2.203 178.987 176.870 -0.143 0.000 1.073 337 L CA 2.235 57.010 54.840 -0.108 0.000 0.753 337 L CB -1.127 40.871 42.059 -0.100 0.000 0.890 337 L HN 0.192 nan 8.230 nan 0.000 0.432 338 A N -0.377 122.367 122.820 -0.126 0.000 1.902 338 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 338 A C 2.370 179.899 177.584 -0.092 0.000 1.181 338 A CA 1.592 53.552 52.037 -0.128 0.000 0.623 338 A CB -1.269 17.663 19.000 -0.115 0.000 0.818 338 A HN 0.523 nan 8.150 nan 0.000 0.443 339 G N -0.468 108.288 108.800 -0.073 0.000 2.421 339 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 339 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 339 G C 1.449 176.310 174.900 -0.064 0.000 1.171 339 G CA 1.374 46.442 45.100 -0.054 0.000 0.775 339 G HN 0.565 nan 8.290 nan 0.000 0.543 340 E N 0.452 120.601 120.200 -0.085 0.000 2.038 340 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 340 E C 2.537 179.064 176.600 -0.122 0.000 1.000 340 E CA 0.950 57.293 56.400 -0.096 0.000 0.803 340 E CB -0.510 29.125 29.700 -0.110 0.000 0.750 340 E HN 0.420 nan 8.360 nan 0.000 0.448 341 L N 0.104 121.214 121.223 -0.189 0.000 2.042 341 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 341 L C 2.815 179.629 176.870 -0.093 0.000 1.076 341 L CA 1.750 56.427 54.840 -0.272 0.000 0.749 341 L CB -0.468 41.228 42.059 -0.606 0.000 0.893 341 L HN 0.184 nan 8.230 nan 0.000 0.432 342 R N 0.364 120.846 120.500 -0.031 0.000 2.080 342 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 342 R C 1.754 178.059 176.300 0.009 0.000 1.137 342 R CA 2.145 58.261 56.100 0.027 0.000 0.943 342 R CB -0.292 30.015 30.300 0.012 0.000 0.846 342 R HN 0.296 nan 8.270 nan 0.000 0.431 343 D N 0.420 120.809 120.400 -0.017 0.000 2.310 343 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 343 D C 1.371 177.662 176.300 -0.015 0.000 0.965 343 D CA 0.901 54.892 54.000 -0.015 0.000 0.879 343 D CB 0.096 40.881 40.800 -0.024 0.000 0.921 343 D HN 0.364 nan 8.370 nan 0.000 0.510 344 L N 0.173 121.381 121.223 -0.026 0.000 2.653 344 L HA 0.095 4.435 4.340 -0.000 0.000 0.231 344 L C 1.179 178.055 176.870 0.010 0.000 1.153 344 L CA 0.131 54.956 54.840 -0.025 0.000 0.933 344 L CB 0.125 42.144 42.059 -0.066 0.000 1.175 344 L HN -0.000 nan 8.230 nan 0.000 0.473 345 S N -3.607 112.116 115.700 0.038 0.000 2.456 345 S HA 0.126 4.596 4.470 -0.000 0.000 0.282 345 S C 1.211 175.846 174.600 0.058 0.000 1.057 345 S CA 0.394 58.638 58.200 0.073 0.000 1.321 345 S CB 0.634 63.929 63.200 0.159 0.000 1.117 345 S HN 0.251 nan 8.310 nan 0.000 0.584 346 G N 1.877 110.705 108.800 0.045 0.000 2.246 346 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.273 346 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.273 346 G C -0.028 174.894 174.900 0.036 0.000 1.055 346 G CA 0.517 45.637 45.100 0.032 0.000 0.851 346 G HN 1.834 nan 8.290 nan 0.000 0.500 347 S N -1.910 113.823 115.700 0.054 0.000 2.540 347 S HA 0.582 5.052 4.470 -0.000 0.000 0.275 347 S C -0.310 174.318 174.600 0.047 0.000 1.123 347 S CA -0.365 57.860 58.200 0.041 0.000 0.907 347 S CB 2.042 65.262 63.200 0.033 0.000 1.081 347 S HN -0.036 nan 8.310 nan 0.000 0.476 348 D N 0.979 121.389 120.400 0.017 0.000 2.323 348 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 348 D C 1.613 177.906 176.300 -0.011 0.000 1.129 348 D CA 0.001 54.007 54.000 0.011 0.000 0.865 348 D CB 0.029 40.830 40.800 0.002 0.000 0.913 348 D HN 0.434 nan 8.370 nan 0.000 0.517 349 R N -0.082 120.385 120.500 -0.054 0.000 2.083 349 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 349 R C 0.903 177.079 176.300 -0.208 0.000 1.137 349 R CA 0.958 56.950 56.100 -0.181 0.000 0.951 349 R CB -0.328 29.743 30.300 -0.382 0.000 0.851 349 R HN 0.270 nan 8.270 nan 0.000 0.434 350 F N 0.339 120.245 119.950 -0.072 0.000 2.769 350 F HA 0.150 4.677 4.527 -0.000 0.000 0.304 350 F C 2.075 177.524 175.800 -0.585 0.000 1.158 350 F CA 0.175 57.912 58.000 -0.438 0.000 1.398 350 F CB -0.303 38.486 39.000 -0.351 0.000 1.094 350 F HN 0.124 nan 8.300 nan 0.000 0.553 351 G N 0.973 109.684 108.800 -0.148 0.000 2.450 351 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 351 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 351 G C 1.585 176.390 174.900 -0.160 0.000 1.130 351 G CA 0.974 46.007 45.100 -0.111 0.000 0.760 351 G HN 0.526 nan 8.290 nan 0.000 0.557 352 F N 1.047 120.948 119.950 -0.082 0.000 2.236 352 F HA -0.069 4.458 4.527 -0.000 0.000 0.302 352 F C 2.203 177.801 175.800 -0.337 0.000 1.073 352 F CA 0.761 58.636 58.000 -0.209 0.000 1.336 352 F CB -0.958 37.886 39.000 -0.260 0.000 1.040 352 F HN 0.010 nan 8.300 nan 0.000 0.507 353 V N 1.335 120.831 119.914 -0.696 0.000 2.343 353 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 353 V C 2.924 178.947 176.094 -0.118 0.000 1.051 353 V CA 1.945 64.024 62.300 -0.369 0.000 1.036 353 V CB -1.520 30.081 31.823 -0.371 0.000 0.654 353 V HN 0.578 nan 8.190 nan 0.000 0.451 354 A N -0.652 122.102 122.820 -0.110 0.000 2.014 354 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 354 A C 2.104 179.704 177.584 0.027 0.000 1.163 354 A CA 1.479 53.499 52.037 -0.030 0.000 0.652 354 A CB -0.337 18.641 19.000 -0.037 0.000 0.808 354 A HN 0.517 nan 8.150 nan 0.000 0.449 355 E N -0.194 120.032 120.200 0.045 0.000 2.112 355 E HA 0.029 4.379 4.350 -0.000 0.000 0.190 355 E C 0.433 177.168 176.600 0.224 0.000 0.979 355 E CA 0.312 56.781 56.400 0.114 0.000 0.814 355 E CB -0.315 29.460 29.700 0.125 0.000 0.762 355 E HN 0.775 nan 8.360 nan 0.000 0.460 356 H N -0.004 119.152 119.070 0.143 0.000 2.929 356 H HA 0.140 4.696 4.556 -0.000 0.000 0.358 356 H C 0.092 175.483 175.328 0.106 0.000 1.111 356 H CA -0.027 56.116 56.048 0.157 0.000 1.409 356 H CB 0.604 30.494 29.762 0.213 0.000 1.373 356 H HN -0.181 nan 8.280 nan 0.000 0.610 357 R N 0.744 121.361 120.500 0.196 0.000 2.628 357 R HA 0.452 4.792 4.340 -0.000 0.000 0.288 357 R C -0.554 175.787 176.300 0.069 0.000 0.980 357 R CA 0.403 56.575 56.100 0.120 0.000 0.891 357 R CB 1.785 32.153 30.300 0.114 0.000 1.188 357 R HN 0.960 nan 8.270 nan 0.000 0.450 358 G N 2.083 110.894 108.800 0.018 0.000 2.280 358 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.277 358 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.277 358 G C -0.129 174.626 174.900 -0.241 0.000 1.288 358 G CA -0.073 44.959 45.100 -0.113 0.000 1.075 358 G HN 0.585 nan 8.290 nan 0.000 0.480 359 M N -0.709 118.515 119.600 -0.626 0.000 2.534 359 M HA 0.471 4.951 4.480 -0.000 0.000 0.263 359 M C 0.091 175.948 176.300 -0.738 0.000 1.152 359 M CA 0.632 55.456 55.300 -0.794 0.000 1.145 359 M CB 0.181 31.985 32.600 -1.327 0.000 1.333 359 M HN 0.317 nan 8.290 nan 0.000 0.477 360 F N -0.952 118.924 119.950 -0.124 0.000 2.518 360 F HA 0.645 5.172 4.527 -0.000 0.000 0.338 360 F C 0.089 175.921 175.800 0.054 0.000 1.065 360 F CA -1.193 56.787 58.000 -0.034 0.000 1.012 360 F CB 1.412 40.378 39.000 -0.057 0.000 1.297 360 F HN -0.269 nan 8.300 nan 0.000 0.489 361 S N 0.003 115.904 115.700 0.335 0.000 2.582 361 S HA 0.413 4.883 4.470 -0.000 0.000 0.287 361 S C -1.280 173.520 174.600 0.334 0.000 1.146 361 S CA -0.793 57.660 58.200 0.421 0.000 0.941 361 S CB 0.815 64.288 63.200 0.454 0.000 1.115 361 S HN 0.604 nan 8.310 nan 0.000 0.458 362 R N 3.810 124.485 120.500 0.290 0.000 2.202 362 R HA 0.401 4.741 4.340 -0.000 0.000 0.334 362 R C 1.090 177.560 176.300 0.283 0.000 1.036 362 R CA -0.381 55.813 56.100 0.155 0.000 0.878 362 R CB 0.586 30.815 30.300 -0.117 0.000 1.067 362 R HN 0.618 nan 8.270 nan 0.000 0.457 363 L N 1.865 123.257 121.223 0.283 0.000 2.275 363 L HA -0.036 4.303 4.340 -0.000 0.000 0.215 363 L C 1.429 178.456 176.870 0.260 0.000 1.119 363 L CA 1.216 56.287 54.840 0.384 0.000 0.790 363 L CB -0.198 42.042 42.059 0.302 0.000 0.919 363 L HN 1.105 nan 8.230 nan 0.000 0.443 364 G N -0.394 108.492 108.800 0.144 0.000 2.176 364 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 364 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 364 G C 0.414 175.372 174.900 0.098 0.000 0.979 364 G CA 0.058 45.215 45.100 0.094 0.000 0.641 364 G HN 0.542 nan 8.290 nan 0.000 0.530 365 A N 0.494 123.386 122.820 0.119 0.000 2.425 365 A HA 0.691 5.011 4.320 -0.000 0.000 0.242 365 A C 1.107 178.738 177.584 0.077 0.000 1.077 365 A CA 1.144 53.243 52.037 0.104 0.000 0.781 365 A CB 0.188 19.255 19.000 0.111 0.000 1.020 365 A HN 1.809 nan 8.150 nan 0.000 0.494 366 T N -0.091 114.504 114.554 0.067 0.000 2.849 366 T HA 0.417 4.767 4.350 -0.000 0.000 0.284 366 T C -1.429 173.303 174.700 0.053 0.000 1.004 366 T CA -1.007 61.126 62.100 0.054 0.000 1.021 366 T CB 0.857 69.754 68.868 0.047 0.000 1.013 366 T HN 0.476 nan 8.240 nan 0.000 0.527 367 P HA -0.201 nan 4.420 nan 0.000 0.218 367 P C 1.197 178.524 177.300 0.046 0.000 1.148 367 P CA 1.596 64.722 63.100 0.043 0.000 0.822 367 P CB 0.074 31.795 31.700 0.034 0.000 0.784 368 E N 0.558 120.784 120.200 0.044 0.000 2.072 368 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 368 E C 2.230 178.862 176.600 0.054 0.000 0.985 368 E CA 0.799 57.225 56.400 0.044 0.000 0.801 368 E CB -0.934 28.789 29.700 0.039 0.000 0.750 368 E HN 0.264 nan 8.360 nan 0.000 0.452 369 Q N 0.853 120.690 119.800 0.061 0.000 2.020 369 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 369 Q C 2.571 178.621 176.000 0.082 0.000 0.982 369 Q CA 1.657 57.505 55.803 0.075 0.000 0.838 369 Q CB -0.396 28.389 28.738 0.079 0.000 0.899 369 Q HN 0.285 nan 8.270 nan 0.000 0.423 370 V N 1.329 121.287 119.914 0.073 0.000 2.324 370 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 370 V C 2.273 178.410 176.094 0.071 0.000 1.060 370 V CA 2.377 64.720 62.300 0.071 0.000 1.042 370 V CB -0.293 31.570 31.823 0.066 0.000 0.650 370 V HN 0.259 nan 8.190 nan 0.000 0.450 371 K N 0.338 120.778 120.400 0.067 0.000 2.097 371 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 371 K C 2.200 178.835 176.600 0.059 0.000 1.049 371 K CA 1.725 58.051 56.287 0.066 0.000 0.933 371 K CB -0.407 32.128 32.500 0.057 0.000 0.717 371 K HN 0.558 nan 8.250 nan 0.000 0.442 372 R N 0.095 120.634 120.500 0.064 0.000 2.073 372 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 372 R C 2.380 178.737 176.300 0.094 0.000 1.134 372 R CA 1.838 57.973 56.100 0.058 0.000 0.952 372 R CB -0.589 29.756 30.300 0.075 0.000 0.850 372 R HN 0.219 nan 8.270 nan 0.000 0.433 373 I N 1.922 122.600 120.570 0.181 0.000 2.127 373 I HA -0.363 3.807 4.170 -0.000 0.000 0.241 373 I C 2.545 178.752 176.117 0.150 0.000 1.075 373 I CA 1.770 63.269 61.300 0.333 0.000 1.334 373 I CB -0.521 37.573 38.000 0.157 0.000 1.040 373 I HN 0.260 nan 8.210 nan 0.000 0.405 374 K N 1.318 121.704 120.400 -0.023 0.000 2.026 374 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 374 K C 1.807 178.249 176.600 -0.264 0.000 1.048 374 K CA 1.665 57.776 56.287 -0.294 0.000 0.929 374 K CB -0.486 31.919 32.500 -0.158 0.000 0.713 374 K HN 0.351 nan 8.250 nan 0.000 0.439 375 E N 1.035 121.204 120.200 -0.052 0.000 2.072 375 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 375 E C 2.242 178.799 176.600 -0.073 0.000 0.985 375 E CA 1.722 58.117 56.400 -0.008 0.000 0.801 375 E CB 0.056 29.766 29.700 0.016 0.000 0.750 375 E HN 0.675 nan 8.360 nan 0.000 0.452 376 E N -0.065 120.044 120.200 -0.152 0.000 2.102 376 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 376 E C 1.624 178.018 176.600 -0.343 0.000 0.971 376 E CA 0.518 56.739 56.400 -0.298 0.000 0.821 376 E CB -0.285 29.127 29.700 -0.480 0.000 0.777 376 E HN 0.160 nan 8.360 nan 0.000 0.460 377 F N 1.057 120.955 119.950 -0.086 0.000 2.615 377 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 377 F C 1.778 177.506 175.800 -0.120 0.000 1.124 377 F CA 0.844 58.791 58.000 -0.088 0.000 1.451 377 F CB 0.392 39.343 39.000 -0.082 0.000 1.103 377 F HN 0.300 nan 8.300 nan 0.000 0.569 378 G N 1.291 110.050 108.800 -0.067 0.000 2.155 378 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 378 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 378 G C 0.355 175.101 174.900 -0.257 0.000 0.983 378 G CA 0.259 45.260 45.100 -0.165 0.000 0.676 378 G HN 0.450 nan 8.290 nan 0.000 0.528 379 I N 0.740 121.157 120.570 -0.255 0.000 2.307 379 I HA 0.606 4.776 4.170 -0.000 0.000 0.289 379 I C -0.437 175.514 176.117 -0.278 0.000 1.021 379 I CA -1.418 59.802 61.300 -0.132 0.000 1.224 379 I CB 0.214 38.191 38.000 -0.038 0.000 1.376 379 I HN 0.064 nan 8.210 nan 0.000 0.470 380 Y N 8.233 128.637 120.300 0.174 0.000 2.404 380 Y HA 0.406 4.956 4.550 0.000 0.000 0.344 380 Y C 0.447 176.386 175.900 0.065 0.000 0.970 380 Y CA -0.651 57.529 58.100 0.134 0.000 1.180 380 Y CB 0.936 39.518 38.460 0.203 0.000 1.138 380 Y HN 0.556 nan 8.280 nan 0.000 0.510 381 M N 0.551 120.241 119.600 0.150 0.000 2.662 381 M HA 0.785 5.265 4.480 -0.000 0.000 0.310 381 M C -1.249 175.109 176.300 0.096 0.000 1.204 381 M CA -1.275 54.086 55.300 0.102 0.000 0.891 381 M CB 1.443 34.087 32.600 0.073 0.000 1.732 381 M HN 0.123 nan 8.290 nan 0.000 0.467 382 V N 2.597 122.547 119.914 0.061 0.000 2.673 382 V HA 0.082 4.202 4.120 -0.000 0.000 0.303 382 V C 1.702 177.818 176.094 0.036 0.000 1.046 382 V CA 1.087 63.406 62.300 0.033 0.000 1.126 382 V CB 0.561 32.374 31.823 -0.017 0.000 0.934 382 V HN 1.145 nan 8.190 nan 0.000 0.487 383 G N 3.581 112.402 108.800 0.035 0.000 2.606 383 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.223 383 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.223 383 G C 0.917 175.834 174.900 0.028 0.000 1.106 383 G CA 1.094 46.215 45.100 0.035 0.000 0.745 383 G HN 0.989 nan 8.290 nan 0.000 0.597 384 D N -0.312 120.095 120.400 0.011 0.000 2.352 384 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 384 D C 1.193 177.505 176.300 0.019 0.000 1.148 384 D CA 0.914 54.919 54.000 0.008 0.000 0.844 384 D CB -0.666 40.124 40.800 -0.018 0.000 0.933 384 D HN 0.652 nan 8.370 nan 0.000 0.507 385 S N -0.851 114.873 115.700 0.039 0.000 3.672 385 S HA -0.295 4.175 4.470 -0.000 0.000 0.319 385 S C 0.197 174.839 174.600 0.070 0.000 1.151 385 S CA 0.298 58.537 58.200 0.065 0.000 0.911 385 S CB -2.511 60.740 63.200 0.086 0.000 0.939 385 S HN 0.657 nan 8.310 nan 0.000 0.524 386 R N 1.438 121.962 120.500 0.040 0.000 2.234 386 R HA 0.646 4.986 4.340 -0.000 0.000 0.324 386 R C 0.522 176.881 176.300 0.098 0.000 1.054 386 R CA -0.357 55.771 56.100 0.045 0.000 0.912 386 R CB 0.283 30.548 30.300 -0.059 0.000 1.030 386 R HN 0.719 nan 8.270 nan 0.000 0.455 387 I N 1.394 122.062 120.570 0.164 0.000 2.493 387 I HA 0.400 4.570 4.170 -0.000 0.000 0.298 387 I C -0.600 175.665 176.117 0.246 0.000 0.998 387 I CA -1.105 60.295 61.300 0.166 0.000 1.137 387 I CB 1.872 39.943 38.000 0.118 0.000 1.310 387 I HN 0.403 nan 8.210 nan 0.000 0.445 388 N N 5.902 124.729 118.700 0.212 0.000 2.437 388 N HA 0.327 5.067 4.740 -0.000 0.000 0.243 388 N C 0.566 176.095 175.510 0.032 0.000 1.041 388 N CA -0.323 52.818 53.050 0.152 0.000 0.940 388 N CB 0.828 39.404 38.487 0.147 0.000 1.133 388 N HN 0.832 nan 8.380 nan 0.000 0.506 389 I N 1.992 122.561 120.570 -0.002 0.000 2.567 389 I HA -0.232 3.938 4.170 -0.000 0.000 0.257 389 I C 1.811 177.922 176.117 -0.012 0.000 1.184 389 I CA 0.792 62.091 61.300 -0.001 0.000 1.451 389 I CB -0.147 37.856 38.000 0.006 0.000 1.089 389 I HN 0.566 nan 8.210 nan 0.000 0.441 390 A N 0.633 123.437 122.820 -0.028 0.000 2.209 390 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 390 A C 2.214 179.748 177.584 -0.083 0.000 1.158 390 A CA 1.288 53.311 52.037 -0.023 0.000 0.742 390 A CB -0.815 18.188 19.000 0.005 0.000 0.790 390 A HN 0.465 nan 8.150 nan 0.000 0.472 391 G N -1.286 107.477 108.800 -0.062 0.000 2.939 391 G HA2 0.375 4.335 3.960 -0.000 0.000 0.210 391 G HA3 0.375 4.335 3.960 -0.000 0.000 0.210 391 G C 0.338 175.208 174.900 -0.050 0.000 1.160 391 G CA -0.002 45.054 45.100 -0.073 0.000 0.770 391 G HN 0.291 nan 8.290 nan 0.000 0.543 392 L N 0.877 122.079 121.223 -0.035 0.000 2.431 392 L HA 0.572 4.912 4.340 -0.000 0.000 0.260 392 L C -0.007 176.849 176.870 -0.024 0.000 1.098 392 L CA -0.746 54.077 54.840 -0.027 0.000 0.800 392 L CB 1.572 43.616 42.059 -0.025 0.000 1.210 392 L HN 0.499 nan 8.230 nan 0.000 0.465 393 N N -2.722 115.965 118.700 -0.021 0.000 3.227 393 N HA 0.208 4.948 4.740 -0.000 0.000 0.241 393 N C -0.379 175.121 175.510 -0.016 0.000 1.480 393 N CA -0.657 52.385 53.050 -0.014 0.000 0.886 393 N CB 0.294 38.774 38.487 -0.011 0.000 1.406 393 N HN 0.366 nan 8.380 nan 0.000 0.514 394 D N -0.549 119.844 120.400 -0.011 0.000 2.203 394 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 394 D C 0.746 177.037 176.300 -0.016 0.000 0.997 394 D CA 1.651 55.642 54.000 -0.014 0.000 0.863 394 D CB -0.148 40.647 40.800 -0.009 0.000 0.928 394 D HN 0.463 nan 8.370 nan 0.000 0.458 395 N N -0.448 118.245 118.700 -0.011 0.000 2.171 395 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 395 N C 1.887 177.388 175.510 -0.014 0.000 1.021 395 N CA 1.707 54.752 53.050 -0.009 0.000 0.854 395 N CB -0.754 37.733 38.487 -0.001 0.000 0.994 395 N HN 0.353 nan 8.380 nan 0.000 0.426 396 T N -1.352 113.192 114.554 -0.016 0.000 3.054 396 T HA 0.214 4.564 4.350 -0.000 0.000 0.259 396 T C 2.014 176.688 174.700 -0.044 0.000 1.092 396 T CA 0.066 62.153 62.100 -0.022 0.000 1.121 396 T CB -0.317 68.543 68.868 -0.013 0.000 0.912 396 T HN 0.052 nan 8.240 nan 0.000 0.489 397 I N 2.713 123.256 120.570 -0.046 0.000 2.091 397 I HA -0.123 4.047 4.170 -0.000 0.000 0.239 397 I C -0.084 175.981 176.117 -0.086 0.000 1.061 397 I CA 1.636 62.897 61.300 -0.066 0.000 1.317 397 I CB -1.206 36.758 38.000 -0.059 0.000 1.031 397 I HN 0.235 nan 8.210 nan 0.000 0.401 398 P HA -0.163 nan 4.420 nan 0.000 0.218 398 P C 1.850 179.092 177.300 -0.097 0.000 1.148 398 P CA 1.767 64.817 63.100 -0.082 0.000 0.822 398 P CB -0.129 31.537 31.700 -0.057 0.000 0.784 399 I N -0.749 119.772 120.570 -0.083 0.000 2.226 399 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 399 I C 2.583 178.598 176.117 -0.170 0.000 1.100 399 I CA 0.988 62.231 61.300 -0.095 0.000 1.374 399 I CB -0.821 37.148 38.000 -0.052 0.000 1.057 399 I HN -0.071 nan 8.210 nan 0.000 0.413 400 L N 1.464 122.594 121.223 -0.155 0.000 2.017 400 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 400 L C 2.601 179.330 176.870 -0.235 0.000 1.073 400 L CA 2.119 56.844 54.840 -0.192 0.000 0.745 400 L CB -0.855 41.124 42.059 -0.132 0.000 0.894 400 L HN 0.167 nan 8.230 nan 0.000 0.432 401 A N -0.060 122.632 122.820 -0.213 0.000 1.892 401 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 401 A C 2.580 180.020 177.584 -0.241 0.000 1.188 401 A CA 2.196 54.081 52.037 -0.253 0.000 0.631 401 A CB -0.769 18.101 19.000 -0.217 0.000 0.822 401 A HN 0.566 nan 8.150 nan 0.000 0.447 402 R N -0.569 119.809 120.500 -0.203 0.000 2.073 402 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 402 R C 2.359 178.494 176.300 -0.275 0.000 1.134 402 R CA 1.500 57.493 56.100 -0.178 0.000 0.952 402 R CB -0.486 29.741 30.300 -0.120 0.000 0.850 402 R HN 0.429 nan 8.270 nan 0.000 0.433 403 A N 1.728 124.260 122.820 -0.480 0.000 1.917 403 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 403 A C 2.175 179.418 177.584 -0.570 0.000 1.182 403 A CA 1.948 53.392 52.037 -0.990 0.000 0.633 403 A CB -0.795 17.500 19.000 -1.175 0.000 0.819 403 A HN 0.634 nan 8.150 nan 0.000 0.448 404 I N -3.988 116.388 120.570 -0.323 0.000 2.716 404 I HA -0.015 4.155 4.170 -0.000 0.000 0.259 404 I C 1.905 177.981 176.117 -0.068 0.000 1.172 404 I CA 0.600 61.810 61.300 -0.149 0.000 1.478 404 I CB -0.316 37.620 38.000 -0.107 0.000 1.104 404 I HN 0.057 nan 8.210 nan 0.000 0.439 405 I N 1.993 122.496 120.570 -0.111 0.000 2.315 405 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 405 I C 2.654 178.778 176.117 0.012 0.000 1.117 405 I CA 1.346 62.625 61.300 -0.035 0.000 1.404 405 I CB -0.967 36.992 38.000 -0.069 0.000 1.071 405 I HN 0.322 nan 8.210 nan 0.000 0.419 406 E N 0.192 120.391 120.200 -0.002 0.000 2.070 406 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 406 E C 0.920 177.575 176.600 0.091 0.000 1.004 406 E CA 0.924 57.368 56.400 0.074 0.000 0.805 406 E CB -0.275 29.533 29.700 0.180 0.000 0.744 406 E HN 0.239 nan 8.360 nan 0.000 0.451 407 V N -0.095 119.874 119.914 0.092 0.000 2.443 407 V HA 0.518 4.638 4.120 -0.000 0.000 0.293 407 V C 0.445 176.594 176.094 0.092 0.000 1.021 407 V CA 0.479 62.836 62.300 0.095 0.000 0.848 407 V CB 0.624 32.516 31.823 0.116 0.000 0.998 407 V HN 0.541 nan 8.190 nan 0.000 0.424 408 G N 5.109 113.961 108.800 0.087 0.000 2.583 408 G HA2 0.065 4.025 3.960 -0.000 0.000 0.292 408 G HA3 0.065 4.025 3.960 -0.000 0.000 0.292 408 G C 0.674 175.653 174.900 0.132 0.000 1.203 408 G CA 0.717 45.872 45.100 0.092 0.000 0.987 408 G HN 2.580 nan 8.290 nan 0.000 0.554 409 V N 0.000 120.002 119.914 0.147 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.437 62.300 0.228 0.000 1.235 409 V CB 0.000 32.078 31.823 0.424 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556