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 1p2q_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.166 174.090 0.126 0.000 1.270 1 c CA 0.000 56.412 56.329 0.139 0.000 1.963 1 c CB 0.000 42.560 42.510 0.084 0.000 2.134 2 G N 0.075 108.945 108.800 0.118 0.000 2.175 2 G HA2 -0.092 3.871 3.960 0.004 0.000 0.265 2 G HA3 -0.092 3.871 3.960 0.004 0.000 0.265 2 G C -0.161 174.992 174.900 0.421 0.000 0.979 2 G CA 0.549 45.744 45.100 0.159 0.000 0.663 2 G HN 1.998 nan 8.290 nan 0.000 0.533 3 V N 1.658 121.803 119.914 0.386 0.000 2.340 3 V HA 0.385 4.507 4.120 0.004 0.000 0.277 3 V C -1.896 174.357 176.094 0.264 0.000 1.017 3 V CA -1.459 61.028 62.300 0.311 0.000 0.820 3 V CB 1.746 33.669 31.823 0.167 0.000 1.028 3 V HN 0.144 nan 8.190 nan 0.000 0.436 4 P HA 0.258 nan 4.420 nan 0.000 0.271 4 P C 0.836 178.121 177.300 -0.026 0.000 1.216 4 P CA -0.095 63.010 63.100 0.009 0.000 0.771 4 P CB 1.326 32.898 31.700 -0.214 0.000 0.864 5 A N 4.005 126.794 122.820 -0.051 0.000 1.972 5 A HA -0.056 4.266 4.320 0.004 0.000 0.219 5 A C 0.953 178.486 177.584 -0.085 0.000 1.169 5 A CA 1.077 53.086 52.037 -0.046 0.000 0.635 5 A CB -0.704 18.270 19.000 -0.043 0.000 0.810 5 A HN 0.562 nan 8.150 nan 0.000 0.446 6 I N 1.115 121.596 120.570 -0.148 0.000 2.328 6 I HA 0.144 4.317 4.170 0.004 0.000 0.287 6 I C -0.558 175.415 176.117 -0.241 0.000 1.012 6 I CA -0.673 60.516 61.300 -0.185 0.000 1.195 6 I CB 1.286 39.151 38.000 -0.225 0.000 1.350 6 I HN 0.171 nan 8.210 nan 0.000 0.464 7 Q N 7.855 127.548 119.800 -0.179 0.000 2.311 7 Q HA 0.202 4.544 4.340 0.004 0.000 0.272 7 Q C -2.107 173.726 176.000 -0.279 0.000 1.012 7 Q CA -1.315 54.380 55.803 -0.180 0.000 0.891 7 Q CB 0.564 29.252 28.738 -0.084 0.000 1.201 7 Q HN 0.369 nan 8.270 nan 0.000 0.391 8 P HA 0.167 nan 4.420 nan 0.000 0.274 8 P C -0.715 176.470 177.300 -0.193 0.000 1.231 8 P CA -0.322 62.474 63.100 -0.507 0.000 0.790 8 P CB 0.927 31.996 31.700 -1.052 0.000 0.951 9 V N 3.546 123.386 119.914 -0.123 0.000 2.376 9 V HA 0.311 4.433 4.120 0.004 0.000 0.287 9 V C 0.231 176.344 176.094 0.032 0.000 1.015 9 V CA -0.460 61.822 62.300 -0.029 0.000 0.834 9 V CB 1.067 32.864 31.823 -0.042 0.000 1.001 9 V HN 0.372 nan 8.190 nan 0.000 0.428 10 L N 3.503 124.773 121.223 0.078 0.000 2.322 10 L HA 0.560 4.903 4.340 0.004 0.000 0.281 10 L C 0.726 177.640 176.870 0.074 0.000 1.014 10 L CA -0.065 54.837 54.840 0.103 0.000 0.815 10 L CB 2.037 44.196 42.059 0.166 0.000 1.247 10 L HN 0.560 nan 8.230 nan 0.000 0.421 17 V N 5.745 125.670 119.914 0.018 0.000 2.498 17 V HA 0.320 4.442 4.120 0.004 0.000 0.279 17 V C 0.962 177.063 176.094 0.012 0.000 1.048 17 V CA 0.011 62.326 62.300 0.025 0.000 0.967 17 V CB 1.039 32.886 31.823 0.040 0.000 0.988 17 V HN 1.006 nan 8.190 nan 0.000 0.473 18 N N 2.060 120.766 118.700 0.011 0.000 2.776 18 N HA -0.159 4.583 4.740 0.004 0.000 0.250 18 N C 0.668 176.178 175.510 -0.000 0.000 1.112 18 N CA 0.355 53.408 53.050 0.006 0.000 0.733 18 N CB -0.494 37.997 38.487 0.007 0.000 1.097 18 N HN 0.898 nan 8.380 nan 0.000 0.558 19 G N 0.480 109.275 108.800 -0.008 0.000 2.641 19 G HA2 0.565 4.528 3.960 0.004 0.000 0.239 19 G HA3 0.565 4.528 3.960 0.004 0.000 0.239 19 G C -0.263 174.631 174.900 -0.009 0.000 1.402 19 G CA -0.003 45.086 45.100 -0.017 0.000 1.046 19 G HN 0.376 nan 8.290 nan 0.000 0.565 20 E N -1.374 118.820 120.200 -0.010 0.000 2.433 20 E HA 0.378 4.731 4.350 0.004 0.000 0.278 20 E C -1.125 175.482 176.600 0.012 0.000 0.976 20 E CA -0.786 55.618 56.400 0.007 0.000 0.793 20 E CB 1.763 31.476 29.700 0.021 0.000 1.311 20 E HN 0.399 nan 8.360 nan 0.000 0.460 21 E N 0.700 120.920 120.200 0.033 0.000 2.384 21 E HA 0.327 4.679 4.350 0.004 0.000 0.266 21 E C -0.798 175.869 176.600 0.111 0.000 1.012 21 E CA -0.145 56.299 56.400 0.072 0.000 0.901 21 E CB 0.819 30.584 29.700 0.108 0.000 0.967 21 E HN 0.540 nan 8.360 nan 0.000 0.435 22 A N 3.529 126.454 122.820 0.174 0.000 2.279 22 A HA 0.343 4.665 4.320 0.004 0.000 0.303 22 A C -0.456 177.164 177.584 0.060 0.000 1.108 22 A CA -0.716 51.419 52.037 0.164 0.000 0.830 22 A CB 1.043 20.203 19.000 0.267 0.000 1.106 22 A HN 0.498 nan 8.150 nan 0.000 0.493 23 V N 2.801 122.645 119.914 -0.116 0.000 2.585 23 V HA 0.124 4.246 4.120 0.004 0.000 0.296 23 V C -2.037 173.801 176.094 -0.426 0.000 1.035 23 V CA -0.735 61.405 62.300 -0.266 0.000 1.084 23 V CB 0.531 32.194 31.823 -0.267 0.000 0.953 23 V HN 0.736 nan 8.190 nan 0.000 0.483 24 P HA 0.113 nan 4.420 nan 0.000 0.261 24 P C 0.947 177.984 177.300 -0.438 0.000 1.183 24 P CA 1.533 64.066 63.100 -0.947 0.000 0.761 24 P CB 0.320 31.375 31.700 -1.075 0.000 0.785 25 G N 3.036 111.676 108.800 -0.266 0.000 2.168 25 G HA2 -0.324 3.639 3.960 0.004 0.000 0.263 25 G HA3 -0.324 3.639 3.960 0.004 0.000 0.263 25 G C 1.074 175.767 174.900 -0.344 0.000 0.977 25 G CA 0.603 45.569 45.100 -0.223 0.000 0.659 25 G HN 0.603 nan 8.290 nan 0.000 0.533 26 S N -1.791 113.625 115.700 -0.474 0.000 2.607 26 S HA 0.190 4.663 4.470 0.004 0.000 0.224 26 S C 0.614 174.512 174.600 -1.170 0.000 0.969 26 S CA 0.615 58.358 58.200 -0.760 0.000 0.927 26 S CB -0.270 62.425 63.200 -0.841 0.000 0.772 26 S HN 0.656 nan 8.310 nan 0.000 0.533 27 W N 1.991 122.924 121.300 -0.612 0.000 1.890 27 W HA 0.407 5.069 4.660 0.004 0.000 0.293 27 W C -2.087 173.826 176.519 -1.010 0.000 0.895 27 W CA -2.091 54.617 57.345 -1.063 0.000 1.968 27 W CB 1.112 30.091 29.460 -0.802 0.000 2.198 27 W HN 0.058 nan 8.180 nan 0.000 0.401 28 P HA -0.222 nan 4.420 nan 0.000 0.220 28 P C 0.869 178.030 177.300 -0.232 0.000 1.144 28 P CA 1.805 64.671 63.100 -0.389 0.000 0.800 28 P CB 0.052 31.575 31.700 -0.295 0.000 0.772 29 W N -0.219 121.084 121.300 0.004 0.000 2.863 29 W HA 0.318 4.981 4.660 0.004 0.000 0.258 29 W C 0.801 177.348 176.519 0.047 0.000 1.298 29 W CA -0.464 56.884 57.345 0.006 0.000 1.451 29 W CB -1.553 27.928 29.460 0.036 0.000 1.107 29 W HN -0.143 nan 8.180 nan 0.000 0.641 30 Q N 2.979 122.766 119.800 -0.021 0.000 2.271 30 Q HA 0.289 4.632 4.340 0.004 0.000 0.273 30 Q C -0.199 175.912 176.000 0.185 0.000 1.051 30 Q CA -0.041 55.810 55.803 0.080 0.000 0.901 30 Q CB 0.841 29.517 28.738 -0.103 0.000 1.174 30 Q HN 0.255 nan 8.270 nan 0.000 0.385 31 V N 0.894 120.951 119.914 0.238 0.000 3.046 31 V HA 0.831 4.954 4.120 0.004 0.000 0.316 31 V C -0.562 175.710 176.094 0.296 0.000 1.104 31 V CA -0.828 61.614 62.300 0.236 0.000 1.006 31 V CB 2.023 33.934 31.823 0.147 0.000 1.058 31 V HN 0.694 nan 8.190 nan 0.000 0.440 32 S N 2.140 117.931 115.700 0.152 0.000 2.449 32 S HA 0.706 5.178 4.470 0.004 0.000 0.310 32 S C -0.726 173.793 174.600 -0.135 0.000 1.096 32 S CA -0.724 57.503 58.200 0.044 0.000 1.095 32 S CB 0.548 63.596 63.200 -0.253 0.000 1.007 32 S HN 0.754 nan 8.310 nan 0.000 0.474 33 L N 5.025 126.022 121.223 -0.378 0.000 2.264 33 L HA 0.519 4.861 4.340 0.004 0.000 0.289 33 L C 0.104 176.559 176.870 -0.693 0.000 1.044 33 L CA -0.425 54.086 54.840 -0.548 0.000 0.807 33 L CB 1.183 42.749 42.059 -0.821 0.000 1.192 33 L HN 0.665 nan 8.230 nan 0.000 0.425 34 Q N 1.352 121.051 119.800 -0.168 0.000 2.433 34 Q HA 0.338 4.680 4.340 0.004 0.000 0.279 34 Q C -1.180 175.038 176.000 0.365 0.000 1.105 34 Q CA -1.081 54.791 55.803 0.116 0.000 0.815 34 Q CB 2.737 31.490 28.738 0.024 0.000 1.403 34 Q HN 0.628 nan 8.270 nan 0.000 0.435 35 D N -0.132 120.499 120.400 0.385 0.000 2.447 35 D HA 0.007 4.649 4.640 0.004 0.000 0.265 35 D C 0.659 177.039 176.300 0.134 0.000 1.250 35 D CA -0.474 53.657 54.000 0.219 0.000 1.046 35 D CB 0.569 41.444 40.800 0.125 0.000 1.095 35 D HN 0.589 nan 8.370 nan 0.000 0.555 36 K N -1.560 118.885 120.400 0.075 0.000 2.360 36 K HA -0.171 4.151 4.320 0.004 0.000 0.201 36 K C 1.377 178.007 176.600 0.050 0.000 1.046 36 K CA 1.671 57.988 56.287 0.049 0.000 0.940 36 K CB -0.777 31.736 32.500 0.023 0.000 0.748 36 K HN 0.548 nan 8.250 nan 0.000 0.465 37 T N -3.628 110.967 114.554 0.070 0.000 3.081 37 T HA 0.270 4.622 4.350 0.004 0.000 0.250 37 T C 1.342 176.094 174.700 0.086 0.000 1.100 37 T CA 0.272 62.413 62.100 0.068 0.000 1.038 37 T CB 0.364 69.273 68.868 0.068 0.000 0.962 37 T HN 0.475 nan 8.240 nan 0.000 0.516 38 G N 0.917 109.780 108.800 0.105 0.000 2.148 38 G HA2 -0.174 3.788 3.960 0.004 0.000 0.203 38 G HA3 -0.174 3.788 3.960 0.004 0.000 0.203 38 G C -0.244 174.719 174.900 0.105 0.000 0.993 38 G CA -0.238 44.906 45.100 0.072 0.000 0.661 38 G HN 0.608 nan 8.290 nan 0.000 0.518 39 F N 2.775 122.756 119.950 0.052 0.000 2.444 39 F HA 0.595 5.124 4.527 0.003 0.000 0.360 39 F C 0.884 176.772 175.800 0.146 0.000 1.106 39 F CA -0.980 57.070 58.000 0.083 0.000 1.170 39 F CB 0.373 39.422 39.000 0.081 0.000 1.113 39 F HN 0.299 nan 8.300 nan 0.000 0.521 40 H N 6.996 125.733 119.070 -0.554 0.000 2.899 40 H HA 0.157 4.715 4.556 0.004 0.000 0.303 40 H C 0.119 175.253 175.328 -0.324 0.000 1.042 40 H CA 0.259 56.049 56.048 -0.430 0.000 1.479 40 H CB 0.308 29.776 29.762 -0.490 0.000 1.493 40 H HN 0.620 nan 8.280 nan 0.000 0.534 41 F N 1.262 120.908 119.950 -0.506 0.000 2.784 41 F HA 0.439 4.968 4.527 0.003 0.000 0.323 41 F C -0.345 175.283 175.800 -0.288 0.000 1.085 41 F CA -0.736 57.143 58.000 -0.202 0.000 1.196 41 F CB -0.056 38.980 39.000 0.060 0.000 1.053 41 F HN 0.424 nan 8.300 nan 0.000 0.578 42 c N 0.265 118.218 118.600 -1.078 0.000 3.312 42 c HA 0.748 5.321 4.570 0.004 0.000 0.332 42 c C 0.525 174.303 174.090 -0.520 0.000 1.340 42 c CA -0.575 55.394 56.329 -0.600 0.000 1.265 42 c CB 1.194 43.442 42.510 -0.436 0.000 1.563 42 c HN 0.688 nan 8.230 nan 0.000 0.471 43 G N -0.211 108.523 108.800 -0.109 0.000 2.601 43 G HA2 0.853 4.815 3.960 0.004 0.000 0.317 43 G HA3 0.853 4.815 3.960 0.004 0.000 0.317 43 G C -0.366 174.544 174.900 0.018 0.000 1.246 43 G CA 0.143 45.291 45.100 0.080 0.000 1.012 43 G HN 1.459 nan 8.290 nan 0.000 0.494 44 G N -1.815 107.040 108.800 0.091 0.000 2.559 44 G HA2 0.533 4.495 3.960 0.004 0.000 0.291 44 G HA3 0.533 4.495 3.960 0.004 0.000 0.291 44 G C -1.446 173.548 174.900 0.156 0.000 1.424 44 G CA -0.288 44.868 45.100 0.093 0.000 0.786 44 G HN 0.888 nan 8.290 nan 0.000 0.485 45 S N -0.438 115.363 115.700 0.169 0.000 2.594 45 S HA 0.529 5.001 4.470 0.004 0.000 0.296 45 S C -0.348 174.385 174.600 0.222 0.000 1.124 45 S CA -0.496 57.841 58.200 0.229 0.000 1.011 45 S CB 1.456 64.756 63.200 0.166 0.000 1.016 45 S HN 0.560 nan 8.310 nan 0.000 0.485 46 L N 3.819 125.207 121.223 0.275 0.000 2.367 46 L HA 0.355 4.697 4.340 0.004 0.000 0.275 46 L C 1.220 178.247 176.870 0.261 0.000 1.129 46 L CA -0.029 54.980 54.840 0.281 0.000 0.839 46 L CB 0.425 42.658 42.059 0.290 0.000 1.133 46 L HN 0.783 nan 8.230 nan 0.000 0.453 47 I N -0.499 120.224 120.570 0.256 0.000 4.057 47 I HA 0.316 4.488 4.170 0.004 0.000 0.334 47 I C 0.039 176.295 176.117 0.231 0.000 1.308 47 I CA -0.199 61.210 61.300 0.182 0.000 1.125 47 I CB 0.208 38.270 38.000 0.105 0.000 1.034 47 I HN 0.749 nan 8.210 nan 0.000 0.401 48 N N -0.237 118.669 118.700 0.344 0.000 3.413 48 N HA 0.082 4.825 4.740 0.004 0.000 0.273 48 N C -0.349 175.341 175.510 0.299 0.000 1.458 48 N CA -0.624 52.610 53.050 0.306 0.000 0.860 48 N CB 0.489 39.070 38.487 0.157 0.000 1.556 48 N HN -0.110 nan 8.380 nan 0.000 0.475 49 E N -0.811 119.300 120.200 -0.149 0.000 2.409 49 E HA 0.105 4.458 4.350 0.004 0.000 0.198 49 E C 0.171 176.783 176.600 0.021 0.000 1.024 49 E CA 0.827 57.081 56.400 -0.242 0.000 0.861 49 E CB -0.204 29.160 29.700 -0.560 0.000 0.788 49 E HN 0.441 nan 8.360 nan 0.000 0.521 50 N N -1.175 117.583 118.700 0.097 0.000 2.181 50 N HA 0.066 4.809 4.740 0.004 0.000 0.207 50 N C -0.795 174.616 175.510 -0.164 0.000 1.182 50 N CA 0.124 53.161 53.050 -0.022 0.000 0.893 50 N CB 0.642 39.100 38.487 -0.047 0.000 1.032 50 N HN 0.064 nan 8.380 nan 0.000 0.513 51 W N 0.739 122.078 121.300 0.064 0.000 2.915 51 W HA 0.567 5.230 4.660 0.004 0.000 0.337 51 W C -0.578 176.003 176.519 0.102 0.000 1.102 51 W CA -0.552 56.832 57.345 0.065 0.000 1.224 51 W CB 1.278 30.744 29.460 0.010 0.000 1.416 51 W HN -0.434 nan 8.180 nan 0.000 0.503 52 V N 3.249 123.366 119.914 0.338 0.000 2.604 52 V HA 0.556 4.678 4.120 0.004 0.000 0.305 52 V C -0.894 175.353 176.094 0.256 0.000 1.043 52 V CA -1.200 61.252 62.300 0.253 0.000 0.888 52 V CB 1.837 33.767 31.823 0.178 0.000 0.995 52 V HN 0.341 nan 8.190 nan 0.000 0.429 53 V N 4.543 124.580 119.914 0.206 0.000 2.435 53 V HA 0.843 4.965 4.120 0.004 0.000 0.290 53 V C -0.042 176.137 176.094 0.141 0.000 1.030 53 V CA 0.553 62.968 62.300 0.191 0.000 0.881 53 V CB 1.825 33.743 31.823 0.159 0.000 0.983 53 V HN 1.104 nan 8.190 nan 0.000 0.445 54 T N 4.464 119.093 114.554 0.125 0.000 2.618 54 T HA 0.773 5.126 4.350 0.004 0.000 0.293 54 T C -0.566 174.144 174.700 0.016 0.000 1.093 54 T CA 0.103 62.237 62.100 0.056 0.000 1.061 54 T CB 1.585 70.467 68.868 0.024 0.000 1.498 54 T HN 1.256 nan 8.240 nan 0.000 0.494 55 A N 0.351 123.125 122.820 -0.077 0.000 2.316 55 A HA 0.741 5.063 4.320 0.004 0.000 0.284 55 A C 1.436 178.867 177.584 -0.255 0.000 1.115 55 A CA 0.235 52.176 52.037 -0.159 0.000 0.812 55 A CB 0.338 19.167 19.000 -0.285 0.000 1.064 55 A HN 1.167 nan 8.150 nan 0.000 0.489 56 A N 0.897 123.526 122.820 -0.319 0.000 1.930 56 A HA -0.124 4.199 4.320 0.004 0.000 0.217 56 A C 1.760 179.020 177.584 -0.540 0.000 1.175 56 A CA 1.683 53.419 52.037 -0.501 0.000 0.627 56 A CB -0.978 17.478 19.000 -0.907 0.000 0.815 56 A HN 1.077 nan 8.150 nan 0.000 0.443 57 H N -1.761 117.040 119.070 -0.449 0.000 2.545 57 H HA -0.051 4.508 4.556 0.004 0.000 0.282 57 H C 1.685 176.994 175.328 -0.031 0.000 1.020 57 H CA 1.247 57.183 56.048 -0.186 0.000 1.243 57 H CB -0.822 28.936 29.762 -0.006 0.000 1.377 57 H HN 0.405 nan 8.280 nan 0.000 0.581 58 c N 1.083 119.443 118.600 -0.401 0.000 2.437 58 c HA 0.111 4.684 4.570 0.004 0.000 0.283 58 c C 2.036 176.164 174.090 0.064 0.000 1.424 58 c CA 0.930 57.207 56.329 -0.087 0.000 1.782 58 c CB -1.234 41.245 42.510 -0.052 0.000 1.833 58 c HN 0.917 nan 8.230 nan 0.000 0.532 59 G N 1.017 109.806 108.800 -0.018 0.000 2.305 59 G HA2 -0.223 3.739 3.960 0.004 0.000 0.287 59 G HA3 -0.223 3.739 3.960 0.004 0.000 0.287 59 G C 0.077 174.973 174.900 -0.007 0.000 1.036 59 G CA 0.360 45.447 45.100 -0.021 0.000 0.887 59 G HN 0.440 nan 8.290 nan 0.000 0.505 60 V N 0.719 120.687 119.914 0.090 0.000 2.763 60 V HA 0.517 4.639 4.120 0.004 0.000 0.306 60 V C 1.212 177.338 176.094 0.054 0.000 1.059 60 V CA 0.846 63.235 62.300 0.149 0.000 1.138 60 V CB 1.037 32.981 31.823 0.201 0.000 0.940 60 V HN 0.980 nan 8.190 nan 0.000 0.489 61 T N -0.525 114.052 114.554 0.038 0.000 2.888 61 T HA 0.330 4.683 4.350 0.004 0.000 0.288 61 T C 0.938 175.648 174.700 0.016 0.000 1.063 61 T CA 0.083 62.185 62.100 0.003 0.000 1.010 61 T CB 1.589 70.439 68.868 -0.030 0.000 1.214 61 T HN 0.757 nan 8.240 nan 0.000 0.533 62 T N -1.709 112.841 114.554 -0.007 0.000 3.155 62 T HA 0.000 4.353 4.350 0.004 0.000 0.264 62 T C 1.827 176.528 174.700 0.002 0.000 1.160 62 T CA 1.037 63.133 62.100 -0.007 0.000 1.075 62 T CB -0.441 68.412 68.868 -0.026 0.000 0.921 62 T HN 0.596 nan 8.240 nan 0.000 0.533 63 S N 0.579 116.281 115.700 0.003 0.000 2.501 63 S HA 0.065 4.537 4.470 0.004 0.000 0.220 63 S C 0.469 175.087 174.600 0.031 0.000 0.997 63 S CA -0.299 57.904 58.200 0.005 0.000 0.919 63 S CB -0.291 62.901 63.200 -0.014 0.000 0.778 63 S HN 0.504 nan 8.310 nan 0.000 0.523 64 D N 1.337 121.774 120.400 0.061 0.000 2.383 64 D HA 0.401 5.043 4.640 0.004 0.000 0.248 64 D C 0.044 176.406 176.300 0.103 0.000 1.170 64 D CA -0.051 54.029 54.000 0.133 0.000 0.977 64 D CB 1.660 42.621 40.800 0.268 0.000 1.120 64 D HN 0.258 nan 8.370 nan 0.000 0.481 65 V N -2.443 117.536 119.914 0.108 0.000 2.914 65 V HA 0.605 4.727 4.120 0.004 0.000 0.314 65 V C -0.404 175.708 176.094 0.030 0.000 1.084 65 V CA -0.927 61.407 62.300 0.056 0.000 0.963 65 V CB 1.811 33.658 31.823 0.040 0.000 1.025 65 V HN 0.200 nan 8.190 nan 0.000 0.432 66 V N 3.461 123.388 119.914 0.023 0.000 2.370 66 V HA 0.460 4.583 4.120 0.004 0.000 0.279 66 V C -0.063 176.041 176.094 0.017 0.000 1.029 66 V CA -0.359 61.951 62.300 0.017 0.000 0.870 66 V CB 1.520 33.368 31.823 0.042 0.000 0.984 66 V HN 0.763 nan 8.190 nan 0.000 0.451 67 V N 5.183 125.097 119.914 0.000 0.000 2.328 67 V HA 0.728 4.850 4.120 0.004 0.000 0.278 67 V C 0.458 176.574 176.094 0.037 0.000 1.021 67 V CA -0.364 61.934 62.300 -0.003 0.000 0.838 67 V CB 1.276 33.060 31.823 -0.065 0.000 0.999 67 V HN 0.959 nan 8.190 nan 0.000 0.447 68 A N 3.416 126.270 122.820 0.057 0.000 2.320 68 A HA 0.799 5.121 4.320 0.004 0.000 0.334 68 A C 1.124 178.751 177.584 0.072 0.000 1.147 68 A CA 0.063 52.149 52.037 0.082 0.000 0.820 68 A CB 1.100 20.154 19.000 0.089 0.000 1.218 68 A HN 1.975 nan 8.150 nan 0.000 0.482 69 G N -0.060 108.786 108.800 0.076 0.000 2.153 69 G HA2 -0.212 3.750 3.960 0.004 0.000 0.252 69 G HA3 -0.212 3.750 3.960 0.004 0.000 0.252 69 G C 0.080 175.048 174.900 0.112 0.000 0.994 69 G CA 0.706 45.845 45.100 0.064 0.000 0.698 69 G HN 1.062 nan 8.290 nan 0.000 0.521 70 E N -1.289 119.017 120.200 0.177 0.000 2.277 70 E HA 0.710 5.063 4.350 0.004 0.000 0.274 70 E C 0.613 177.492 176.600 0.466 0.000 1.022 70 E CA -0.903 55.631 56.400 0.223 0.000 0.853 70 E CB 0.557 30.288 29.700 0.051 0.000 1.086 70 E HN 0.258 nan 8.360 nan 0.000 0.397 71 F N 2.152 122.253 119.950 0.252 0.000 2.212 71 F HA 0.266 4.796 4.527 0.005 0.000 0.262 71 F C -0.191 175.811 175.800 0.337 0.000 0.906 71 F CA -0.143 58.024 58.000 0.279 0.000 1.127 71 F CB 0.570 39.630 39.000 0.100 0.000 1.178 71 F HN 0.408 nan 8.300 nan 0.000 0.779 72 D N 1.562 121.925 120.400 -0.061 0.000 2.443 72 D HA 0.180 4.823 4.640 0.004 0.000 0.221 72 D C 0.417 176.641 176.300 -0.126 0.000 1.097 72 D CA 0.047 53.928 54.000 -0.198 0.000 0.865 72 D CB 1.379 42.148 40.800 -0.052 0.000 1.034 72 D HN 0.434 nan 8.370 nan 0.000 0.511 73 Q N 1.764 121.427 119.800 -0.228 0.000 2.437 73 Q HA -0.001 4.341 4.340 0.004 0.000 0.210 73 Q C 1.556 177.444 176.000 -0.186 0.000 0.972 73 Q CA 0.663 56.280 55.803 -0.309 0.000 0.903 73 Q CB 0.412 28.817 28.738 -0.555 0.000 0.967 73 Q HN 0.518 nan 8.270 nan 0.000 0.486 74 G N 0.188 108.909 108.800 -0.132 0.000 2.880 74 G HA2 -0.046 3.916 3.960 0.004 0.000 0.209 74 G HA3 -0.046 3.916 3.960 0.004 0.000 0.209 74 G C 0.338 175.208 174.900 -0.050 0.000 1.157 74 G CA -0.172 44.878 45.100 -0.083 0.000 0.779 74 G HN 0.126 nan 8.290 nan 0.000 0.539 75 S N 0.688 116.362 115.700 -0.042 0.000 2.411 75 S HA 0.350 4.822 4.470 0.004 0.000 0.294 75 S C 1.726 176.316 174.600 -0.016 0.000 1.115 75 S CA 0.154 58.347 58.200 -0.011 0.000 1.071 75 S CB 0.941 64.154 63.200 0.022 0.000 0.967 75 S HN 0.316 nan 8.310 nan 0.000 0.488 76 S N 3.566 119.258 115.700 -0.012 0.000 2.461 76 S HA -0.081 4.391 4.470 0.004 0.000 0.228 76 S C 1.805 176.403 174.600 -0.003 0.000 1.005 76 S CA 0.869 59.062 58.200 -0.012 0.000 0.942 76 S CB -0.416 62.779 63.200 -0.009 0.000 0.776 76 S HN 0.821 nan 8.310 nan 0.000 0.514 77 S N 0.812 116.515 115.700 0.005 0.000 2.458 77 S HA 0.108 4.581 4.470 0.004 0.000 0.223 77 S C 0.625 175.234 174.600 0.016 0.000 1.019 77 S CA -0.229 57.977 58.200 0.010 0.000 0.937 77 S CB -0.657 62.550 63.200 0.012 0.000 0.788 77 S HN 0.640 nan 8.310 nan 0.000 0.511 78 E N 2.174 122.387 120.200 0.023 0.000 2.608 78 E HA -0.026 4.327 4.350 0.004 0.000 0.259 78 E C -0.736 175.881 176.600 0.027 0.000 0.951 78 E CA 0.277 56.700 56.400 0.037 0.000 0.945 78 E CB 0.379 30.114 29.700 0.058 0.000 0.916 78 E HN 0.373 nan 8.360 nan 0.000 0.477 79 K N 5.374 125.791 120.400 0.029 0.000 2.339 79 K HA 0.281 4.604 4.320 0.004 0.000 0.286 79 K C 0.120 176.738 176.600 0.029 0.000 1.050 79 K CA 0.001 56.303 56.287 0.024 0.000 0.956 79 K CB 0.367 32.879 32.500 0.021 0.000 0.990 79 K HN 0.411 nan 8.250 nan 0.000 0.475 80 I N -1.316 119.268 120.570 0.024 0.000 3.354 80 I HA 0.340 4.513 4.170 0.004 0.000 0.316 80 I C -1.317 174.816 176.117 0.027 0.000 1.182 80 I CA -1.350 59.966 61.300 0.027 0.000 0.942 80 I CB 2.114 40.122 38.000 0.013 0.000 1.299 80 I HN 0.369 nan 8.210 nan 0.000 0.473 81 Q N 1.755 121.574 119.800 0.033 0.000 2.339 81 Q HA 0.427 4.770 4.340 0.004 0.000 0.268 81 Q C -1.437 174.581 176.000 0.031 0.000 1.027 81 Q CA -0.710 55.116 55.803 0.038 0.000 0.759 81 Q CB 2.391 31.164 28.738 0.058 0.000 1.244 81 Q HN 0.410 nan 8.270 nan 0.000 0.464 82 K N 3.585 123.998 120.400 0.021 0.000 2.250 82 K HA 0.340 4.662 4.320 0.004 0.000 0.280 82 K C -0.711 175.902 176.600 0.022 0.000 1.098 82 K CA -0.138 56.158 56.287 0.016 0.000 0.916 82 K CB 0.584 33.090 32.500 0.009 0.000 1.209 82 K HN 0.380 nan 8.250 nan 0.000 0.461 83 L N 3.717 124.956 121.223 0.026 0.000 2.282 83 L HA 0.339 4.681 4.340 0.004 0.000 0.288 83 L C 0.237 177.118 176.870 0.017 0.000 1.033 83 L CA -0.799 54.056 54.840 0.025 0.000 0.807 83 L CB 1.048 43.130 42.059 0.038 0.000 1.209 83 L HN 0.353 nan 8.230 nan 0.000 0.423 84 K N 3.330 123.734 120.400 0.008 0.000 2.258 84 K HA 0.450 4.772 4.320 0.004 0.000 0.264 84 K C -0.572 176.023 176.600 -0.008 0.000 1.007 84 K CA -0.280 56.009 56.287 0.003 0.000 0.941 84 K CB 1.172 33.670 32.500 -0.002 0.000 0.966 84 K HN 0.443 nan 8.250 nan 0.000 0.480 85 I N 2.175 122.741 120.570 -0.005 0.000 2.321 85 I HA 0.084 4.256 4.170 0.004 0.000 0.291 85 I C 0.896 176.992 176.117 -0.036 0.000 0.998 85 I CA -0.134 61.155 61.300 -0.019 0.000 1.227 85 I CB 1.711 39.716 38.000 0.008 0.000 1.368 85 I HN 0.784 nan 8.210 nan 0.000 0.466 86 A N 6.135 128.916 122.820 -0.064 0.000 1.903 86 A HA 0.090 4.412 4.320 0.004 0.000 0.213 86 A C 0.924 178.467 177.584 -0.068 0.000 1.185 86 A CA 1.072 53.071 52.037 -0.063 0.000 0.628 86 A CB 0.208 19.161 19.000 -0.079 0.000 0.830 86 A HN 0.698 nan 8.150 nan 0.000 0.446 87 K N -1.113 119.241 120.400 -0.077 0.000 2.542 87 K HA 0.530 4.853 4.320 0.004 0.000 0.259 87 K C -2.083 174.447 176.600 -0.117 0.000 0.932 87 K CA -0.542 55.661 56.287 -0.141 0.000 0.820 87 K CB 2.265 34.646 32.500 -0.198 0.000 1.345 87 K HN -0.043 nan 8.250 nan 0.000 0.432 88 V N 4.158 123.951 119.914 -0.201 0.000 2.398 88 V HA 0.477 4.599 4.120 0.004 0.000 0.286 88 V C -1.028 174.969 176.094 -0.161 0.000 1.026 88 V CA -0.555 61.718 62.300 -0.046 0.000 0.868 88 V CB 0.929 32.750 31.823 -0.004 0.000 0.982 88 V HN 0.567 nan 8.190 nan 0.000 0.443 89 F N 3.956 124.039 119.950 0.222 0.000 2.307 89 F HA 0.440 4.969 4.527 0.004 0.000 0.369 89 F C 0.445 176.484 175.800 0.399 0.000 1.076 89 F CA -0.600 57.586 58.000 0.309 0.000 1.149 89 F CB 1.032 40.239 39.000 0.345 0.000 1.410 89 F HN 0.331 nan 8.300 nan 0.000 0.481 90 K N 2.629 123.245 120.400 0.359 0.000 2.276 90 K HA 0.121 4.443 4.320 0.004 0.000 0.283 90 K C 0.295 177.025 176.600 0.217 0.000 1.044 90 K CA -0.571 55.849 56.287 0.222 0.000 0.944 90 K CB 0.553 33.108 32.500 0.093 0.000 1.012 90 K HN 0.417 nan 8.250 nan 0.000 0.472 91 N N 2.374 121.005 118.700 -0.115 0.000 2.411 91 N HA -0.094 4.649 4.740 0.004 0.000 0.265 91 N C 0.731 176.174 175.510 -0.113 0.000 1.266 91 N CA 0.423 53.178 53.050 -0.493 0.000 0.889 91 N CB 0.913 38.740 38.487 -1.099 0.000 1.069 91 N HN 0.726 nan 8.380 nan 0.000 0.476 92 S N 3.453 119.161 115.700 0.014 0.000 2.469 92 S HA -0.071 4.402 4.470 0.004 0.000 0.238 92 S C 1.113 175.722 174.600 0.015 0.000 0.998 92 S CA 0.877 59.114 58.200 0.060 0.000 0.957 92 S CB 0.012 63.276 63.200 0.106 0.000 0.764 92 S HN 0.623 nan 8.310 nan 0.000 0.514 93 K N 0.066 120.434 120.400 -0.054 0.000 2.404 93 K HA 0.140 4.463 4.320 0.004 0.000 0.194 93 K C -0.110 176.469 176.600 -0.034 0.000 1.023 93 K CA -0.344 55.912 56.287 -0.051 0.000 1.094 93 K CB -0.043 32.410 32.500 -0.079 0.000 0.841 93 K HN 0.521 nan 8.250 nan 0.000 0.523 94 Y N 2.791 123.017 120.300 -0.123 0.000 2.721 94 Y HA -0.081 4.471 4.550 0.004 0.000 0.329 94 Y C 0.001 175.866 175.900 -0.058 0.000 1.211 94 Y CA -0.418 57.628 58.100 -0.090 0.000 1.512 94 Y CB 0.061 38.477 38.460 -0.073 0.000 1.249 94 Y HN -0.043 nan 8.280 nan 0.000 0.549 95 N N 4.026 122.318 118.700 -0.680 0.000 2.485 95 N HA 0.024 4.766 4.740 0.004 0.000 0.243 95 N C 0.437 175.385 175.510 -0.937 0.000 0.987 95 N CA 0.420 53.114 53.050 -0.594 0.000 0.940 95 N CB 1.028 39.320 38.487 -0.325 0.000 1.122 95 N HN 0.790 nan 8.380 nan 0.000 0.509 96 S N 3.181 118.434 115.700 -0.745 0.000 2.547 96 S HA -0.015 4.458 4.470 0.004 0.000 0.235 96 S C 1.609 176.031 174.600 -0.298 0.000 0.980 96 S CA 0.379 58.279 58.200 -0.500 0.000 0.941 96 S CB -0.061 63.041 63.200 -0.163 0.000 0.763 96 S HN 0.583 nan 8.310 nan 0.000 0.532 97 L N 1.107 122.155 121.223 -0.292 0.000 2.269 97 L HA 0.110 4.453 4.340 0.004 0.000 0.200 97 L C 2.883 179.599 176.870 -0.257 0.000 1.069 97 L CA 1.237 55.945 54.840 -0.220 0.000 0.804 97 L CB -0.950 41.010 42.059 -0.166 0.000 0.987 97 L HN 0.496 nan 8.230 nan 0.000 0.468 98 T N -3.121 111.271 114.554 -0.269 0.000 3.065 98 T HA 0.185 4.538 4.350 0.004 0.000 0.252 98 T C 1.195 175.703 174.700 -0.319 0.000 1.099 98 T CA 0.059 62.000 62.100 -0.266 0.000 1.063 98 T CB 0.095 68.858 68.868 -0.175 0.000 0.948 98 T HN 0.266 nan 8.240 nan 0.000 0.506 99 I N -0.428 119.946 120.570 -0.327 0.000 5.582 99 I HA -0.239 3.934 4.170 0.004 0.000 0.139 99 I C 0.174 176.297 176.117 0.011 0.000 1.814 99 I CA 0.108 61.296 61.300 -0.186 0.000 2.037 99 I CB -2.579 35.225 38.000 -0.328 0.000 3.362 99 I HN 0.311 nan 8.210 nan 0.000 0.169 100 N N 2.590 121.248 118.700 -0.071 0.000 2.503 100 N HA 0.215 4.957 4.740 0.004 0.000 0.267 100 N C 0.601 176.155 175.510 0.073 0.000 1.214 100 N CA 0.556 53.622 53.050 0.027 0.000 0.959 100 N CB 0.354 38.832 38.487 -0.016 0.000 1.142 100 N HN 0.246 nan 8.380 nan 0.000 0.455 101 N N 0.574 119.327 118.700 0.089 0.000 2.758 101 N HA -0.219 4.524 4.740 0.004 0.000 0.248 101 N C -1.306 174.300 175.510 0.159 0.000 1.076 101 N CA 0.469 53.554 53.050 0.058 0.000 0.696 101 N CB -1.212 37.265 38.487 -0.017 0.000 0.979 101 N HN 0.621 nan 8.380 nan 0.000 0.550 102 D N 1.227 121.755 120.400 0.214 0.000 2.608 102 D HA 0.403 5.045 4.640 0.004 0.000 0.224 102 D C 0.036 176.340 176.300 0.006 0.000 1.123 102 D CA 0.085 54.193 54.000 0.180 0.000 1.030 102 D CB -0.243 40.736 40.800 0.299 0.000 1.093 102 D HN 0.509 nan 8.370 nan 0.000 0.497 103 I N 0.701 121.209 120.570 -0.104 0.000 2.752 103 I HA 0.384 4.556 4.170 0.004 0.000 0.295 103 I C -1.301 174.757 176.117 -0.098 0.000 1.219 103 I CA -0.289 60.965 61.300 -0.077 0.000 1.030 103 I CB 2.222 40.198 38.000 -0.040 0.000 1.259 103 I HN -0.071 nan 8.210 nan 0.000 0.423 104 T N 6.940 121.549 114.554 0.092 0.000 2.933 104 T HA 0.541 4.894 4.350 0.004 0.000 0.305 104 T C -1.015 173.918 174.700 0.389 0.000 1.092 104 T CA -0.445 61.803 62.100 0.246 0.000 1.008 104 T CB 1.766 70.702 68.868 0.112 0.000 1.102 104 T HN 0.345 nan 8.240 nan 0.000 0.469 105 L N 3.126 124.689 121.223 0.565 0.000 2.325 105 L HA 0.655 4.997 4.340 0.004 0.000 0.278 105 L C -0.859 176.328 176.870 0.528 0.000 1.023 105 L CA -0.954 54.194 54.840 0.514 0.000 0.811 105 L CB 1.316 43.639 42.059 0.440 0.000 1.249 105 L HN 0.382 nan 8.230 nan 0.000 0.431 106 L N 3.611 125.081 121.223 0.412 0.000 2.325 106 L HA 0.479 4.822 4.340 0.004 0.000 0.281 106 L C -0.324 176.556 176.870 0.016 0.000 1.004 106 L CA -0.543 54.438 54.840 0.235 0.000 0.823 106 L CB 1.702 43.849 42.059 0.147 0.000 1.236 106 L HN 0.498 nan 8.230 nan 0.000 0.415 107 K N 4.528 124.792 120.400 -0.228 0.000 2.234 107 K HA 0.518 4.840 4.320 0.004 0.000 0.277 107 K C -0.632 175.740 176.600 -0.379 0.000 1.038 107 K CA -0.578 55.229 56.287 -0.799 0.000 0.888 107 K CB 0.884 32.792 32.500 -0.988 0.000 1.091 107 K HN 0.537 nan 8.250 nan 0.000 0.467 108 L N 3.045 124.064 121.223 -0.341 0.000 2.439 108 L HA 0.062 4.405 4.340 0.004 0.000 0.269 108 L C 1.468 178.252 176.870 -0.143 0.000 1.179 108 L CA -0.307 54.435 54.840 -0.163 0.000 0.828 108 L CB 1.312 43.314 42.059 -0.095 0.000 1.106 108 L HN 0.797 nan 8.230 nan 0.000 0.467 109 S N -0.015 115.636 115.700 -0.081 0.000 2.345 109 S HA -0.073 4.400 4.470 0.004 0.000 0.220 109 S C 0.724 175.294 174.600 -0.050 0.000 1.031 109 S CA 1.417 59.581 58.200 -0.060 0.000 0.996 109 S CB -0.082 63.097 63.200 -0.035 0.000 0.882 109 S HN 0.878 nan 8.310 nan 0.000 0.445 110 T N -0.152 114.381 114.554 -0.036 0.000 2.841 110 T HA 0.790 5.143 4.350 0.004 0.000 0.283 110 T C -0.389 174.300 174.700 -0.019 0.000 1.000 110 T CA -0.793 61.293 62.100 -0.023 0.000 0.977 110 T CB 1.781 70.644 68.868 -0.007 0.000 0.979 110 T HN 0.243 nan 8.240 nan 0.000 0.446 111 A N 2.426 125.233 122.820 -0.021 0.000 2.507 111 A HA 0.613 4.935 4.320 0.004 0.000 0.235 111 A C 0.939 178.540 177.584 0.028 0.000 1.070 111 A CA -0.169 51.859 52.037 -0.015 0.000 0.768 111 A CB -0.636 18.339 19.000 -0.042 0.000 1.011 111 A HN 1.568 nan 8.150 nan 0.000 0.502 112 A N 1.579 124.447 122.820 0.080 0.000 2.340 112 A HA 0.534 4.857 4.320 0.004 0.000 0.268 112 A C 0.537 178.238 177.584 0.196 0.000 1.100 112 A CA -0.187 51.954 52.037 0.173 0.000 0.803 112 A CB 0.076 19.263 19.000 0.313 0.000 1.043 112 A HN 0.933 nan 8.150 nan 0.000 0.488 113 S N 2.233 118.051 115.700 0.197 0.000 2.409 113 S HA 0.405 4.877 4.470 0.004 0.000 0.308 113 S C -0.402 174.398 174.600 0.334 0.000 1.080 113 S CA -0.249 58.064 58.200 0.189 0.000 1.081 113 S CB -0.468 62.799 63.200 0.113 0.000 1.009 113 S HN 0.419 nan 8.310 nan 0.000 0.502 114 F N 3.154 123.134 119.950 0.050 0.000 2.553 114 F HA 0.369 4.898 4.527 0.004 0.000 0.356 114 F C 1.441 177.267 175.800 0.043 0.000 1.142 114 F CA -0.437 57.597 58.000 0.057 0.000 1.322 114 F CB 0.379 39.419 39.000 0.067 0.000 1.126 114 F HN 0.651 nan 8.300 nan 0.000 0.599 115 S N 1.223 117.001 115.700 0.129 0.000 2.815 115 S HA 0.187 4.660 4.470 0.004 0.000 0.296 115 S C 0.479 175.081 174.600 0.003 0.000 1.224 115 S CA -0.587 57.653 58.200 0.067 0.000 0.938 115 S CB 1.280 64.510 63.200 0.050 0.000 1.285 115 S HN 0.563 nan 8.310 nan 0.000 0.549 116 Q N 0.459 120.254 119.800 -0.010 0.000 2.226 116 Q HA -0.090 4.252 4.340 0.004 0.000 0.204 116 Q C 1.411 177.361 176.000 -0.083 0.000 0.975 116 Q CA 2.118 57.897 55.803 -0.041 0.000 0.866 116 Q CB -0.419 28.294 28.738 -0.041 0.000 0.915 116 Q HN 0.905 nan 8.270 nan 0.000 0.440 117 T N -3.593 110.915 114.554 -0.077 0.000 3.044 117 T HA 0.334 4.687 4.350 0.004 0.000 0.260 117 T C -0.068 174.562 174.700 -0.117 0.000 1.019 117 T CA -0.372 61.667 62.100 -0.103 0.000 0.921 117 T CB 0.869 69.698 68.868 -0.065 0.000 1.053 117 T HN -0.033 nan 8.240 nan 0.000 0.533 118 V N 2.497 122.327 119.914 -0.140 0.000 2.488 118 V HA 0.742 4.864 4.120 0.004 0.000 0.293 118 V C -0.510 175.239 176.094 -0.575 0.000 1.027 118 V CA -0.447 61.713 62.300 -0.233 0.000 0.862 118 V CB 1.348 33.111 31.823 -0.100 0.000 1.008 118 V HN 0.703 nan 8.190 nan 0.000 0.428 119 S N 3.375 118.659 115.700 -0.694 0.000 2.727 119 S HA 0.948 5.421 4.470 0.004 0.000 0.278 119 S C -0.542 173.804 174.600 -0.423 0.000 1.186 119 S CA -0.313 57.260 58.200 -1.046 0.000 0.836 119 S CB 1.864 64.888 63.200 -0.293 0.000 1.186 119 S HN 1.366 nan 8.310 nan 0.000 0.499 120 A N 0.160 122.976 122.820 -0.007 0.000 2.282 120 A HA 0.836 5.158 4.320 0.004 0.000 0.319 120 A C -0.134 177.586 177.584 0.226 0.000 1.121 120 A CA -0.751 51.446 52.037 0.267 0.000 0.836 120 A CB 1.121 20.356 19.000 0.391 0.000 1.146 120 A HN 1.438 nan 8.150 nan 0.000 0.494 121 V N 0.879 120.779 119.914 -0.024 0.000 2.716 121 V HA 0.414 4.537 4.120 0.004 0.000 0.304 121 V C 0.157 176.106 176.094 -0.242 0.000 1.053 121 V CA -0.629 61.330 62.300 -0.569 0.000 0.984 121 V CB 1.094 32.277 31.823 -1.067 0.000 1.021 121 V HN 1.034 nan 8.190 nan 0.000 0.467 122 c N 5.603 124.065 118.600 -0.231 0.000 2.534 122 c HA 0.501 5.074 4.570 0.004 0.000 0.385 122 c C 0.198 174.235 174.090 -0.089 0.000 1.264 122 c CA -0.722 55.552 56.329 -0.091 0.000 2.342 122 c CB 0.048 42.533 42.510 -0.041 0.000 2.564 122 c HN 0.750 nan 8.230 nan 0.000 0.603 123 L N 4.407 125.607 121.223 -0.039 0.000 2.325 123 L HA 0.486 4.829 4.340 0.004 0.000 0.278 123 L C -1.738 175.142 176.870 0.017 0.000 1.023 123 L CA -1.238 53.588 54.840 -0.024 0.000 0.811 123 L CB 1.545 43.591 42.059 -0.022 0.000 1.249 123 L HN 0.511 nan 8.230 nan 0.000 0.431 124 P HA 0.230 nan 4.420 nan 0.000 0.279 124 P C -0.944 176.409 177.300 0.088 0.000 1.276 124 P CA -0.518 62.660 63.100 0.130 0.000 0.801 124 P CB 1.219 33.059 31.700 0.233 0.000 1.127 125 S N -0.463 115.291 115.700 0.090 0.000 2.585 125 S HA 0.373 4.845 4.470 0.004 0.000 0.277 125 S C 1.519 176.158 174.600 0.065 0.000 1.241 125 S CA -0.120 58.109 58.200 0.049 0.000 1.041 125 S CB 1.127 64.339 63.200 0.021 0.000 0.987 125 S HN 0.572 nan 8.310 nan 0.000 0.512 126 A N 2.122 124.971 122.820 0.049 0.000 2.032 126 A HA -0.123 4.199 4.320 0.004 0.000 0.221 126 A C 2.032 179.646 177.584 0.051 0.000 1.165 126 A CA 2.002 54.073 52.037 0.056 0.000 0.645 126 A CB -0.784 18.243 19.000 0.044 0.000 0.807 126 A HN 0.856 nan 8.150 nan 0.000 0.453 127 S N -0.618 115.101 115.700 0.031 0.000 2.575 127 S HA 0.080 4.553 4.470 0.004 0.000 0.215 127 S C -0.011 174.584 174.600 -0.008 0.000 0.966 127 S CA -0.305 57.902 58.200 0.013 0.000 0.911 127 S CB -0.228 62.970 63.200 -0.003 0.000 0.780 127 S HN 0.412 nan 8.310 nan 0.000 0.514 128 D N 2.996 123.398 120.400 0.003 0.000 2.472 128 D HA 0.210 4.853 4.640 0.004 0.000 0.237 128 D C -0.667 175.569 176.300 -0.107 0.000 1.141 128 D CA 0.732 54.675 54.000 -0.095 0.000 0.875 128 D CB 0.769 41.553 40.800 -0.027 0.000 1.192 128 D HN 0.377 nan 8.370 nan 0.000 0.450 129 D N 1.521 121.750 120.400 -0.285 0.000 2.454 129 D HA 0.195 4.837 4.640 0.004 0.000 0.247 129 D C -1.227 174.887 176.300 -0.310 0.000 1.129 129 D CA -0.552 53.344 54.000 -0.174 0.000 0.877 129 D CB -0.013 40.722 40.800 -0.108 0.000 1.082 129 D HN 0.038 nan 8.370 nan 0.000 0.537 130 F N 2.695 122.639 119.950 -0.011 0.000 2.350 130 F HA 0.512 5.042 4.527 0.004 0.000 0.365 130 F C 1.100 176.893 175.800 -0.012 0.000 1.122 130 F CA -0.904 57.087 58.000 -0.015 0.000 1.139 130 F CB 0.963 39.951 39.000 -0.019 0.000 1.220 130 F HN 0.334 nan 8.300 nan 0.000 0.499 131 A N 2.634 125.504 122.820 0.084 0.000 2.483 131 A HA 0.533 4.856 4.320 0.004 0.000 0.238 131 A C 0.465 178.089 177.584 0.067 0.000 1.070 131 A CA -0.191 51.879 52.037 0.055 0.000 0.770 131 A CB -0.067 18.944 19.000 0.019 0.000 1.008 131 A HN 0.897 nan 8.150 nan 0.000 0.497 132 A N 0.754 123.603 122.820 0.048 0.000 2.498 132 A HA 0.506 4.829 4.320 0.004 0.000 0.239 132 A C 1.599 179.203 177.584 0.033 0.000 1.068 132 A CA 0.761 52.822 52.037 0.040 0.000 0.766 132 A CB -0.534 18.486 19.000 0.035 0.000 1.003 132 A HN 2.752 nan 8.150 nan 0.000 0.497 133 G N 1.450 110.267 108.800 0.028 0.000 2.213 133 G HA2 -0.208 3.755 3.960 0.004 0.000 0.236 133 G HA3 -0.208 3.755 3.960 0.004 0.000 0.236 133 G C 0.508 175.426 174.900 0.029 0.000 0.991 133 G CA 0.350 45.464 45.100 0.024 0.000 0.629 133 G HN 1.214 nan 8.290 nan 0.000 0.517 134 T N 2.593 117.171 114.554 0.041 0.000 2.902 134 T HA 0.429 4.782 4.350 0.004 0.000 0.301 134 T C 0.597 175.325 174.700 0.045 0.000 1.012 134 T CA 1.040 63.172 62.100 0.054 0.000 1.151 134 T CB 1.007 69.932 68.868 0.095 0.000 0.946 134 T HN 0.245 nan 8.240 nan 0.000 0.542 135 T N 4.422 119.008 114.554 0.053 0.000 2.727 135 T HA 0.331 4.684 4.350 0.004 0.000 0.295 135 T C 0.381 175.139 174.700 0.096 0.000 0.915 135 T CA -0.540 61.597 62.100 0.061 0.000 1.066 135 T CB -0.310 68.600 68.868 0.070 0.000 0.891 135 T HN 0.682 nan 8.240 nan 0.000 0.516 136 c N 2.976 121.613 118.600 0.062 0.000 2.857 136 c HA 0.884 5.457 4.570 0.004 0.000 0.397 136 c C 0.117 174.232 174.090 0.042 0.000 1.558 136 c CA -0.675 55.709 56.329 0.091 0.000 1.694 136 c CB 1.445 43.938 42.510 -0.027 0.000 2.120 136 c HN 0.581 nan 8.230 nan 0.000 0.475 137 V N 0.190 120.083 119.914 -0.036 0.000 2.841 137 V HA 0.709 4.831 4.120 0.004 0.000 0.310 137 V C -0.323 175.561 176.094 -0.350 0.000 1.090 137 V CA -0.153 62.017 62.300 -0.217 0.000 0.930 137 V CB 1.992 33.587 31.823 -0.379 0.000 1.014 137 V HN 0.972 nan 8.190 nan 0.000 0.425 138 T N 2.253 116.603 114.554 -0.340 0.000 2.893 138 T HA 0.826 5.179 4.350 0.004 0.000 0.291 138 T C -0.516 173.946 174.700 -0.397 0.000 1.028 138 T CA 0.037 61.953 62.100 -0.307 0.000 0.995 138 T CB 1.670 70.461 68.868 -0.128 0.000 1.051 138 T HN 1.090 nan 8.240 nan 0.000 0.470 139 T N 0.156 114.467 114.554 -0.405 0.000 2.883 139 T HA 0.933 5.285 4.350 0.004 0.000 0.296 139 T C 0.001 174.500 174.700 -0.335 0.000 1.117 139 T CA -0.287 61.528 62.100 -0.475 0.000 1.006 139 T CB 1.604 70.005 68.868 -0.778 0.000 1.191 139 T HN 1.278 nan 8.240 nan 0.000 0.508 140 G N -0.666 107.880 108.800 -0.423 0.000 2.337 140 G HA2 0.333 4.295 3.960 0.004 0.000 0.298 140 G HA3 0.333 4.295 3.960 0.004 0.000 0.298 140 G C -1.364 173.282 174.900 -0.423 0.000 1.335 140 G CA -0.826 44.064 45.100 -0.350 0.000 0.875 140 G HN 0.695 nan 8.290 nan 0.000 0.579 141 W N 1.277 122.474 121.300 -0.172 0.000 3.067 141 W HA 0.407 5.069 4.660 0.003 0.000 0.417 141 W C 1.117 177.515 176.519 -0.203 0.000 1.029 141 W CA -0.162 57.012 57.345 -0.286 0.000 1.992 141 W CB 0.848 29.954 29.460 -0.590 0.000 1.122 141 W HN 0.833 nan 8.180 nan 0.000 0.681 142 G N 0.920 109.767 108.800 0.079 0.000 2.667 142 G HA2 0.300 4.262 3.960 0.004 0.000 0.250 142 G HA3 0.300 4.262 3.960 0.004 0.000 0.250 142 G C 0.087 175.023 174.900 0.060 0.000 1.212 142 G CA -0.646 44.512 45.100 0.096 0.000 0.874 142 G HN -0.006 nan 8.290 nan 0.000 0.561 143 L N -0.100 121.170 121.223 0.079 0.000 2.543 143 L HA 0.034 4.377 4.340 0.004 0.000 0.285 143 L C 1.980 178.883 176.870 0.055 0.000 1.236 143 L CA 0.526 55.406 54.840 0.067 0.000 0.871 143 L CB 0.465 42.582 42.059 0.096 0.000 1.121 143 L HN 0.793 nan 8.230 nan 0.000 0.501 144 T N -0.761 113.816 114.554 0.038 0.000 3.040 144 T HA 0.134 4.486 4.350 0.004 0.000 0.250 144 T C 0.553 175.280 174.700 0.045 0.000 1.058 144 T CA -0.235 61.882 62.100 0.029 0.000 0.988 144 T CB 0.166 69.040 68.868 0.010 0.000 0.993 144 T HN 0.602 nan 8.240 nan 0.000 0.519 145 R N -0.127 120.409 120.500 0.060 0.000 2.515 145 R HA 0.439 4.781 4.340 0.004 0.000 0.278 145 R C -1.732 174.629 176.300 0.101 0.000 1.107 145 R CA -0.827 55.318 56.100 0.074 0.000 0.945 145 R CB 1.384 31.709 30.300 0.041 0.000 1.219 145 R HN 0.235 nan 8.270 nan 0.000 0.434 150 N N 0.355 119.061 118.700 0.010 0.000 2.459 150 N HA 0.733 5.475 4.740 0.004 0.000 0.288 150 N C 0.370 175.885 175.510 0.008 0.000 1.186 150 N CA 0.577 53.638 53.050 0.019 0.000 0.917 150 N CB 1.508 40.004 38.487 0.015 0.000 1.219 150 N HN 0.924 nan 8.380 nan 0.000 0.525 151 T N -0.295 114.256 114.554 -0.004 0.000 2.900 151 T HA 0.330 4.682 4.350 0.004 0.000 0.307 151 T C -2.274 172.412 174.700 -0.023 0.000 1.065 151 T CA -1.090 61.001 62.100 -0.015 0.000 1.105 151 T CB 0.612 69.443 68.868 -0.061 0.000 0.979 151 T HN 0.413 nan 8.240 nan 0.000 0.544 152 P HA 0.255 nan 4.420 nan 0.000 0.275 152 P C 0.009 177.313 177.300 0.006 0.000 1.228 152 P CA -0.350 62.746 63.100 -0.006 0.000 0.786 152 P CB 0.819 32.512 31.700 -0.010 0.000 0.927 153 D N 1.407 121.784 120.400 -0.038 0.000 2.123 153 D HA -0.038 4.604 4.640 0.004 0.000 0.200 153 D C 0.759 177.028 176.300 -0.052 0.000 0.976 153 D CA 1.312 55.265 54.000 -0.078 0.000 0.831 153 D CB 0.133 40.875 40.800 -0.097 0.000 0.974 153 D HN 0.392 nan 8.370 nan 0.000 0.469 154 R N 0.514 120.924 120.500 -0.150 0.000 2.404 154 R HA 0.303 4.645 4.340 0.004 0.000 0.291 154 R C -0.257 175.828 176.300 -0.358 0.000 1.025 154 R CA -0.970 54.855 56.100 -0.459 0.000 0.991 154 R CB 1.288 31.205 30.300 -0.637 0.000 1.053 154 R HN -0.031 nan 8.270 nan 0.000 0.479 155 L N 2.813 123.701 121.223 -0.560 0.000 2.578 155 L HA -0.086 4.256 4.340 0.004 0.000 0.279 155 L C -0.357 176.281 176.870 -0.387 0.000 1.227 155 L CA 1.153 55.496 54.840 -0.828 0.000 0.900 155 L CB 0.329 41.986 42.059 -0.669 0.000 1.144 155 L HN 0.473 nan 8.230 nan 0.000 0.496 156 Q N 4.416 123.964 119.800 -0.420 0.000 2.241 156 Q HA 0.520 4.862 4.340 0.004 0.000 0.262 156 Q C -1.030 174.834 176.000 -0.226 0.000 1.014 156 Q CA -0.588 55.085 55.803 -0.216 0.000 0.885 156 Q CB 2.010 30.647 28.738 -0.168 0.000 1.311 156 Q HN 0.776 nan 8.270 nan 0.000 0.461 157 Q N -1.103 118.616 119.800 -0.135 0.000 2.511 157 Q HA 0.901 5.243 4.340 0.004 0.000 0.289 157 Q C -1.760 174.177 176.000 -0.105 0.000 1.021 157 Q CA -1.234 54.465 55.803 -0.173 0.000 0.785 157 Q CB 2.247 30.955 28.738 -0.050 0.000 1.472 157 Q HN 0.552 nan 8.270 nan 0.000 0.411 158 A N 0.884 123.626 122.820 -0.130 0.000 2.555 158 A HA 0.607 4.930 4.320 0.004 0.000 0.297 158 A C -0.997 176.545 177.584 -0.071 0.000 1.060 158 A CA -0.455 51.541 52.037 -0.069 0.000 0.710 158 A CB 1.743 20.709 19.000 -0.056 0.000 1.282 158 A HN 0.885 nan 8.150 nan 0.000 0.399 159 S N 1.868 117.557 115.700 -0.018 0.000 2.525 159 S HA 0.825 5.297 4.470 0.004 0.000 0.278 159 S C -0.126 174.470 174.600 -0.007 0.000 1.234 159 S CA -0.380 57.822 58.200 0.004 0.000 1.058 159 S CB 0.666 63.898 63.200 0.054 0.000 0.983 159 S HN 1.863 nan 8.310 nan 0.000 0.495 160 L N -1.139 120.073 121.223 -0.018 0.000 2.518 160 L HA 0.802 5.145 4.340 0.004 0.000 0.257 160 L C -3.242 173.612 176.870 -0.026 0.000 0.980 160 L CA -2.485 52.340 54.840 -0.024 0.000 0.837 160 L CB 2.343 44.379 42.059 -0.039 0.000 1.410 160 L HN 0.371 nan 8.230 nan 0.000 0.410 161 P HA 0.353 nan 4.420 nan 0.000 0.286 161 P C -0.847 176.438 177.300 -0.025 0.000 1.261 161 P CA -0.442 62.652 63.100 -0.009 0.000 0.821 161 P CB 1.807 33.510 31.700 0.004 0.000 1.013 162 L N 2.715 123.926 121.223 -0.020 0.000 2.397 162 L HA 0.294 4.637 4.340 0.004 0.000 0.271 162 L C 0.679 177.553 176.870 0.006 0.000 1.148 162 L CA -0.463 54.362 54.840 -0.024 0.000 0.825 162 L CB -0.008 42.048 42.059 -0.005 0.000 1.117 162 L HN 0.241 nan 8.230 nan 0.000 0.456 163 L N 1.625 122.858 121.223 0.016 0.000 2.331 163 L HA 0.415 4.758 4.340 0.004 0.000 0.275 163 L C 0.401 177.297 176.870 0.043 0.000 1.022 163 L CA -0.635 54.225 54.840 0.033 0.000 0.812 163 L CB 1.950 44.035 42.059 0.044 0.000 1.257 163 L HN 0.679 nan 8.230 nan 0.000 0.435 164 S N 0.138 115.865 115.700 0.044 0.000 2.585 164 S HA 0.138 4.611 4.470 0.004 0.000 0.273 164 S C 0.762 175.398 174.600 0.060 0.000 1.339 164 S CA -0.721 57.508 58.200 0.048 0.000 1.028 164 S CB 0.818 64.042 63.200 0.041 0.000 0.906 164 S HN 0.615 nan 8.310 nan 0.000 0.528 165 N N 1.816 120.553 118.700 0.062 0.000 2.205 165 N HA -0.102 4.640 4.740 0.004 0.000 0.186 165 N C 1.602 177.160 175.510 0.080 0.000 1.015 165 N CA 1.705 54.800 53.050 0.075 0.000 0.862 165 N CB -0.953 37.575 38.487 0.069 0.000 0.986 165 N HN 0.747 nan 8.380 nan 0.000 0.429 166 T N 0.932 115.525 114.554 0.064 0.000 2.746 166 T HA -0.123 4.229 4.350 0.004 0.000 0.267 166 T C 1.766 176.506 174.700 0.065 0.000 1.039 166 T CA 1.264 63.400 62.100 0.060 0.000 1.142 166 T CB -0.288 68.606 68.868 0.045 0.000 0.866 166 T HN 0.322 nan 8.240 nan 0.000 0.444 167 N N 0.167 118.905 118.700 0.062 0.000 2.216 167 N HA -0.074 4.669 4.740 0.004 0.000 0.183 167 N C 2.048 177.611 175.510 0.089 0.000 1.017 167 N CA 1.052 54.139 53.050 0.061 0.000 0.861 167 N CB -0.728 37.787 38.487 0.047 0.000 0.986 167 N HN 0.368 nan 8.380 nan 0.000 0.428 168 c N 0.820 119.488 118.600 0.113 0.000 2.432 168 c HA 0.040 4.613 4.570 0.004 0.000 0.277 168 c C 2.232 176.463 174.090 0.235 0.000 1.249 168 c CA 0.851 57.290 56.329 0.182 0.000 1.725 168 c CB -0.973 41.648 42.510 0.186 0.000 2.028 168 c HN 0.453 nan 8.230 nan 0.000 0.477 169 K N 0.293 120.803 120.400 0.184 0.000 2.280 169 K HA -0.126 4.197 4.320 0.004 0.000 0.202 169 K C 1.987 178.664 176.600 0.128 0.000 1.047 169 K CA 1.077 57.472 56.287 0.179 0.000 0.942 169 K CB -0.144 32.434 32.500 0.129 0.000 0.739 169 K HN 0.566 nan 8.250 nan 0.000 0.457 170 K N -0.441 120.021 120.400 0.104 0.000 2.281 170 K HA -0.198 4.125 4.320 0.004 0.000 0.203 170 K C 1.595 178.227 176.600 0.053 0.000 1.046 170 K CA 1.344 57.670 56.287 0.065 0.000 0.938 170 K CB -0.027 32.508 32.500 0.059 0.000 0.737 170 K HN 0.232 nan 8.250 nan 0.000 0.458 171 Y N -1.438 118.817 120.300 -0.076 0.000 2.447 171 Y HA 0.003 4.555 4.550 0.003 0.000 0.286 171 Y C 1.166 176.928 175.900 -0.230 0.000 1.153 171 Y CA 0.453 58.406 58.100 -0.244 0.000 1.241 171 Y CB 0.028 38.216 38.460 -0.453 0.000 1.284 171 Y HN -0.018 nan 8.280 nan 0.000 0.520 172 W N 1.430 122.838 121.300 0.179 0.000 3.047 172 W HA 0.292 4.954 4.660 0.003 0.000 0.250 172 W C 1.684 178.254 176.519 0.084 0.000 1.314 172 W CA 0.736 58.171 57.345 0.149 0.000 1.540 172 W CB -0.350 29.282 29.460 0.285 0.000 1.127 172 W HN 0.451 nan 8.180 nan 0.000 0.679 173 G N 1.385 110.322 108.800 0.228 0.000 2.614 173 G HA2 -0.493 3.470 3.960 0.004 0.000 0.303 173 G HA3 -0.493 3.470 3.960 0.004 0.000 0.303 173 G C 0.988 175.989 174.900 0.168 0.000 1.270 173 G CA 1.748 46.936 45.100 0.148 0.000 0.988 173 G HN 0.299 nan 8.290 nan 0.000 0.551 174 T N -0.895 113.730 114.554 0.119 0.000 3.163 174 T HA 0.177 4.529 4.350 0.004 0.000 0.260 174 T C 1.777 176.541 174.700 0.108 0.000 1.156 174 T CA 1.612 63.770 62.100 0.096 0.000 1.072 174 T CB 0.048 68.948 68.868 0.054 0.000 0.937 174 T HN 0.469 nan 8.240 nan 0.000 0.528 175 K N 0.836 121.338 120.400 0.169 0.000 2.365 175 K HA 0.185 4.507 4.320 0.004 0.000 0.199 175 K C 0.638 177.369 176.600 0.218 0.000 1.045 175 K CA 0.098 56.473 56.287 0.147 0.000 0.962 175 K CB -0.086 32.533 32.500 0.199 0.000 0.759 175 K HN 0.427 nan 8.250 nan 0.000 0.469 176 I N 3.053 123.769 120.570 0.243 0.000 2.379 176 I HA 0.035 4.208 4.170 0.004 0.000 0.290 176 I C 0.580 176.780 176.117 0.139 0.000 1.063 176 I CA -0.235 61.193 61.300 0.212 0.000 1.351 176 I CB 0.367 38.480 38.000 0.189 0.000 1.410 176 I HN -0.176 nan 8.210 nan 0.000 0.505 177 K N 4.625 125.102 120.400 0.128 0.000 2.210 177 K HA 0.232 4.554 4.320 0.004 0.000 0.236 177 K C 0.861 177.506 176.600 0.074 0.000 1.016 177 K CA -0.576 55.760 56.287 0.082 0.000 0.913 177 K CB 0.805 33.341 32.500 0.059 0.000 1.141 177 K HN 0.447 nan 8.250 nan 0.000 0.462 178 D N -0.260 120.173 120.400 0.055 0.000 2.218 178 D HA -0.124 4.519 4.640 0.004 0.000 0.204 178 D C 0.775 177.109 176.300 0.056 0.000 0.976 178 D CA 1.036 55.067 54.000 0.052 0.000 0.853 178 D CB -0.111 40.713 40.800 0.040 0.000 0.939 178 D HN 0.396 nan 8.370 nan 0.000 0.481 179 A N -0.452 122.403 122.820 0.059 0.000 2.577 179 A HA 0.438 4.760 4.320 0.004 0.000 0.280 179 A C 0.349 177.980 177.584 0.079 0.000 1.331 179 A CA -0.456 51.619 52.037 0.062 0.000 0.935 179 A CB -0.521 18.509 19.000 0.050 0.000 1.082 179 A HN 0.180 nan 8.150 nan 0.000 0.525 180 M N -0.166 119.483 119.600 0.081 0.000 2.535 180 M HA 0.609 5.092 4.480 0.004 0.000 0.314 180 M C -0.908 175.427 176.300 0.058 0.000 1.153 180 M CA -0.380 54.967 55.300 0.077 0.000 0.924 180 M CB 2.527 35.185 32.600 0.096 0.000 1.710 180 M HN 0.249 nan 8.290 nan 0.000 0.451 181 I N 1.096 121.697 120.570 0.053 0.000 2.619 181 I HA 0.551 4.724 4.170 0.004 0.000 0.292 181 I C -1.391 174.767 176.117 0.070 0.000 1.100 181 I CA -0.484 60.846 61.300 0.050 0.000 1.043 181 I CB 1.458 39.476 38.000 0.030 0.000 1.239 181 I HN 0.795 nan 8.210 nan 0.000 0.420 182 c N 5.880 124.514 118.600 0.056 0.000 2.365 182 c HA 1.002 5.575 4.570 0.004 0.000 0.349 182 c C 0.283 174.410 174.090 0.063 0.000 1.191 182 c CA -0.276 56.104 56.329 0.084 0.000 2.114 182 c CB 0.681 43.234 42.510 0.072 0.000 2.367 182 c HN 0.861 nan 8.230 nan 0.000 0.530 183 A N 1.091 123.976 122.820 0.108 0.000 2.604 183 A HA 0.933 5.256 4.320 0.004 0.000 0.295 183 A C -0.112 177.518 177.584 0.077 0.000 1.067 183 A CA 0.431 52.473 52.037 0.009 0.000 0.683 183 A CB 0.885 19.751 19.000 -0.225 0.000 1.281 183 A HN 2.572 nan 8.150 nan 0.000 0.407 184 G N -0.052 108.761 108.800 0.022 0.000 2.443 184 G HA2 0.496 4.458 3.960 0.004 0.000 0.209 184 G HA3 0.496 4.458 3.960 0.004 0.000 0.209 184 G C 0.858 175.758 174.900 0.000 0.000 1.176 184 G CA 1.581 46.695 45.100 0.024 0.000 1.074 184 G HN 2.667 nan 8.290 nan 0.000 0.577 185 A N -1.953 120.855 122.820 -0.019 0.000 2.816 185 A HA 0.091 4.413 4.320 0.004 0.000 0.270 185 A C 1.608 179.167 177.584 -0.041 0.000 1.413 185 A CA 2.733 54.735 52.037 -0.058 0.000 0.866 185 A CB -2.164 16.789 19.000 -0.079 0.000 1.032 185 A HN 2.637 nan 8.150 nan 0.000 0.642 186 S N -2.449 113.238 115.700 -0.023 0.000 2.664 186 S HA 0.518 4.991 4.470 0.004 0.000 0.245 186 S C 1.624 176.217 174.600 -0.012 0.000 1.019 186 S CA 1.010 59.201 58.200 -0.015 0.000 0.996 186 S CB 0.304 63.500 63.200 -0.007 0.000 0.878 186 S HN 2.443 nan 8.310 nan 0.000 0.493 187 G N 0.383 109.174 108.800 -0.016 0.000 2.201 187 G HA2 -0.189 3.773 3.960 0.004 0.000 0.212 187 G HA3 -0.189 3.773 3.960 0.004 0.000 0.212 187 G C 0.031 174.928 174.900 -0.005 0.000 0.994 187 G CA 0.023 45.117 45.100 -0.010 0.000 0.644 187 G HN 1.612 nan 8.290 nan 0.000 0.508 188 V N -2.590 117.321 119.914 -0.005 0.000 3.141 188 V HA 0.987 5.109 4.120 0.004 0.000 0.312 188 V C -0.247 175.849 176.094 0.004 0.000 1.157 188 V CA -0.175 62.125 62.300 -0.000 0.000 1.041 188 V CB 1.891 33.713 31.823 -0.003 0.000 1.071 188 V HN 1.541 nan 8.190 nan 0.000 0.441 189 S N 0.586 116.293 115.700 0.011 0.000 2.548 189 S HA 0.582 5.055 4.470 0.004 0.000 0.278 189 S C -0.509 174.105 174.600 0.023 0.000 1.150 189 S CA -0.286 57.925 58.200 0.018 0.000 0.907 189 S CB 1.854 65.056 63.200 0.004 0.000 1.108 189 S HN 1.245 nan 8.310 nan 0.000 0.459 190 S N 2.059 117.776 115.700 0.029 0.000 2.584 190 S HA 0.615 5.087 4.470 0.004 0.000 0.270 190 S C -0.077 174.535 174.600 0.019 0.000 1.346 190 S CA -0.287 57.926 58.200 0.021 0.000 1.018 190 S CB 0.873 64.065 63.200 -0.013 0.000 0.899 190 S HN 0.866 nan 8.310 nan 0.000 0.542 191 c N 1.659 120.286 118.600 0.045 0.000 3.336 191 c HA 0.518 5.091 4.570 0.004 0.000 0.339 191 c C -1.071 173.087 174.090 0.113 0.000 1.468 191 c CA -0.924 55.455 56.329 0.082 0.000 1.287 191 c CB 0.778 43.350 42.510 0.104 0.000 1.682 191 c HN 0.841 nan 8.230 nan 0.000 0.451 192 M N 2.632 122.323 119.600 0.152 0.000 2.394 192 M HA 0.308 4.791 4.480 0.004 0.000 0.394 192 M C 1.259 177.662 176.300 0.172 0.000 1.611 192 M CA 1.893 57.296 55.300 0.171 0.000 0.941 192 M CB -0.763 31.953 32.600 0.192 0.000 2.094 192 M HN 1.160 nan 8.290 nan 0.000 0.485 193 G N 1.967 110.884 108.800 0.194 0.000 2.231 193 G HA2 -0.187 3.775 3.960 0.004 0.000 0.206 193 G HA3 -0.187 3.775 3.960 0.004 0.000 0.206 193 G C 0.724 175.791 174.900 0.278 0.000 0.996 193 G CA 0.036 45.288 45.100 0.254 0.000 0.645 193 G HN 0.598 nan 8.290 nan 0.000 0.498 194 D N 1.003 121.508 120.400 0.176 0.000 2.305 194 D HA 0.180 4.822 4.640 0.004 0.000 0.206 194 D C 1.426 177.793 176.300 0.111 0.000 0.974 194 D CA 0.706 54.785 54.000 0.131 0.000 0.871 194 D CB 0.092 40.934 40.800 0.070 0.000 0.947 194 D HN 0.329 nan 8.370 nan 0.000 0.516 195 S N -0.577 115.199 115.700 0.127 0.000 2.571 195 S HA 0.226 4.698 4.470 0.004 0.000 0.298 195 S C 1.559 176.179 174.600 0.034 0.000 1.280 195 S CA 0.988 59.267 58.200 0.130 0.000 1.052 195 S CB 0.745 64.115 63.200 0.283 0.000 0.799 195 S HN 0.497 nan 8.310 nan 0.000 0.501 196 G N 2.188 111.000 108.800 0.019 0.000 2.253 196 G HA2 -0.214 3.749 3.960 0.004 0.000 0.251 196 G HA3 -0.214 3.749 3.960 0.004 0.000 0.251 196 G C 0.484 175.409 174.900 0.043 0.000 0.998 196 G CA 0.152 45.246 45.100 -0.010 0.000 0.621 196 G HN 1.148 nan 8.290 nan 0.000 0.524 197 G N 0.937 109.775 108.800 0.063 0.000 2.651 197 G HA2 0.574 4.537 3.960 0.004 0.000 0.260 197 G HA3 0.574 4.537 3.960 0.004 0.000 0.260 197 G C -1.856 173.086 174.900 0.070 0.000 1.216 197 G CA -0.096 45.046 45.100 0.069 0.000 0.913 197 G HN 0.422 nan 8.290 nan 0.000 0.535 198 P HA 0.348 nan 4.420 nan 0.000 0.284 198 P C -1.199 176.060 177.300 -0.069 0.000 1.258 198 P CA -0.575 62.529 63.100 0.007 0.000 0.824 198 P CB 2.056 33.789 31.700 0.055 0.000 1.038 199 L N 4.104 125.254 121.223 -0.121 0.000 2.377 199 L HA 0.402 4.744 4.340 0.004 0.000 0.270 199 L C -0.842 175.896 176.870 -0.221 0.000 0.991 199 L CA -0.835 53.849 54.840 -0.260 0.000 0.851 199 L CB 1.074 42.845 42.059 -0.480 0.000 1.218 199 L HN 0.204 nan 8.230 nan 0.000 0.420 200 V N 1.504 121.317 119.914 -0.168 0.000 2.715 200 V HA 0.867 4.989 4.120 0.004 0.000 0.310 200 V C -0.283 175.912 176.094 0.167 0.000 1.054 200 V CA -0.599 61.686 62.300 -0.025 0.000 0.928 200 V CB 1.319 33.191 31.823 0.083 0.000 1.007 200 V HN 0.829 nan 8.190 nan 0.000 0.437 201 c N 2.472 121.164 118.600 0.153 0.000 2.898 201 c HA 0.595 5.168 4.570 0.004 0.000 0.304 201 c C -0.040 174.118 174.090 0.113 0.000 1.237 201 c CA -1.058 55.373 56.329 0.170 0.000 1.529 201 c CB 1.803 44.313 42.510 -0.001 0.000 2.021 201 c HN 0.999 nan 8.230 nan 0.000 0.474 202 K N 1.504 121.838 120.400 -0.111 0.000 2.298 202 K HA 0.324 4.646 4.320 0.004 0.000 0.280 202 K C -0.289 176.297 176.600 -0.024 0.000 1.032 202 K CA 0.087 56.204 56.287 -0.283 0.000 0.958 202 K CB 0.702 32.884 32.500 -0.530 0.000 0.978 202 K HN 0.557 nan 8.250 nan 0.000 0.472 203 K N 3.536 123.929 120.400 -0.012 0.000 2.559 203 K HA 0.095 4.418 4.320 0.004 0.000 0.249 203 K C -0.860 175.714 176.600 -0.043 0.000 0.958 203 K CA -0.387 55.918 56.287 0.030 0.000 0.901 203 K CB 0.448 33.025 32.500 0.128 0.000 1.124 203 K HN 0.575 nan 8.250 nan 0.000 0.437 204 N N 3.129 121.789 118.700 -0.066 0.000 2.735 204 N HA -0.208 4.534 4.740 0.004 0.000 0.248 204 N C 0.532 175.994 175.510 -0.081 0.000 1.083 204 N CA 1.501 54.511 53.050 -0.067 0.000 0.703 204 N CB -1.293 37.164 38.487 -0.049 0.000 1.005 204 N HN 1.109 nan 8.380 nan 0.000 0.550 205 G N -2.231 106.492 108.800 -0.128 0.000 2.199 205 G HA2 -0.139 3.823 3.960 0.004 0.000 0.254 205 G HA3 -0.139 3.823 3.960 0.004 0.000 0.254 205 G C 0.147 174.919 174.900 -0.214 0.000 0.982 205 G CA 0.791 45.789 45.100 -0.169 0.000 0.632 205 G HN 1.250 nan 8.290 nan 0.000 0.529 206 A N -0.389 122.334 122.820 -0.162 0.000 2.317 206 A HA 0.641 4.963 4.320 0.004 0.000 0.327 206 A C -0.139 177.371 177.584 -0.123 0.000 1.178 206 A CA -0.620 51.354 52.037 -0.105 0.000 0.817 206 A CB 0.536 19.528 19.000 -0.013 0.000 1.189 206 A HN 0.597 nan 8.150 nan 0.000 0.489 207 W N 2.095 123.422 121.300 0.044 0.000 2.381 207 W HA 0.368 5.031 4.660 0.005 0.000 0.321 207 W C 0.136 176.529 176.519 -0.209 0.000 1.407 207 W CA 0.629 57.965 57.345 -0.015 0.000 1.274 207 W CB 0.886 30.423 29.460 0.129 0.000 1.310 207 W HN 0.584 nan 8.180 nan 0.000 0.551 208 T N 4.602 119.195 114.554 0.064 0.000 2.841 208 T HA 0.286 4.639 4.350 0.004 0.000 0.283 208 T C -0.830 173.772 174.700 -0.163 0.000 1.000 208 T CA -0.895 61.166 62.100 -0.066 0.000 0.977 208 T CB 1.376 70.266 68.868 0.036 0.000 0.979 208 T HN 0.133 nan 8.240 nan 0.000 0.446 209 L N 4.514 125.615 121.223 -0.204 0.000 2.485 209 L HA 0.225 4.567 4.340 0.004 0.000 0.279 209 L C 0.776 177.505 176.870 -0.235 0.000 1.124 209 L CA 0.550 55.267 54.840 -0.205 0.000 0.888 209 L CB 0.062 42.026 42.059 -0.157 0.000 1.217 209 L HN 0.610 nan 8.230 nan 0.000 0.464 210 V N 4.164 123.883 119.914 -0.324 0.000 3.263 210 V HA 0.435 4.557 4.120 0.004 0.000 0.248 210 V C 1.023 176.982 176.094 -0.225 0.000 1.145 210 V CA 0.780 62.825 62.300 -0.424 0.000 1.107 210 V CB 0.066 31.475 31.823 -0.689 0.000 0.797 210 V HN 0.844 nan 8.190 nan 0.000 0.467 211 G N -0.613 108.082 108.800 -0.175 0.000 2.690 211 G HA2 0.715 4.677 3.960 0.004 0.000 0.291 211 G HA3 0.715 4.677 3.960 0.004 0.000 0.291 211 G C -1.665 173.263 174.900 0.047 0.000 1.403 211 G CA -0.557 44.513 45.100 -0.050 0.000 0.864 211 G HN 0.029 nan 8.290 nan 0.000 0.480 212 I N 0.902 121.569 120.570 0.163 0.000 2.466 212 I HA 0.245 4.418 4.170 0.004 0.000 0.289 212 I C 0.110 176.364 176.117 0.228 0.000 1.026 212 I CA -1.047 60.350 61.300 0.161 0.000 1.078 212 I CB 2.242 40.304 38.000 0.104 0.000 1.249 212 I HN 0.156 nan 8.210 nan 0.000 0.429 213 V N 5.185 125.229 119.914 0.217 0.000 2.584 213 V HA -0.071 4.052 4.120 0.004 0.000 0.303 213 V C 0.830 176.924 176.094 0.001 0.000 1.035 213 V CA 0.862 63.164 62.300 0.004 0.000 1.172 213 V CB 0.640 32.490 31.823 0.045 0.000 0.896 213 V HN 0.990 nan 8.190 nan 0.000 0.486 214 S N 4.781 120.381 115.700 -0.167 0.000 3.597 214 S HA 0.385 4.857 4.470 0.004 0.000 0.206 214 S C -0.128 174.481 174.600 0.014 0.000 0.948 214 S CA 0.038 58.285 58.200 0.079 0.000 0.863 214 S CB 0.600 63.862 63.200 0.104 0.000 1.015 214 S HN 0.888 nan 8.310 nan 0.000 0.616 215 W N 0.032 121.146 121.300 -0.311 0.000 2.961 215 W HA 0.657 5.318 4.660 0.003 0.000 0.368 215 W C -0.137 176.182 176.519 -0.335 0.000 1.213 215 W CA -0.386 56.769 57.345 -0.318 0.000 1.173 215 W CB 0.276 29.532 29.460 -0.340 0.000 1.487 215 W HN 0.669 nan 8.180 nan 0.000 0.585 216 G N 0.309 109.124 108.800 0.025 0.000 2.441 216 G HA2 0.257 4.220 3.960 0.004 0.000 0.225 216 G HA3 0.257 4.220 3.960 0.004 0.000 0.225 216 G C -1.082 174.017 174.900 0.331 0.000 1.200 216 G CA -0.201 44.862 45.100 -0.061 0.000 0.947 216 G HN 0.788 nan 8.290 nan 0.000 0.484 217 S N -0.043 115.886 115.700 0.382 0.000 2.563 217 S HA 0.284 4.756 4.470 0.004 0.000 0.294 217 S C 1.530 176.202 174.600 0.121 0.000 1.279 217 S CA 0.799 59.179 58.200 0.300 0.000 1.069 217 S CB 0.581 63.835 63.200 0.089 0.000 0.828 217 S HN 0.854 nan 8.310 nan 0.000 0.497 218 S N 2.845 118.608 115.700 0.106 0.000 2.555 218 S HA -0.021 4.451 4.470 0.004 0.000 0.230 218 S C 1.525 175.932 174.600 -0.322 0.000 0.978 218 S CA 1.046 59.240 58.200 -0.009 0.000 0.934 218 S CB -0.147 63.086 63.200 0.055 0.000 0.766 218 S HN 0.972 nan 8.310 nan 0.000 0.533 219 T N -3.024 111.252 114.554 -0.463 0.000 3.145 219 T HA 0.203 4.555 4.350 0.004 0.000 0.281 219 T C 0.544 174.857 174.700 -0.646 0.000 1.003 219 T CA -0.125 61.312 62.100 -1.105 0.000 0.901 219 T CB -0.850 67.659 68.868 -0.598 0.000 1.112 219 T HN 0.215 nan 8.240 nan 0.000 0.535 220 c N 1.874 120.299 118.600 -0.293 0.000 4.350 220 c HA -0.144 4.428 4.570 0.004 0.000 0.302 220 c C 0.985 175.036 174.090 -0.065 0.000 1.390 220 c CA 0.339 56.610 56.329 -0.096 0.000 2.016 220 c CB -3.293 39.217 42.510 -0.000 0.000 1.271 220 c HN 0.897 nan 8.230 nan 0.000 0.760 221 S N 0.792 116.442 115.700 -0.083 0.000 2.533 221 S HA 0.334 4.807 4.470 0.004 0.000 0.282 221 S C 1.491 176.054 174.600 -0.062 0.000 1.304 221 S CA 0.596 58.754 58.200 -0.069 0.000 1.063 221 S CB 0.854 63.999 63.200 -0.092 0.000 0.881 221 S HN 0.946 nan 8.310 nan 0.000 0.493 222 T N 1.216 115.744 114.554 -0.043 0.000 3.160 222 T HA -0.007 4.345 4.350 0.004 0.000 0.257 222 T C 1.249 175.913 174.700 -0.060 0.000 1.147 222 T CA 0.746 62.824 62.100 -0.038 0.000 1.064 222 T CB -0.381 68.476 68.868 -0.018 0.000 0.949 222 T HN 0.634 nan 8.240 nan 0.000 0.526 223 S N -0.335 115.308 115.700 -0.094 0.000 2.568 223 S HA 0.282 4.754 4.470 0.004 0.000 0.232 223 S C 0.311 174.775 174.600 -0.226 0.000 0.975 223 S CA -0.680 57.447 58.200 -0.122 0.000 0.949 223 S CB 0.026 63.166 63.200 -0.100 0.000 0.829 223 S HN 0.359 nan 8.310 nan 0.000 0.479 224 T N 4.264 118.663 114.554 -0.258 0.000 2.856 224 T HA 0.556 4.909 4.350 0.004 0.000 0.283 224 T C -3.046 171.530 174.700 -0.206 0.000 1.008 224 T CA -1.638 60.189 62.100 -0.455 0.000 0.997 224 T CB 1.656 70.226 68.868 -0.497 0.000 0.992 224 T HN -0.007 nan 8.240 nan 0.000 0.454 225 P HA 0.297 nan 4.420 nan 0.000 0.271 225 P C -0.012 177.380 177.300 0.153 0.000 1.216 225 P CA -0.171 62.974 63.100 0.075 0.000 0.771 225 P CB 0.416 32.219 31.700 0.172 0.000 0.864 226 G N 2.040 110.878 108.800 0.063 0.000 2.420 226 G HA2 0.472 4.434 3.960 0.004 0.000 0.284 226 G HA3 0.472 4.434 3.960 0.004 0.000 0.284 226 G C -0.891 173.853 174.900 -0.259 0.000 1.177 226 G CA -0.357 44.681 45.100 -0.103 0.000 0.841 226 G HN 0.341 nan 8.290 nan 0.000 0.527 227 V N 2.128 121.572 119.914 -0.784 0.000 2.417 227 V HA 0.446 4.568 4.120 0.004 0.000 0.291 227 V C -0.979 174.626 176.094 -0.816 0.000 1.024 227 V CA -0.696 61.086 62.300 -0.864 0.000 0.861 227 V CB 0.730 31.465 31.823 -1.813 0.000 0.985 227 V HN 0.629 nan 8.190 nan 0.000 0.436 228 Y N 1.694 121.823 120.300 -0.286 0.000 2.549 228 Y HA 0.747 5.299 4.550 0.004 0.000 0.339 228 Y C 0.552 176.414 175.900 -0.064 0.000 1.053 228 Y CA -1.069 56.947 58.100 -0.139 0.000 1.105 228 Y CB 1.615 40.011 38.460 -0.107 0.000 1.258 228 Y HN 0.698 nan 8.280 nan 0.000 0.478 229 A N 2.249 125.152 122.820 0.139 0.000 2.454 229 A HA 0.309 4.632 4.320 0.004 0.000 0.260 229 A C 0.268 177.909 177.584 0.095 0.000 1.106 229 A CA -0.542 51.564 52.037 0.116 0.000 0.780 229 A CB -0.054 19.013 19.000 0.111 0.000 1.044 229 A HN 0.797 nan 8.150 nan 0.000 0.498 230 R N 3.482 124.027 120.500 0.076 0.000 2.309 230 R HA 0.249 4.591 4.340 0.004 0.000 0.331 230 R C 0.420 176.750 176.300 0.050 0.000 1.116 230 R CA -0.296 55.835 56.100 0.053 0.000 0.970 230 R CB 0.161 30.496 30.300 0.058 0.000 1.024 230 R HN 0.571 nan 8.270 nan 0.000 0.472 231 V N 3.232 123.162 119.914 0.027 0.000 2.490 231 V HA -0.268 3.854 4.120 0.004 0.000 0.250 231 V C 2.369 178.499 176.094 0.060 0.000 1.061 231 V CA 2.357 64.680 62.300 0.038 0.000 1.064 231 V CB -0.638 31.184 31.823 -0.003 0.000 0.670 231 V HN 0.926 nan 8.190 nan 0.000 0.461 232 T N -0.981 113.613 114.554 0.066 0.000 2.833 232 T HA -0.113 4.240 4.350 0.004 0.000 0.269 232 T C 1.741 176.491 174.700 0.084 0.000 1.054 232 T CA 1.392 63.549 62.100 0.095 0.000 1.135 232 T CB -0.374 68.575 68.868 0.134 0.000 0.869 232 T HN 0.491 nan 8.240 nan 0.000 0.466 233 A N 0.475 123.341 122.820 0.077 0.000 2.208 233 A HA 0.514 4.837 4.320 0.004 0.000 0.209 233 A C 1.993 179.626 177.584 0.082 0.000 1.161 233 A CA 0.300 52.380 52.037 0.072 0.000 0.782 233 A CB -0.369 18.668 19.000 0.061 0.000 0.816 233 A HN 0.571 nan 8.150 nan 0.000 0.477 234 L N -1.964 119.319 121.223 0.100 0.000 2.920 234 L HA 0.166 4.509 4.340 0.004 0.000 0.257 234 L C 1.868 178.869 176.870 0.219 0.000 1.150 234 L CA 0.028 54.957 54.840 0.148 0.000 0.959 234 L CB 0.508 42.635 42.059 0.114 0.000 1.321 234 L HN 0.148 nan 8.230 nan 0.000 0.555 235 V N 0.692 120.691 119.914 0.140 0.000 2.490 235 V HA -0.254 3.868 4.120 0.004 0.000 0.250 235 V C 1.876 178.015 176.094 0.076 0.000 1.061 235 V CA 2.226 64.588 62.300 0.102 0.000 1.064 235 V CB -0.271 31.588 31.823 0.060 0.000 0.670 235 V HN 0.555 nan 8.190 nan 0.000 0.461 236 N N -1.306 117.450 118.700 0.094 0.000 2.166 236 N HA -0.242 4.500 4.740 0.004 0.000 0.186 236 N C 1.602 177.155 175.510 0.072 0.000 1.019 236 N CA 1.609 54.695 53.050 0.061 0.000 0.856 236 N CB -0.299 38.230 38.487 0.071 0.000 0.993 236 N HN 0.759 nan 8.380 nan 0.000 0.426 237 W N 1.769 123.055 121.300 -0.023 0.000 2.388 237 W HA -0.099 4.563 4.660 0.004 0.000 0.294 237 W C 1.727 178.205 176.519 -0.068 0.000 1.212 237 W CA 0.706 58.036 57.345 -0.025 0.000 1.271 237 W CB -0.369 29.096 29.460 0.007 0.000 1.126 237 W HN -0.248 nan 8.180 nan 0.000 0.535 238 V N 1.298 121.166 119.914 -0.075 0.000 2.261 238 V HA -0.340 3.782 4.120 0.004 0.000 0.246 238 V C 2.629 178.439 176.094 -0.473 0.000 1.047 238 V CA 2.217 64.298 62.300 -0.364 0.000 1.015 238 V CB -1.072 30.705 31.823 -0.077 0.000 0.642 238 V HN 0.186 nan 8.190 nan 0.000 0.446 239 Q N -0.200 119.429 119.800 -0.284 0.000 2.096 239 Q HA -0.259 4.084 4.340 0.004 0.000 0.204 239 Q C 2.245 178.048 176.000 -0.328 0.000 0.982 239 Q CA 1.786 57.422 55.803 -0.278 0.000 0.850 239 Q CB -0.439 28.205 28.738 -0.157 0.000 0.901 239 Q HN 0.710 nan 8.270 nan 0.000 0.422 240 Q N -0.344 119.271 119.800 -0.308 0.000 2.084 240 Q HA -0.103 4.240 4.340 0.004 0.000 0.202 240 Q C 2.088 177.840 176.000 -0.413 0.000 0.978 240 Q CA 1.751 57.382 55.803 -0.287 0.000 0.844 240 Q CB -0.053 28.564 28.738 -0.202 0.000 0.898 240 Q HN 0.365 nan 8.270 nan 0.000 0.426 241 T N 1.258 115.413 114.554 -0.664 0.000 2.777 241 T HA -0.076 4.276 4.350 0.004 0.000 0.266 241 T C 1.832 176.037 174.700 -0.824 0.000 1.040 241 T CA 0.831 62.453 62.100 -0.796 0.000 1.141 241 T CB -0.141 68.010 68.868 -1.195 0.000 0.868 241 T HN 0.174 nan 8.240 nan 0.000 0.444 242 L N 0.858 121.534 121.223 -0.911 0.000 2.027 242 L HA -0.051 4.291 4.340 0.004 0.000 0.206 242 L C 3.143 179.726 176.870 -0.479 0.000 1.074 242 L CA 1.293 55.553 54.840 -0.967 0.000 0.745 242 L CB -0.871 40.646 42.059 -0.903 0.000 0.898 242 L HN 0.240 nan 8.230 nan 0.000 0.433 243 A N 0.287 122.892 122.820 -0.358 0.000 1.940 243 A HA -0.151 4.172 4.320 0.004 0.000 0.219 243 A C 2.374 179.868 177.584 -0.149 0.000 1.176 243 A CA 1.829 53.741 52.037 -0.207 0.000 0.631 243 A CB -0.586 18.310 19.000 -0.172 0.000 0.814 243 A HN 0.419 nan 8.150 nan 0.000 0.446 244 A N -1.291 121.424 122.820 -0.176 0.000 2.208 244 A HA 0.193 4.515 4.320 0.004 0.000 0.209 244 A C 0.803 178.365 177.584 -0.038 0.000 1.161 244 A CA 0.204 52.185 52.037 -0.093 0.000 0.782 244 A CB -0.145 18.802 19.000 -0.088 0.000 0.816 244 A HN 0.556 nan 8.150 nan 0.000 0.477 245 N N 0.000 118.669 118.700 -0.052 0.000 1.763 245 N HA 0.000 4.742 4.740 0.004 0.000 0.220 245 N CA 0.000 53.116 53.050 0.110 0.000 0.885 245 N CB 0.000 38.586 38.487 0.165 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667