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 1q3g_1_W DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2 D N 3.696 124.123 120.400 0.045 0.000 2.443 2 D HA 0.363 5.003 4.640 0.000 0.000 0.234 2 D C -0.335 175.973 176.300 0.012 0.000 1.172 2 D CA 0.922 54.945 54.000 0.038 0.000 0.878 2 D CB 0.707 41.525 40.800 0.030 0.000 1.204 2 D HN 0.532 nan 8.370 nan 0.000 0.453 3 K N 0.460 120.884 120.400 0.040 0.000 2.522 3 K HA 0.477 4.797 4.320 0.000 0.000 0.275 3 K C -0.920 175.814 176.600 0.223 0.000 1.006 3 K CA -0.771 55.541 56.287 0.041 0.000 0.890 3 K CB 1.943 34.480 32.500 0.062 0.000 1.475 3 K HN 0.290 nan 8.250 nan 0.000 0.441 4 F N 1.176 121.127 119.950 0.002 0.000 2.467 4 F HA 0.414 4.941 4.527 0.000 0.000 0.336 4 F C 0.173 175.970 175.800 -0.005 0.000 1.123 4 F CA -1.018 56.980 58.000 -0.003 0.000 0.964 4 F CB 1.960 40.951 39.000 -0.016 0.000 1.136 4 F HN 0.213 nan 8.300 nan 0.000 0.447 5 R N 4.132 124.718 120.500 0.143 0.000 2.239 5 R HA 0.531 4.871 4.340 0.000 0.000 0.332 5 R C -1.723 174.582 176.300 0.008 0.000 0.988 5 R CA -0.374 55.764 56.100 0.063 0.000 0.859 5 R CB 1.156 31.481 30.300 0.042 0.000 1.148 5 R HN 0.461 nan 8.270 nan 0.000 0.482 6 V N 4.443 124.365 119.914 0.014 0.000 2.435 6 V HA 0.319 4.439 4.120 0.000 0.000 0.290 6 V C -0.267 175.821 176.094 -0.011 0.000 1.030 6 V CA -0.848 61.442 62.300 -0.016 0.000 0.881 6 V CB 1.748 33.568 31.823 -0.006 0.000 0.983 6 V HN 0.669 nan 8.190 nan 0.000 0.445 7 Q N 2.713 122.501 119.800 -0.021 0.000 2.307 7 Q HA 0.678 5.018 4.340 0.000 0.000 0.262 7 Q C 0.104 176.096 176.000 -0.015 0.000 0.961 7 Q CA -0.107 55.687 55.803 -0.014 0.000 0.882 7 Q CB 2.338 31.067 28.738 -0.016 0.000 1.264 7 Q HN 0.989 nan 8.270 nan 0.000 0.446 8 G N 2.551 111.345 108.800 -0.010 0.000 2.798 8 G HA2 0.721 4.681 3.960 0.000 0.000 0.286 8 G HA3 0.721 4.681 3.960 0.000 0.000 0.286 8 G C -2.833 172.063 174.900 -0.007 0.000 1.389 8 G CA -1.179 43.916 45.100 -0.009 0.000 0.894 8 G HN 0.322 nan 8.290 nan 0.000 0.488 9 P HA 0.374 nan 4.420 nan 0.000 0.286 9 P C -0.752 176.544 177.300 -0.007 0.000 1.261 9 P CA -0.119 62.978 63.100 -0.006 0.000 0.821 9 P CB 1.638 33.336 31.700 -0.004 0.000 1.013 10 T N -0.822 113.728 114.554 -0.007 0.000 3.011 10 T HA 0.381 4.731 4.350 0.000 0.000 0.303 10 T C -0.059 174.639 174.700 -0.004 0.000 0.997 10 T CA -1.055 61.041 62.100 -0.007 0.000 1.007 10 T CB 1.097 69.959 68.868 -0.011 0.000 1.017 10 T HN 0.533 nan 8.240 nan 0.000 0.443 11 R N 4.256 124.754 120.500 -0.003 0.000 2.442 11 R HA 0.396 4.736 4.340 0.000 0.000 0.291 11 R C -0.851 175.450 176.300 0.001 0.000 1.069 11 R CA -0.550 55.549 56.100 -0.001 0.000 1.022 11 R CB 0.239 30.539 30.300 -0.001 0.000 0.976 11 R HN 0.709 nan 8.270 nan 0.000 0.443 12 L N 5.014 126.241 121.223 0.007 0.000 2.265 12 L HA 0.298 4.638 4.340 0.000 0.000 0.288 12 L C 0.154 177.033 176.870 0.015 0.000 1.058 12 L CA -0.277 54.574 54.840 0.018 0.000 0.809 12 L CB 1.060 43.143 42.059 0.040 0.000 1.179 12 L HN 0.761 nan 8.230 nan 0.000 0.429 13 Q N 3.671 123.474 119.800 0.005 0.000 2.522 13 Q HA 0.711 5.051 4.340 0.000 0.000 0.285 13 Q C -0.576 175.413 176.000 -0.018 0.000 0.982 13 Q CA 0.092 55.892 55.803 -0.005 0.000 0.805 13 Q CB 2.790 31.522 28.738 -0.011 0.000 1.457 13 Q HN 0.717 nan 8.270 nan 0.000 0.394 14 G N 1.645 110.429 108.800 -0.027 0.000 2.250 14 G HA2 -0.007 3.953 3.960 0.000 0.000 0.189 14 G HA3 -0.007 3.953 3.960 0.000 0.000 0.189 14 G C -1.426 173.441 174.900 -0.055 0.000 1.298 14 G CA -0.172 44.902 45.100 -0.042 0.000 1.246 14 G HN 0.650 nan 8.290 nan 0.000 0.513 15 E N -1.487 118.667 120.200 -0.076 0.000 2.369 15 E HA 0.663 5.013 4.350 0.000 0.000 0.270 15 E C -1.459 175.053 176.600 -0.148 0.000 0.909 15 E CA -0.747 55.597 56.400 -0.093 0.000 0.775 15 E CB 3.180 32.831 29.700 -0.082 0.000 1.270 15 E HN 0.939 nan 8.360 nan 0.000 0.445 16 V N 0.839 120.647 119.914 -0.177 0.000 3.048 16 V HA 0.440 4.560 4.120 0.000 0.000 0.303 16 V C -1.521 174.471 176.094 -0.170 0.000 1.214 16 V CA -0.271 61.861 62.300 -0.279 0.000 0.984 16 V CB 2.520 33.957 31.823 -0.642 0.000 1.054 16 V HN 0.710 nan 8.190 nan 0.000 0.430 17 T N 7.313 121.786 114.554 -0.136 0.000 2.756 17 T HA 0.531 4.881 4.350 0.000 0.000 0.290 17 T C -0.183 174.500 174.700 -0.029 0.000 0.985 17 T CA -0.268 61.798 62.100 -0.056 0.000 0.955 17 T CB 0.631 69.479 68.868 -0.034 0.000 0.930 17 T HN 0.482 nan 8.240 nan 0.000 0.451 18 I N 3.200 123.779 120.570 0.014 0.000 2.648 18 I HA 0.132 4.302 4.170 0.000 0.000 0.284 18 I C 1.176 177.320 176.117 0.044 0.000 1.153 18 I CA 0.148 61.484 61.300 0.060 0.000 1.426 18 I CB 0.285 38.332 38.000 0.078 0.000 1.381 18 I HN 0.565 nan 8.210 nan 0.000 0.571 19 S N 4.005 119.741 115.700 0.059 0.000 2.681 19 S HA 0.502 4.973 4.470 0.000 0.000 0.270 19 S C 0.651 175.257 174.600 0.011 0.000 1.209 19 S CA -0.573 57.646 58.200 0.032 0.000 0.988 19 S CB 1.183 64.409 63.200 0.044 0.000 1.006 19 S HN 0.850 nan 8.310 nan 0.000 0.558 20 G N 0.146 108.941 108.800 -0.008 0.000 2.554 20 G HA2 0.435 4.395 3.960 0.000 0.000 0.238 20 G HA3 0.435 4.395 3.960 0.000 0.000 0.238 20 G C -0.057 174.829 174.900 -0.022 0.000 1.259 20 G CA -0.336 44.750 45.100 -0.022 0.000 0.843 20 G HN 0.894 nan 8.290 nan 0.000 0.582 21 A N 1.422 124.228 122.820 -0.025 0.000 2.491 21 A HA 0.253 4.573 4.320 0.000 0.000 0.261 21 A C 1.645 179.214 177.584 -0.026 0.000 1.101 21 A CA 0.337 52.357 52.037 -0.028 0.000 0.772 21 A CB 0.253 19.239 19.000 -0.025 0.000 1.043 21 A HN 0.928 nan 8.150 nan 0.000 0.501 22 K N 2.597 122.976 120.400 -0.034 0.000 2.032 22 K HA -0.181 4.139 4.320 0.000 0.000 0.209 22 K C 0.506 177.126 176.600 0.034 0.000 1.048 22 K CA 1.982 58.262 56.287 -0.012 0.000 0.927 22 K CB -0.131 32.345 32.500 -0.040 0.000 0.712 22 K HN 0.710 nan 8.250 nan 0.000 0.441 23 N N 0.079 118.802 118.700 0.038 0.000 2.501 23 N HA 0.015 4.755 4.740 0.000 0.000 0.195 23 N C 0.526 176.067 175.510 0.051 0.000 1.213 23 N CA 0.741 53.850 53.050 0.098 0.000 0.864 23 N CB 0.844 39.391 38.487 0.100 0.000 0.999 23 N HN 0.379 nan 8.380 nan 0.000 0.454 24 A N -0.217 122.604 122.820 0.000 0.000 2.026 24 A HA 0.464 4.784 4.320 0.000 0.000 0.198 24 A C 2.094 179.629 177.584 -0.081 0.000 1.390 24 A CA 0.637 52.646 52.037 -0.047 0.000 0.915 24 A CB -0.318 18.666 19.000 -0.027 0.000 0.974 24 A HN 0.178 nan 8.150 nan 0.000 0.477 25 A N 0.446 123.234 122.820 -0.052 0.000 1.877 25 A HA -0.011 4.309 4.320 0.000 0.000 0.216 25 A C 2.105 179.653 177.584 -0.060 0.000 1.186 25 A CA 1.511 53.499 52.037 -0.081 0.000 0.620 25 A CB -0.702 18.265 19.000 -0.056 0.000 0.822 25 A HN 0.434 nan 8.150 nan 0.000 0.443 26 L N -0.025 121.229 121.223 0.053 0.000 1.994 26 L HA -0.121 4.219 4.340 0.000 0.000 0.208 26 L C -0.180 176.818 176.870 0.213 0.000 1.071 26 L CA 1.874 56.847 54.840 0.221 0.000 0.745 26 L CB -1.442 40.881 42.059 0.440 0.000 0.892 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 P HA -0.166 nan 4.420 nan 0.000 0.218 27 P C 1.802 178.944 177.300 -0.263 0.000 1.149 27 P CA 1.605 64.359 63.100 -0.575 0.000 0.817 27 P CB 0.058 31.151 31.700 -1.011 0.000 0.785 28 I N -0.736 119.676 120.570 -0.263 0.000 2.353 28 I HA -0.172 3.998 4.170 0.000 0.000 0.248 28 I C 2.628 178.524 176.117 -0.368 0.000 1.119 28 I CA 0.939 61.982 61.300 -0.428 0.000 1.417 28 I CB -0.492 37.091 38.000 -0.695 0.000 1.078 28 I HN -0.148 nan 8.210 nan 0.000 0.421 29 L N -0.398 120.680 121.223 -0.242 0.000 2.046 29 L HA -0.211 4.129 4.340 0.000 0.000 0.208 29 L C 2.414 179.191 176.870 -0.155 0.000 1.077 29 L CA 1.582 56.288 54.840 -0.224 0.000 0.747 29 L CB -0.485 41.417 42.059 -0.262 0.000 0.896 29 L HN 0.144 nan 8.230 nan 0.000 0.432 30 F N -0.423 119.527 119.950 -0.000 0.000 2.259 30 F HA -0.122 4.405 4.527 0.000 0.000 0.298 30 F C 2.558 178.403 175.800 0.074 0.000 1.088 30 F CA 0.902 58.945 58.000 0.072 0.000 1.358 30 F CB -0.447 38.638 39.000 0.141 0.000 1.040 30 F HN 0.001 nan 8.300 nan 0.000 0.505 31 A N 0.100 123.045 122.820 0.209 0.000 2.019 31 A HA -0.089 4.231 4.320 0.000 0.000 0.219 31 A C 2.335 180.091 177.584 0.286 0.000 1.164 31 A CA 1.426 53.595 52.037 0.221 0.000 0.644 31 A CB -1.144 18.011 19.000 0.258 0.000 0.805 31 A HN 0.294 nan 8.150 nan 0.000 0.449 32 A N -0.316 122.680 122.820 0.292 0.000 2.131 32 A HA -0.022 4.298 4.320 0.000 0.000 0.220 32 A C 1.955 179.653 177.584 0.191 0.000 1.158 32 A CA 1.223 53.427 52.037 0.278 0.000 0.665 32 A CB -0.585 18.524 19.000 0.182 0.000 0.795 32 A HN 0.503 nan 8.150 nan 0.000 0.460 33 L N -0.849 120.492 121.223 0.197 0.000 2.353 33 L HA -0.140 4.200 4.340 0.000 0.000 0.220 33 L C 2.069 179.078 176.870 0.232 0.000 1.133 33 L CA 0.658 55.637 54.840 0.232 0.000 0.798 33 L CB -0.303 41.927 42.059 0.284 0.000 0.922 33 L HN 0.431 nan 8.230 nan 0.000 0.445 34 L N -0.628 120.689 121.223 0.157 0.000 2.341 34 L HA 0.093 4.433 4.340 0.000 0.000 0.214 34 L C 1.385 178.272 176.870 0.029 0.000 1.115 34 L CA -0.321 54.561 54.840 0.071 0.000 0.820 34 L CB -0.363 41.712 42.059 0.027 0.000 0.944 34 L HN 0.110 nan 8.230 nan 0.000 0.452 35 A N 0.447 123.301 122.820 0.057 0.000 2.454 35 A HA 0.097 4.417 4.320 0.000 0.000 0.260 35 A C 0.997 178.613 177.584 0.053 0.000 1.106 35 A CA -0.149 51.907 52.037 0.031 0.000 0.780 35 A CB 0.226 19.258 19.000 0.053 0.000 1.044 35 A HN 0.313 nan 8.150 nan 0.000 0.498 36 E N 1.528 121.741 120.200 0.023 0.000 2.276 36 E HA -0.007 4.343 4.350 0.000 0.000 0.193 36 E C 0.029 176.656 176.600 0.044 0.000 0.983 36 E CA 0.519 56.941 56.400 0.035 0.000 0.861 36 E CB 0.343 30.047 29.700 0.005 0.000 0.817 36 E HN 0.861 nan 8.360 nan 0.000 0.485 37 E N 1.028 121.249 120.200 0.036 0.000 2.243 37 E HA 0.294 4.645 4.350 0.000 0.000 0.260 37 E C -2.597 174.042 176.600 0.064 0.000 0.985 37 E CA -2.424 54.002 56.400 0.043 0.000 0.858 37 E CB 0.925 30.642 29.700 0.028 0.000 1.210 37 E HN -0.164 nan 8.360 nan 0.000 0.411 38 P HA -0.056 nan 4.420 nan 0.000 0.266 38 P C -1.121 176.251 177.300 0.119 0.000 1.186 38 P CA 0.319 63.483 63.100 0.107 0.000 0.767 38 P CB 0.435 32.203 31.700 0.112 0.000 0.820 39 V N 2.052 122.055 119.914 0.149 0.000 2.808 39 V HA 0.362 4.482 4.120 0.000 0.000 0.308 39 V C -0.331 175.836 176.094 0.121 0.000 1.099 39 V CA -0.481 61.914 62.300 0.157 0.000 0.920 39 V CB 2.108 34.051 31.823 0.200 0.000 1.014 39 V HN 0.497 nan 8.190 nan 0.000 0.425 40 E N 4.230 124.464 120.200 0.055 0.000 2.216 40 E HA 0.567 4.917 4.350 0.000 0.000 0.260 40 E C -1.568 174.925 176.600 -0.178 0.000 0.880 40 E CA -0.584 55.696 56.400 -0.201 0.000 0.765 40 E CB 1.620 31.187 29.700 -0.221 0.000 1.174 40 E HN 0.669 nan 8.360 nan 0.000 0.417 41 I N 4.508 124.908 120.570 -0.283 0.000 2.330 41 I HA 0.184 4.354 4.170 0.000 0.000 0.289 41 I C 0.268 176.211 176.117 -0.289 0.000 1.001 41 I CA -0.521 60.649 61.300 -0.215 0.000 1.193 41 I CB 1.398 39.251 38.000 -0.244 0.000 1.345 41 I HN 0.380 nan 8.210 nan 0.000 0.461 42 Q N 3.953 123.623 119.800 -0.216 0.000 2.212 42 Q HA 0.275 4.615 4.340 0.000 0.000 0.238 42 Q C 0.361 176.267 176.000 -0.157 0.000 0.955 42 Q CA -0.712 54.962 55.803 -0.214 0.000 0.906 42 Q CB 0.700 29.335 28.738 -0.171 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.601 118.021 118.700 -0.130 0.000 2.740 43 N HA -0.167 4.573 4.740 0.000 0.000 0.248 43 N C -1.662 173.799 175.510 -0.081 0.000 1.062 43 N CA 0.240 53.237 53.050 -0.088 0.000 0.704 43 N CB -0.915 37.523 38.487 -0.081 0.000 0.968 43 N HN 0.328 nan 8.380 nan 0.000 0.547 44 V N 1.760 121.615 119.914 -0.097 0.000 2.432 44 V HA 0.368 4.488 4.120 0.000 0.000 0.271 44 V C -1.374 174.693 176.094 -0.046 0.000 1.046 44 V CA -1.060 61.191 62.300 -0.082 0.000 0.945 44 V CB 1.104 32.861 31.823 -0.109 0.000 0.992 44 V HN 0.222 nan 8.190 nan 0.000 0.471 45 P HA 0.153 nan 4.420 nan 0.000 0.272 45 P C -0.768 176.535 177.300 0.004 0.000 1.223 45 P CA -0.447 62.650 63.100 -0.004 0.000 0.784 45 P CB 0.879 32.578 31.700 -0.003 0.000 0.923 46 K N 2.564 122.978 120.400 0.023 0.000 2.206 46 K HA 0.393 4.713 4.320 0.000 0.000 0.268 46 K C -0.194 176.431 176.600 0.042 0.000 1.111 46 K CA -0.208 56.098 56.287 0.031 0.000 0.955 46 K CB -0.076 32.448 32.500 0.039 0.000 1.406 46 K HN 0.421 nan 8.250 nan 0.000 0.427 47 L N 1.167 122.410 121.223 0.033 0.000 2.323 47 L HA 0.360 4.700 4.340 0.000 0.000 0.265 47 L C 1.401 178.294 176.870 0.038 0.000 1.012 47 L CA -1.064 53.801 54.840 0.042 0.000 0.820 47 L CB 1.318 43.396 42.059 0.032 0.000 1.334 47 L HN 0.287 nan 8.230 nan 0.000 0.427 48 K N 0.695 121.122 120.400 0.046 0.000 2.103 48 K HA -0.169 4.151 4.320 0.000 0.000 0.207 48 K C 1.044 177.664 176.600 0.033 0.000 1.048 48 K CA 1.701 58.011 56.287 0.037 0.000 0.930 48 K CB 0.092 32.619 32.500 0.044 0.000 0.716 48 K HN 0.614 nan 8.250 nan 0.000 0.444 49 D N 0.556 120.980 120.400 0.042 0.000 2.219 49 D HA -0.115 4.525 4.640 0.000 0.000 0.205 49 D C 1.830 178.158 176.300 0.047 0.000 0.970 49 D CA 0.529 54.559 54.000 0.052 0.000 0.851 49 D CB 0.067 40.907 40.800 0.067 0.000 0.943 49 D HN 0.162 nan 8.370 nan 0.000 0.488 50 I N 1.304 121.891 120.570 0.028 0.000 2.439 50 I HA -0.160 4.010 4.170 0.000 0.000 0.251 50 I C 1.659 177.772 176.117 -0.007 0.000 1.139 50 I CA 1.002 62.304 61.300 0.003 0.000 1.438 50 I CB -0.703 37.294 38.000 -0.004 0.000 1.085 50 I HN -0.064 nan 8.210 nan 0.000 0.427 51 D N 0.723 121.126 120.400 0.006 0.000 2.097 51 D HA -0.127 4.513 4.640 0.000 0.000 0.197 51 D C 2.141 178.440 176.300 -0.001 0.000 0.984 51 D CA 1.601 55.602 54.000 0.003 0.000 0.826 51 D CB -0.289 40.516 40.800 0.009 0.000 0.973 51 D HN 0.231 nan 8.370 nan 0.000 0.460 52 T N 0.487 115.047 114.554 0.009 0.000 2.720 52 T HA -0.116 4.234 4.350 0.000 0.000 0.268 52 T C 2.015 176.724 174.700 0.016 0.000 1.037 52 T CA 1.637 63.746 62.100 0.016 0.000 1.144 52 T CB -0.454 68.431 68.868 0.029 0.000 0.864 52 T HN 0.147 nan 8.240 nan 0.000 0.444 53 T N 2.062 116.615 114.554 -0.001 0.000 2.746 53 T HA 0.012 4.362 4.350 0.000 0.000 0.267 53 T C 2.056 176.668 174.700 -0.146 0.000 1.039 53 T CA 1.103 63.142 62.100 -0.102 0.000 1.142 53 T CB -0.335 68.419 68.868 -0.189 0.000 0.866 53 T HN 0.322 nan 8.240 nan 0.000 0.444 54 M N 0.551 120.096 119.600 -0.092 0.000 2.117 54 M HA -0.086 4.394 4.480 0.000 0.000 0.262 54 M C 2.311 178.585 176.300 -0.042 0.000 1.065 54 M CA 1.603 56.862 55.300 -0.069 0.000 1.114 54 M CB -0.318 32.262 32.600 -0.034 0.000 1.361 54 M HN 0.145 nan 8.290 nan 0.000 0.408 55 K N 0.454 120.840 120.400 -0.024 0.000 2.026 55 K HA -0.148 4.172 4.320 0.000 0.000 0.208 55 K C 1.965 178.561 176.600 -0.007 0.000 1.048 55 K CA 1.251 57.532 56.287 -0.010 0.000 0.929 55 K CB -0.424 32.075 32.500 -0.002 0.000 0.713 55 K HN 0.318 nan 8.250 nan 0.000 0.439 56 L N 1.408 122.632 121.223 0.002 0.000 1.989 56 L HA -0.226 4.114 4.340 0.000 0.000 0.211 56 L C 2.215 179.089 176.870 0.007 0.000 1.071 56 L CA 1.322 56.182 54.840 0.032 0.000 0.749 56 L CB -0.228 41.892 42.059 0.102 0.000 0.890 56 L HN 0.212 nan 8.230 nan 0.000 0.431 57 L N -0.744 120.452 121.223 -0.044 0.000 2.013 57 L HA -0.278 4.062 4.340 0.000 0.000 0.212 57 L C 2.532 179.384 176.870 -0.031 0.000 1.073 57 L CA 2.064 56.875 54.840 -0.048 0.000 0.753 57 L CB -1.023 40.978 42.059 -0.097 0.000 0.890 57 L HN 0.319 nan 8.230 nan 0.000 0.432 58 T N -1.214 113.323 114.554 -0.029 0.000 2.759 58 T HA -0.296 4.054 4.350 0.000 0.000 0.269 58 T C 1.834 176.513 174.700 -0.034 0.000 1.042 58 T CA 1.509 63.595 62.100 -0.024 0.000 1.140 58 T CB -0.194 68.665 68.868 -0.016 0.000 0.864 58 T HN 0.379 nan 8.240 nan 0.000 0.455 59 Q N 0.265 120.047 119.800 -0.029 0.000 2.291 59 Q HA 0.014 4.354 4.340 0.000 0.000 0.205 59 Q C 1.861 177.817 176.000 -0.072 0.000 0.970 59 Q CA 0.847 56.628 55.803 -0.037 0.000 0.876 59 Q CB -0.187 28.543 28.738 -0.014 0.000 0.935 59 Q HN 0.503 nan 8.270 nan 0.000 0.455 60 L N -0.831 120.346 121.223 -0.077 0.000 2.599 60 L HA 0.158 4.498 4.340 0.000 0.000 0.230 60 L C 1.017 177.769 176.870 -0.196 0.000 1.141 60 L CA 0.555 55.307 54.840 -0.148 0.000 0.877 60 L CB 0.182 42.185 42.059 -0.093 0.000 1.009 60 L HN 0.475 nan 8.230 nan 0.000 0.447 61 G N 0.130 108.857 108.800 -0.123 0.000 2.141 61 G HA2 -0.202 3.758 3.960 0.000 0.000 0.195 61 G HA3 -0.202 3.758 3.960 0.000 0.000 0.195 61 G C 0.107 174.974 174.900 -0.056 0.000 1.012 61 G CA -0.073 44.963 45.100 -0.107 0.000 0.696 61 G HN 0.214 nan 8.290 nan 0.000 0.508 62 T N 0.565 115.099 114.554 -0.034 0.000 2.907 62 T HA 0.554 4.904 4.350 0.000 0.000 0.284 62 T C 0.273 174.978 174.700 0.008 0.000 1.004 62 T CA -0.294 61.807 62.100 0.002 0.000 1.063 62 T CB 1.562 70.436 68.868 0.010 0.000 0.992 62 T HN 0.268 nan 8.240 nan 0.000 0.483 63 K N 2.142 122.559 120.400 0.028 0.000 2.264 63 K HA 0.570 4.890 4.320 0.000 0.000 0.277 63 K C -1.075 175.556 176.600 0.052 0.000 1.067 63 K CA -0.501 55.806 56.287 0.033 0.000 0.900 63 K CB 0.967 33.489 32.500 0.036 0.000 1.124 63 K HN 0.258 nan 8.250 nan 0.000 0.469 64 V N 3.284 123.225 119.914 0.045 0.000 2.656 64 V HA 0.391 4.511 4.120 0.000 0.000 0.307 64 V C -0.625 175.517 176.094 0.080 0.000 1.051 64 V CA -0.882 61.456 62.300 0.064 0.000 0.893 64 V CB 1.726 33.565 31.823 0.026 0.000 0.999 64 V HN 0.856 nan 8.190 nan 0.000 0.426 65 E N 4.237 124.525 120.200 0.146 0.000 2.335 65 E HA 0.744 5.094 4.350 0.000 0.000 0.280 65 E C -1.091 175.703 176.600 0.324 0.000 0.918 65 E CA -1.211 55.288 56.400 0.164 0.000 0.765 65 E CB 2.764 32.520 29.700 0.093 0.000 1.218 65 E HN 0.762 nan 8.360 nan 0.000 0.425 66 R N 0.838 121.494 120.500 0.261 0.000 2.922 66 R HA 0.471 4.811 4.340 0.000 0.000 0.256 66 R C -0.504 175.974 176.300 0.297 0.000 1.138 66 R CA -0.472 55.816 56.100 0.314 0.000 0.995 66 R CB 0.644 31.019 30.300 0.125 0.000 1.226 66 R HN 0.523 nan 8.270 nan 0.000 0.481 67 D N 0.133 120.700 120.400 0.278 0.000 2.230 67 D HA 0.074 4.714 4.640 0.000 0.000 0.274 67 D C 1.403 177.769 176.300 0.110 0.000 1.222 67 D CA 0.816 54.941 54.000 0.207 0.000 0.943 67 D CB -1.027 39.908 40.800 0.226 0.000 0.920 67 D HN 0.616 nan 8.370 nan 0.000 0.300 68 G N -1.074 107.769 108.800 0.071 0.000 2.744 68 G HA2 0.190 4.150 3.960 0.000 0.000 0.211 68 G HA3 0.190 4.150 3.960 0.000 0.000 0.211 68 G C 0.435 175.264 174.900 -0.119 0.000 1.146 68 G CA 0.172 45.265 45.100 -0.012 0.000 0.787 68 G HN 0.355 nan 8.290 nan 0.000 0.534 69 S N -1.160 114.387 115.700 -0.254 0.000 2.704 69 S HA 0.664 5.134 4.470 0.000 0.000 0.305 69 S C -0.873 173.381 174.600 -0.576 0.000 1.107 69 S CA -0.494 57.358 58.200 -0.580 0.000 0.993 69 S CB 2.466 64.996 63.200 -1.117 0.000 1.110 69 S HN -0.056 nan 8.310 nan 0.000 0.534 70 V N 1.889 121.474 119.914 -0.549 0.000 2.444 70 V HA 0.359 4.479 4.120 0.000 0.000 0.294 70 V C -1.056 174.856 176.094 -0.304 0.000 1.022 70 V CA -0.607 61.544 62.300 -0.249 0.000 0.850 70 V CB 1.120 32.856 31.823 -0.145 0.000 0.992 70 V HN 0.779 nan 8.190 nan 0.000 0.426 71 W N 5.515 126.816 121.300 0.001 0.000 2.361 71 W HA 0.566 5.226 4.660 0.000 0.000 0.309 71 W C -0.736 175.790 176.519 0.012 0.000 1.122 71 W CA -0.582 56.771 57.345 0.014 0.000 1.208 71 W CB 1.626 31.095 29.460 0.014 0.000 1.246 71 W HN 0.299 nan 8.180 nan 0.000 0.490 72 I N 3.161 123.843 120.570 0.186 0.000 2.474 72 I HA 0.161 4.331 4.170 0.000 0.000 0.294 72 I C -0.495 175.703 176.117 0.135 0.000 1.005 72 I CA -0.574 60.803 61.300 0.128 0.000 1.113 72 I CB 1.879 39.927 38.000 0.079 0.000 1.289 72 I HN 0.284 nan 8.210 nan 0.000 0.436 73 D N 5.046 125.511 120.400 0.108 0.000 2.389 73 D HA 0.505 5.145 4.640 0.000 0.000 0.256 73 D C -0.064 176.288 176.300 0.087 0.000 1.239 73 D CA -0.277 53.781 54.000 0.097 0.000 0.925 73 D CB 1.494 42.344 40.800 0.083 0.000 1.145 73 D HN 0.595 nan 8.370 nan 0.000 0.542 74 A N 2.419 125.302 122.820 0.104 0.000 2.577 74 A HA 0.194 4.514 4.320 0.000 0.000 0.280 74 A C 1.571 179.250 177.584 0.158 0.000 1.331 74 A CA 0.192 52.304 52.037 0.126 0.000 0.935 74 A CB -0.227 18.865 19.000 0.153 0.000 1.082 74 A HN 0.417 nan 8.150 nan 0.000 0.525 75 S N -0.461 115.312 115.700 0.122 0.000 2.461 75 S HA -0.055 4.415 4.470 0.000 0.000 0.228 75 S C 0.701 175.388 174.600 0.146 0.000 1.005 75 S CA 0.924 59.201 58.200 0.128 0.000 0.942 75 S CB -0.496 62.756 63.200 0.086 0.000 0.776 75 S HN 0.667 nan 8.310 nan 0.000 0.514 76 N N 1.255 120.021 118.700 0.110 0.000 2.538 76 N HA 0.301 5.041 4.740 0.000 0.000 0.291 76 N C -1.257 174.274 175.510 0.035 0.000 1.323 76 N CA -0.289 52.811 53.050 0.082 0.000 0.934 76 N CB 1.233 39.746 38.487 0.043 0.000 1.255 76 N HN 0.107 nan 8.380 nan 0.000 0.509 77 V N 2.775 122.726 119.914 0.063 0.000 2.485 77 V HA -0.008 4.112 4.120 0.000 0.000 0.287 77 V C 1.103 177.001 176.094 -0.326 0.000 1.022 77 V CA 0.272 62.484 62.300 -0.147 0.000 1.067 77 V CB 0.417 32.141 31.823 -0.165 0.000 0.967 77 V HN 0.599 nan 8.190 nan 0.000 0.479 78 N N 3.468 121.890 118.700 -0.463 0.000 2.360 78 N HA 0.054 4.794 4.740 0.000 0.000 0.211 78 N C 0.403 175.266 175.510 -1.079 0.000 1.147 78 N CA -0.254 52.472 53.050 -0.541 0.000 0.866 78 N CB 0.433 38.778 38.487 -0.237 0.000 1.206 78 N HN 0.564 nan 8.380 nan 0.000 0.478 79 N N -0.026 118.082 118.700 -0.988 0.000 2.456 79 N HA 0.330 5.070 4.740 0.000 0.000 0.296 79 N C -1.337 173.503 175.510 -1.118 0.000 1.102 79 N CA -0.534 51.978 53.050 -0.898 0.000 0.924 79 N CB 0.726 38.978 38.487 -0.391 0.000 1.186 79 N HN -0.006 nan 8.380 nan 0.000 0.492 80 F N -0.006 119.888 119.950 -0.094 0.000 2.814 80 F HA 0.372 4.899 4.527 0.000 0.000 0.326 80 F C 0.568 176.369 175.800 0.002 0.000 1.159 80 F CA -0.567 57.395 58.000 -0.064 0.000 1.234 80 F CB 0.101 39.062 39.000 -0.065 0.000 1.016 80 F HN 0.270 nan 8.300 nan 0.000 0.510 81 S N 1.043 116.793 115.700 0.084 0.000 2.566 81 S HA 0.874 5.344 4.470 0.000 0.000 0.298 81 S C -0.642 174.031 174.600 0.122 0.000 1.083 81 S CA -0.419 57.844 58.200 0.105 0.000 0.978 81 S CB 1.554 64.774 63.200 0.034 0.000 1.073 81 S HN 0.185 nan 8.310 nan 0.000 0.491 82 A N 5.156 128.091 122.820 0.192 0.000 2.431 82 A HA 0.636 4.956 4.320 0.000 0.000 0.318 82 A C -2.624 175.115 177.584 0.258 0.000 1.330 82 A CA -1.785 50.360 52.037 0.180 0.000 0.804 82 A CB 0.312 19.403 19.000 0.153 0.000 1.135 82 A HN 0.683 nan 8.150 nan 0.000 0.483 83 P HA -0.170 nan 4.420 nan 0.000 0.267 83 P C 0.341 177.775 177.300 0.224 0.000 1.195 83 P CA 0.388 63.664 63.100 0.294 0.000 0.773 83 P CB 0.571 32.373 31.700 0.170 0.000 0.837 84 Y N 3.502 123.889 120.300 0.144 0.000 2.070 84 Y HA -0.274 4.276 4.550 0.000 0.000 0.280 84 Y C 2.057 177.948 175.900 -0.016 0.000 1.148 84 Y CA 2.651 60.728 58.100 -0.038 0.000 1.125 84 Y CB -0.798 37.639 38.460 -0.037 0.000 0.975 84 Y HN 0.382 nan 8.280 nan 0.000 0.492 85 D N -0.052 120.385 120.400 0.061 0.000 2.384 85 D HA -0.205 4.435 4.640 0.000 0.000 0.222 85 D C 1.948 178.185 176.300 -0.106 0.000 0.976 85 D CA 1.051 55.017 54.000 -0.056 0.000 0.915 85 D CB -0.528 40.327 40.800 0.091 0.000 0.896 85 D HN 0.541 nan 8.370 nan 0.000 0.523 86 L N 0.417 121.592 121.223 -0.079 0.000 2.269 86 L HA -0.021 4.319 4.340 0.000 0.000 0.200 86 L C 2.444 179.259 176.870 -0.092 0.000 1.069 86 L CA 0.383 55.192 54.840 -0.051 0.000 0.804 86 L CB 0.094 42.161 42.059 0.013 0.000 0.987 86 L HN 0.005 nan 8.230 nan 0.000 0.468 87 V N -0.678 119.159 119.914 -0.128 0.000 2.809 87 V HA -0.199 3.921 4.120 0.000 0.000 0.256 87 V C 2.232 178.187 176.094 -0.232 0.000 1.080 87 V CA 1.717 63.927 62.300 -0.150 0.000 1.102 87 V CB -0.861 30.872 31.823 -0.149 0.000 0.705 87 V HN 0.619 nan 8.190 nan 0.000 0.475 88 K N 1.676 121.856 120.400 -0.366 0.000 2.442 88 K HA -0.088 4.232 4.320 0.000 0.000 0.198 88 K C 1.737 178.207 176.600 -0.216 0.000 1.042 88 K CA 1.675 57.728 56.287 -0.391 0.000 0.958 88 K CB -0.667 31.448 32.500 -0.642 0.000 0.766 88 K HN 0.660 nan 8.250 nan 0.000 0.474 89 T N -2.242 112.214 114.554 -0.163 0.000 3.022 89 T HA 0.198 4.548 4.350 0.000 0.000 0.250 89 T C 0.563 175.224 174.700 -0.066 0.000 1.060 89 T CA -0.414 61.625 62.100 -0.101 0.000 1.013 89 T CB 0.061 68.879 68.868 -0.084 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.228 121.782 119.600 -0.076 0.000 2.356 90 M HA 0.332 4.812 4.480 0.000 0.000 0.215 90 M C 0.621 176.861 176.300 -0.100 0.000 0.978 90 M CA -0.639 54.629 55.300 -0.053 0.000 0.972 90 M CB 1.365 33.971 32.600 0.010 0.000 2.529 90 M HN 0.139 nan 8.290 nan 0.000 0.447 91 R N 2.157 122.570 120.500 -0.145 0.000 2.241 91 R HA 0.020 4.360 4.340 0.000 0.000 0.224 91 R C 1.045 177.152 176.300 -0.322 0.000 1.101 91 R CA 1.588 57.559 56.100 -0.214 0.000 0.995 91 R CB -0.386 29.789 30.300 -0.208 0.000 0.870 91 R HN 0.663 nan 8.270 nan 0.000 0.463 92 A N 1.184 123.817 122.820 -0.312 0.000 2.178 92 A HA -0.035 4.285 4.320 0.000 0.000 0.218 92 A C 1.951 179.229 177.584 -0.509 0.000 1.157 92 A CA 1.182 52.908 52.037 -0.518 0.000 0.689 92 A CB -0.346 18.511 19.000 -0.238 0.000 0.787 92 A HN 0.441 nan 8.150 nan 0.000 0.465 93 S N -0.266 115.270 115.700 -0.273 0.000 2.440 93 S HA -0.160 4.310 4.470 0.000 0.000 0.238 93 S C 1.648 176.023 174.600 -0.374 0.000 1.010 93 S CA 1.187 59.261 58.200 -0.210 0.000 0.972 93 S CB -0.415 62.782 63.200 -0.004 0.000 0.774 93 S HN 0.617 nan 8.310 nan 0.000 0.501 94 I N 0.887 121.209 120.570 -0.414 0.000 2.530 94 I HA -0.107 4.063 4.170 0.000 0.000 0.257 94 I C 1.325 177.286 176.117 -0.259 0.000 1.179 94 I CA 0.899 61.988 61.300 -0.351 0.000 1.440 94 I CB -0.378 37.318 38.000 -0.506 0.000 1.087 94 I HN 0.373 nan 8.210 nan 0.000 0.440 95 W N 0.503 121.488 121.300 -0.524 0.000 2.848 95 W HA 0.096 4.756 4.660 0.000 0.000 0.241 95 W C 2.267 178.578 176.519 -0.345 0.000 1.289 95 W CA 0.703 57.776 57.345 -0.455 0.000 1.396 95 W CB -1.150 27.957 29.460 -0.588 0.000 1.138 95 W HN 0.314 nan 8.180 nan 0.000 0.677 96 A N -0.487 122.269 122.820 -0.107 0.000 1.975 96 A HA -0.047 4.273 4.320 0.000 0.000 0.215 96 A C 1.941 179.646 177.584 0.202 0.000 1.170 96 A CA 0.635 52.803 52.037 0.219 0.000 0.656 96 A CB -0.587 18.602 19.000 0.315 0.000 0.821 96 A HN 0.116 nan 8.150 nan 0.000 0.449 97 L N 0.447 121.751 121.223 0.135 0.000 1.990 97 L HA -0.116 4.224 4.340 0.000 0.000 0.213 97 L C 2.431 179.394 176.870 0.154 0.000 1.072 97 L CA 2.431 57.354 54.840 0.139 0.000 0.755 97 L CB -1.085 41.034 42.059 0.101 0.000 0.889 97 L HN 0.329 nan 8.230 nan 0.000 0.432 98 G N -0.762 108.137 108.800 0.164 0.000 2.545 98 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 98 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 98 G C -0.605 174.380 174.900 0.141 0.000 1.218 98 G CA 1.062 46.250 45.100 0.146 0.000 0.787 98 G HN 0.384 nan 8.290 nan 0.000 0.571 99 P HA -0.046 nan 4.420 nan 0.000 0.215 99 P C 2.161 179.604 177.300 0.238 0.000 1.153 99 P CA 0.744 63.954 63.100 0.184 0.000 0.853 99 P CB -0.134 31.703 31.700 0.228 0.000 0.788 100 L N -0.913 120.487 121.223 0.295 0.000 1.989 100 L HA -0.168 4.172 4.340 0.000 0.000 0.211 100 L C 2.480 179.516 176.870 0.276 0.000 1.071 100 L CA 1.560 56.633 54.840 0.389 0.000 0.749 100 L CB -1.306 40.950 42.059 0.328 0.000 0.890 100 L HN -0.081 nan 8.230 nan 0.000 0.431 101 V N -0.225 119.782 119.914 0.156 0.000 2.515 101 V HA -0.187 3.933 4.120 0.000 0.000 0.250 101 V C 2.490 178.610 176.094 0.043 0.000 1.058 101 V CA 1.706 64.051 62.300 0.076 0.000 1.064 101 V CB 0.015 31.873 31.823 0.059 0.000 0.675 101 V HN 0.421 nan 8.190 nan 0.000 0.461 102 A N -0.089 122.762 122.820 0.051 0.000 1.968 102 A HA -0.109 4.211 4.320 0.000 0.000 0.217 102 A C 2.419 179.970 177.584 -0.055 0.000 1.169 102 A CA 1.673 53.711 52.037 0.002 0.000 0.638 102 A CB -0.437 18.570 19.000 0.012 0.000 0.812 102 A HN 0.581 nan 8.150 nan 0.000 0.446 103 R N -2.332 118.121 120.500 -0.078 0.000 2.175 103 R HA 0.173 4.513 4.340 0.000 0.000 0.202 103 R C 0.451 176.430 176.300 -0.535 0.000 1.018 103 R CA 0.640 56.543 56.100 -0.329 0.000 1.029 103 R CB 0.066 30.090 30.300 -0.459 0.000 0.959 103 R HN 0.437 nan 8.270 nan 0.000 0.480 104 F N -0.457 119.458 119.950 -0.058 0.000 2.661 104 F HA 0.403 4.931 4.527 0.000 0.000 0.306 104 F C 1.285 176.935 175.800 -0.251 0.000 1.094 104 F CA 0.326 58.218 58.000 -0.179 0.000 1.254 104 F CB 1.373 40.167 39.000 -0.344 0.000 1.040 104 F HN 0.247 nan 8.300 nan 0.000 0.562 105 G N 1.093 109.871 108.800 -0.036 0.000 2.196 105 G HA2 -0.288 3.672 3.960 0.000 0.000 0.268 105 G HA3 -0.288 3.672 3.960 0.000 0.000 0.268 105 G C 0.121 174.977 174.900 -0.073 0.000 0.975 105 G CA 0.732 45.799 45.100 -0.055 0.000 0.648 105 G HN 0.535 nan 8.290 nan 0.000 0.538 106 Q N -1.898 117.835 119.800 -0.112 0.000 2.575 106 Q HA 0.676 5.016 4.340 0.000 0.000 0.290 106 Q C -0.439 175.533 176.000 -0.047 0.000 0.963 106 Q CA -0.540 55.197 55.803 -0.109 0.000 0.783 106 Q CB 1.755 30.377 28.738 -0.193 0.000 1.467 106 Q HN 1.686 nan 8.270 nan 0.000 0.402 107 G N 0.948 109.774 108.800 0.043 0.000 2.429 107 G HA2 0.424 4.384 3.960 0.000 0.000 0.300 107 G HA3 0.424 4.384 3.960 0.000 0.000 0.300 107 G C -2.212 172.768 174.900 0.134 0.000 1.598 107 G CA -0.497 44.686 45.100 0.139 0.000 0.863 107 G HN 0.822 nan 8.290 nan 0.000 0.614 108 Q N -0.300 119.600 119.800 0.165 0.000 2.263 108 Q HA 0.699 5.039 4.340 0.000 0.000 0.262 108 Q C -1.587 174.553 176.000 0.234 0.000 0.984 108 Q CA -1.060 54.850 55.803 0.178 0.000 0.813 108 Q CB 2.616 31.445 28.738 0.151 0.000 1.299 108 Q HN 0.535 nan 8.270 nan 0.000 0.428 109 V N 1.537 121.576 119.914 0.209 0.000 2.604 109 V HA 0.454 4.574 4.120 0.000 0.000 0.305 109 V C 0.008 176.152 176.094 0.083 0.000 1.043 109 V CA -0.807 61.589 62.300 0.159 0.000 0.888 109 V CB 1.884 33.739 31.823 0.054 0.000 0.995 109 V HN 0.906 nan 8.190 nan 0.000 0.429 110 S N 4.158 119.818 115.700 -0.067 0.000 2.537 110 S HA 0.193 4.664 4.470 0.000 0.000 0.286 110 S C -0.066 174.405 174.600 -0.214 0.000 1.299 110 S CA -0.396 57.544 58.200 -0.433 0.000 1.067 110 S CB -0.025 62.908 63.200 -0.445 0.000 0.864 110 S HN 0.648 nan 8.310 nan 0.000 0.494 111 L N 8.111 129.225 121.223 -0.182 0.000 2.597 111 L HA 0.230 4.570 4.340 0.000 0.000 0.271 111 L C -1.663 175.145 176.870 -0.105 0.000 1.157 111 L CA -1.475 53.300 54.840 -0.109 0.000 0.928 111 L CB 0.468 42.487 42.059 -0.067 0.000 1.216 111 L HN 0.595 nan 8.230 nan 0.000 0.481 112 P HA 0.082 nan 4.420 nan 0.000 0.268 112 P C 0.005 177.257 177.300 -0.080 0.000 1.205 112 P CA -0.203 62.821 63.100 -0.127 0.000 0.771 112 P CB 0.957 32.559 31.700 -0.163 0.000 0.858 113 G N 1.922 110.686 108.800 -0.060 0.000 2.504 113 G HA2 0.470 4.430 3.960 0.000 0.000 0.257 113 G HA3 0.470 4.430 3.960 0.000 0.000 0.257 113 G C 0.239 175.117 174.900 -0.036 0.000 1.451 113 G CA -0.404 44.681 45.100 -0.026 0.000 1.059 113 G HN 0.624 nan 8.290 nan 0.000 0.550 114 G N -2.107 106.682 108.800 -0.020 0.000 2.569 114 G HA2 0.404 4.364 3.960 0.000 0.000 0.249 114 G HA3 0.404 4.364 3.960 0.000 0.000 0.249 114 G C -0.358 174.524 174.900 -0.030 0.000 1.216 114 G CA 0.096 45.185 45.100 -0.020 0.000 0.845 114 G HN 0.703 nan 8.290 nan 0.000 0.568 115 C N 0.195 119.474 119.300 -0.035 0.000 2.630 115 C HA 0.714 5.174 4.460 0.000 0.000 0.346 115 C C 1.971 176.933 174.990 -0.047 0.000 1.245 115 C CA 0.260 59.246 59.018 -0.052 0.000 1.804 115 C CB 1.222 28.908 27.740 -0.089 0.000 2.279 115 C HN 1.025 nan 8.230 nan 0.000 0.498 116 A N 1.574 124.361 122.820 -0.055 0.000 1.877 116 A HA -0.079 4.241 4.320 0.000 0.000 0.216 116 A C 1.694 179.235 177.584 -0.071 0.000 1.186 116 A CA 2.128 54.135 52.037 -0.051 0.000 0.620 116 A CB -0.727 18.240 19.000 -0.055 0.000 0.822 116 A HN 1.076 nan 8.150 nan 0.000 0.443 117 I N -4.114 116.377 120.570 -0.133 0.000 3.564 117 I HA 0.464 4.634 4.170 0.000 0.000 0.294 117 I C 0.728 176.810 176.117 -0.059 0.000 1.289 117 I CA 0.438 61.649 61.300 -0.149 0.000 1.325 117 I CB -0.372 37.431 38.000 -0.328 0.000 1.039 117 I HN 0.295 nan 8.210 nan 0.000 0.474 118 G N -0.166 108.622 108.800 -0.021 0.000 2.340 118 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 118 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 118 G C 0.075 175.003 174.900 0.048 0.000 1.498 118 G CA -0.288 44.856 45.100 0.074 0.000 0.847 118 G HN 0.042 nan 8.290 nan 0.000 0.594 119 A N 0.203 123.052 122.820 0.048 0.000 1.902 119 A HA 0.207 4.527 4.320 0.000 0.000 0.217 119 A C 1.574 179.174 177.584 0.027 0.000 1.181 119 A CA 1.975 54.026 52.037 0.023 0.000 0.623 119 A CB -0.571 18.439 19.000 0.016 0.000 0.818 119 A HN 1.562 nan 8.150 nan 0.000 0.443 120 R N -1.261 119.281 120.500 0.070 0.000 3.152 120 R HA -0.109 4.231 4.340 0.000 0.000 0.252 120 R C -2.419 173.891 176.300 0.016 0.000 0.930 120 R CA 0.394 56.542 56.100 0.080 0.000 0.642 120 R CB -2.134 28.213 30.300 0.078 0.000 1.205 120 R HN 0.558 nan 8.270 nan 0.000 0.452 121 P HA 0.036 nan 4.420 nan 0.000 0.272 121 P C 0.168 177.471 177.300 0.005 0.000 1.240 121 P CA -0.253 62.847 63.100 -0.001 0.000 0.791 121 P CB 1.057 32.760 31.700 0.006 0.000 0.978 122 V N 0.935 120.845 119.914 -0.007 0.000 3.070 122 V HA -0.010 4.110 4.120 0.000 0.000 0.345 122 V C 1.648 177.815 176.094 0.121 0.000 1.403 122 V CA 0.148 62.450 62.300 0.003 0.000 1.155 122 V CB -0.561 31.131 31.823 -0.218 0.000 1.140 122 V HN 0.618 nan 8.190 nan 0.000 0.505 123 D N 0.396 120.853 120.400 0.096 0.000 2.133 123 D HA -0.271 4.369 4.640 0.000 0.000 0.195 123 D C 1.777 178.175 176.300 0.165 0.000 0.997 123 D CA 1.552 55.614 54.000 0.104 0.000 0.840 123 D CB -0.103 40.725 40.800 0.048 0.000 0.947 123 D HN 0.510 nan 8.370 nan 0.000 0.452 124 L N -0.027 121.288 121.223 0.153 0.000 2.201 124 L HA -0.126 4.215 4.340 0.000 0.000 0.212 124 L C 2.826 179.821 176.870 0.208 0.000 1.105 124 L CA 0.908 55.840 54.840 0.153 0.000 0.775 124 L CB -0.653 41.434 42.059 0.046 0.000 0.913 124 L HN 0.137 nan 8.230 nan 0.000 0.440 125 H N 0.056 119.196 119.070 0.117 0.000 2.293 125 H HA -0.125 4.431 4.556 0.000 0.000 0.300 125 H C 2.456 177.849 175.328 0.109 0.000 1.082 125 H CA 1.843 57.957 56.048 0.109 0.000 1.308 125 H CB 0.067 29.869 29.762 0.066 0.000 1.375 125 H HN 0.320 nan 8.280 nan 0.000 0.495 126 I N 0.371 121.090 120.570 0.248 0.000 2.179 126 I HA -0.289 3.881 4.170 0.000 0.000 0.242 126 I C 2.571 178.779 176.117 0.151 0.000 1.088 126 I CA 1.151 62.548 61.300 0.162 0.000 1.357 126 I CB -0.395 37.684 38.000 0.132 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.970 121.950 119.950 0.051 0.000 2.091 127 F HA -0.192 4.335 4.527 0.000 0.000 0.299 127 F C 2.269 178.084 175.800 0.025 0.000 1.103 127 F CA 1.819 59.836 58.000 0.029 0.000 1.228 127 F CB -0.848 38.163 39.000 0.018 0.000 0.984 127 F HN -0.005 nan 8.300 nan 0.000 0.477 128 G N 0.890 109.704 108.800 0.024 0.000 2.421 128 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 128 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 128 G C 1.774 176.599 174.900 -0.125 0.000 1.171 128 G CA 1.097 46.136 45.100 -0.100 0.000 0.775 128 G HN 0.453 nan 8.290 nan 0.000 0.543 129 L N 0.048 121.251 121.223 -0.032 0.000 2.046 129 L HA -0.062 4.278 4.340 0.000 0.000 0.208 129 L C 2.892 179.721 176.870 -0.067 0.000 1.077 129 L CA 1.239 56.066 54.840 -0.021 0.000 0.747 129 L CB -0.451 41.629 42.059 0.034 0.000 0.896 129 L HN 0.304 nan 8.230 nan 0.000 0.432 130 E N -0.030 120.113 120.200 -0.095 0.000 2.110 130 E HA -0.202 4.148 4.350 0.000 0.000 0.193 130 E C 2.106 178.602 176.600 -0.173 0.000 0.988 130 E CA 0.850 57.184 56.400 -0.111 0.000 0.804 130 E CB 0.078 29.721 29.700 -0.095 0.000 0.745 130 E HN 0.299 nan 8.360 nan 0.000 0.458 131 K N 0.398 120.615 120.400 -0.305 0.000 2.283 131 K HA -0.074 4.246 4.320 0.000 0.000 0.202 131 K C 1.847 178.353 176.600 -0.157 0.000 1.048 131 K CA 0.652 56.761 56.287 -0.297 0.000 0.948 131 K CB 0.012 32.229 32.500 -0.472 0.000 0.742 131 K HN 0.243 nan 8.250 nan 0.000 0.458 132 L N -0.421 120.729 121.223 -0.121 0.000 2.591 132 L HA 0.060 4.400 4.340 0.000 0.000 0.228 132 L C 1.163 178.001 176.870 -0.053 0.000 1.133 132 L CA 0.452 55.251 54.840 -0.070 0.000 0.880 132 L CB 0.033 42.062 42.059 -0.050 0.000 1.033 132 L HN 0.378 nan 8.230 nan 0.000 0.450 133 G N -0.472 108.292 108.800 -0.060 0.000 2.201 133 G HA2 -0.212 3.748 3.960 0.000 0.000 0.212 133 G HA3 -0.212 3.748 3.960 0.000 0.000 0.212 133 G C 0.406 175.287 174.900 -0.032 0.000 0.994 133 G CA -0.147 44.928 45.100 -0.042 0.000 0.644 133 G HN 0.415 nan 8.290 nan 0.000 0.508 134 A N 0.201 123.004 122.820 -0.029 0.000 2.407 134 A HA 0.617 4.937 4.320 0.000 0.000 0.248 134 A C 0.326 177.904 177.584 -0.010 0.000 1.082 134 A CA 0.745 52.774 52.037 -0.013 0.000 0.785 134 A CB 0.490 19.490 19.000 -0.000 0.000 1.020 134 A HN 0.600 nan 8.150 nan 0.000 0.489 135 E N 1.519 121.718 120.200 -0.000 0.000 2.133 135 E HA 0.556 4.906 4.350 0.000 0.000 0.274 135 E C -1.325 175.286 176.600 0.017 0.000 0.930 135 E CA -0.297 56.106 56.400 0.005 0.000 0.770 135 E CB 0.651 30.353 29.700 0.004 0.000 1.104 135 E HN 0.572 nan 8.360 nan 0.000 0.403 136 I N 5.077 125.661 120.570 0.024 0.000 2.474 136 I HA 0.359 4.529 4.170 0.000 0.000 0.294 136 I C -0.372 175.767 176.117 0.038 0.000 1.005 136 I CA -0.722 60.600 61.300 0.036 0.000 1.113 136 I CB 1.642 39.669 38.000 0.044 0.000 1.289 136 I HN 0.465 nan 8.210 nan 0.000 0.436 137 K N 6.448 126.875 120.400 0.044 0.000 2.482 137 K HA 0.580 4.900 4.320 0.000 0.000 0.257 137 K C -1.780 174.853 176.600 0.055 0.000 0.969 137 K CA -0.876 55.437 56.287 0.044 0.000 0.842 137 K CB 2.889 35.412 32.500 0.038 0.000 1.359 137 K HN 0.435 nan 8.250 nan 0.000 0.441 138 L N 3.088 124.342 121.223 0.051 0.000 2.318 138 L HA 0.368 4.708 4.340 0.000 0.000 0.277 138 L C -1.140 175.767 176.870 0.063 0.000 1.008 138 L CA -0.024 54.852 54.840 0.059 0.000 0.846 138 L CB 0.816 42.899 42.059 0.041 0.000 1.220 138 L HN 1.007 nan 8.230 nan 0.000 0.423 139 E N 3.781 124.036 120.200 0.091 0.000 2.256 139 E HA 0.355 4.705 4.350 0.000 0.000 0.268 139 E C -0.437 176.245 176.600 0.138 0.000 0.877 139 E CA -0.603 55.848 56.400 0.086 0.000 0.757 139 E CB 1.336 31.075 29.700 0.064 0.000 1.183 139 E HN 0.600 nan 8.360 nan 0.000 0.418 140 E N 1.646 121.909 120.200 0.105 0.000 2.476 140 E HA -0.318 4.032 4.350 0.000 0.000 0.251 140 E C 0.699 177.402 176.600 0.171 0.000 1.130 140 E CA 0.632 57.108 56.400 0.127 0.000 0.736 140 E CB -2.480 27.305 29.700 0.140 0.000 1.298 140 E HN 1.386 nan 8.360 nan 0.000 0.400 141 G N -1.019 107.826 108.800 0.075 0.000 2.179 141 G HA2 -0.363 3.598 3.960 0.000 0.000 0.260 141 G HA3 -0.363 3.598 3.960 0.000 0.000 0.260 141 G C -0.176 174.629 174.900 -0.157 0.000 0.977 141 G CA 0.589 45.662 45.100 -0.045 0.000 0.641 141 G HN 0.426 nan 8.290 nan 0.000 0.533 142 Y N -0.619 119.703 120.300 0.037 0.000 2.352 142 Y HA 0.534 5.084 4.550 0.000 0.000 0.339 142 Y C 0.533 176.453 175.900 0.034 0.000 0.992 142 Y CA -0.607 57.519 58.100 0.044 0.000 1.100 142 Y CB 2.135 40.623 38.460 0.046 0.000 1.192 142 Y HN 0.419 nan 8.280 nan 0.000 0.458 143 V N 4.615 124.609 119.914 0.133 0.000 2.389 143 V HA 0.411 4.531 4.120 0.000 0.000 0.264 143 V C -0.734 175.435 176.094 0.125 0.000 1.049 143 V CA -0.592 61.766 62.300 0.097 0.000 0.932 143 V CB 0.088 31.941 31.823 0.050 0.000 1.011 143 V HN 0.721 nan 8.190 nan 0.000 0.475 144 K N 6.107 126.573 120.400 0.110 0.000 2.265 144 K HA 0.795 5.115 4.320 0.000 0.000 0.267 144 K C -0.298 176.341 176.600 0.067 0.000 0.994 144 K CA -0.221 56.122 56.287 0.094 0.000 0.860 144 K CB 1.983 34.531 32.500 0.080 0.000 1.099 144 K HN 0.905 nan 8.250 nan 0.000 0.448 145 A N 1.830 124.687 122.820 0.063 0.000 2.355 145 A HA 0.762 5.082 4.320 0.000 0.000 0.324 145 A C -0.644 176.957 177.584 0.028 0.000 1.117 145 A CA -0.609 51.455 52.037 0.046 0.000 0.785 145 A CB 1.281 20.314 19.000 0.055 0.000 1.254 145 A HN 0.716 nan 8.150 nan 0.000 0.453 146 S N -0.401 115.307 115.700 0.014 0.000 2.596 146 S HA 0.774 5.244 4.470 0.000 0.000 0.270 146 S C -1.381 173.215 174.600 -0.007 0.000 1.155 146 S CA -0.421 57.777 58.200 -0.003 0.000 0.827 146 S CB 1.308 64.504 63.200 -0.007 0.000 1.130 146 S HN 2.166 nan 8.310 nan 0.000 0.467 147 V N 1.297 121.201 119.914 -0.017 0.000 2.852 147 V HA 0.493 4.613 4.120 0.000 0.000 0.300 147 V C -1.772 174.308 176.094 -0.023 0.000 1.205 147 V CA -0.705 61.584 62.300 -0.018 0.000 0.940 147 V CB 2.098 33.910 31.823 -0.019 0.000 1.047 147 V HN 1.011 nan 8.190 nan 0.000 0.429 148 N N 4.376 123.064 118.700 -0.020 0.000 2.402 148 N HA 0.544 5.284 4.740 0.000 0.000 0.252 148 N C 0.505 176.001 175.510 -0.023 0.000 1.118 148 N CA 1.415 54.453 53.050 -0.020 0.000 0.945 148 N CB 1.294 39.772 38.487 -0.015 0.000 1.147 148 N HN 1.420 nan 8.380 nan 0.000 0.495 149 G N 2.541 111.325 108.800 -0.027 0.000 2.542 149 G HA2 -0.254 3.706 3.960 0.000 0.000 0.235 149 G HA3 -0.254 3.706 3.960 0.000 0.000 0.235 149 G C -0.330 174.548 174.900 -0.036 0.000 1.286 149 G CA -0.594 44.487 45.100 -0.031 0.000 0.904 149 G HN 0.589 nan 8.290 nan 0.000 0.577 150 R N -0.650 119.828 120.500 -0.037 0.000 2.543 150 R HA 0.601 4.941 4.340 0.000 0.000 0.268 150 R C 0.573 176.853 176.300 -0.033 0.000 1.067 150 R CA -0.662 55.414 56.100 -0.040 0.000 1.142 150 R CB 0.448 30.723 30.300 -0.042 0.000 1.110 150 R HN 0.459 nan 8.270 nan 0.000 0.549 151 L N 1.158 122.361 121.223 -0.033 0.000 2.453 151 L HA 0.289 4.629 4.340 0.000 0.000 0.261 151 L C 0.517 177.369 176.870 -0.030 0.000 1.179 151 L CA -0.072 54.750 54.840 -0.029 0.000 0.813 151 L CB 0.365 42.409 42.059 -0.026 0.000 1.110 151 L HN 0.378 nan 8.230 nan 0.000 0.466 152 K N 0.442 120.824 120.400 -0.030 0.000 2.221 152 K HA 0.440 4.760 4.320 0.000 0.000 0.258 152 K C -0.089 176.495 176.600 -0.028 0.000 0.944 152 K CA -0.629 55.641 56.287 -0.028 0.000 0.823 152 K CB 1.632 34.116 32.500 -0.026 0.000 1.113 152 K HN 0.704 nan 8.250 nan 0.000 0.431 153 G N 1.522 110.306 108.800 -0.026 0.000 2.484 153 G HA2 0.403 4.363 3.960 0.000 0.000 0.235 153 G HA3 0.403 4.363 3.960 0.000 0.000 0.235 153 G C -0.809 174.082 174.900 -0.016 0.000 1.282 153 G CA -0.079 45.008 45.100 -0.023 0.000 0.857 153 G HN 0.706 nan 8.290 nan 0.000 0.571 154 A N 1.080 123.897 122.820 -0.006 0.000 2.609 154 A HA 0.655 4.975 4.320 0.000 0.000 0.291 154 A C -0.982 176.648 177.584 0.078 0.000 1.096 154 A CA -0.716 51.332 52.037 0.018 0.000 0.684 154 A CB 1.073 20.064 19.000 -0.015 0.000 1.282 154 A HN 0.944 nan 8.150 nan 0.000 0.412 155 H N 0.983 120.042 119.070 -0.019 0.000 2.690 155 H HA 0.604 5.160 4.556 0.000 0.000 0.289 155 H C -1.016 174.318 175.328 0.009 0.000 1.089 155 H CA -0.466 55.581 56.048 -0.002 0.000 1.299 155 H CB 0.201 29.965 29.762 0.004 0.000 1.405 155 H HN 0.472 nan 8.280 nan 0.000 0.463 156 I N 6.263 126.933 120.570 0.167 0.000 2.362 156 I HA 0.173 4.343 4.170 0.000 0.000 0.289 156 I C -0.498 175.675 176.117 0.094 0.000 0.994 156 I CA -0.984 60.371 61.300 0.092 0.000 1.158 156 I CB 1.808 39.852 38.000 0.073 0.000 1.315 156 I HN 0.284 nan 8.210 nan 0.000 0.451 157 V N 6.645 126.606 119.914 0.078 0.000 2.370 157 V HA 0.341 4.461 4.120 0.000 0.000 0.279 157 V C 0.361 176.500 176.094 0.076 0.000 1.029 157 V CA -0.624 61.694 62.300 0.030 0.000 0.870 157 V CB 1.395 33.184 31.823 -0.055 0.000 0.984 157 V HN 0.599 nan 8.190 nan 0.000 0.451 158 M N 4.868 124.495 119.600 0.046 0.000 2.143 158 M HA 0.241 4.721 4.480 0.000 0.000 0.348 158 M C 0.545 176.805 176.300 -0.066 0.000 1.375 158 M CA -0.276 55.025 55.300 0.002 0.000 1.124 158 M CB 0.610 33.219 32.600 0.017 0.000 1.669 158 M HN 0.714 nan 8.290 nan 0.000 0.469 159 D N 1.978 122.291 120.400 -0.145 0.000 2.413 159 D HA 0.127 4.767 4.640 0.000 0.000 0.237 159 D C -0.007 176.228 176.300 -0.109 0.000 1.171 159 D CA 0.075 53.994 54.000 -0.136 0.000 0.839 159 D CB 0.324 41.010 40.800 -0.189 0.000 0.950 159 D HN 0.509 nan 8.370 nan 0.000 0.499 160 K N -0.162 120.187 120.400 -0.086 0.000 2.592 160 K HA 0.188 4.508 4.320 0.000 0.000 0.259 160 K C -1.688 174.881 176.600 -0.053 0.000 0.937 160 K CA -0.593 55.650 56.287 -0.073 0.000 0.874 160 K CB 2.111 34.562 32.500 -0.082 0.000 1.339 160 K HN -0.191 nan 8.250 nan 0.000 0.425 161 V N 2.941 122.827 119.914 -0.046 0.000 2.439 161 V HA 0.214 4.334 4.120 0.000 0.000 0.271 161 V C -0.035 176.041 176.094 -0.030 0.000 1.040 161 V CA 0.153 62.437 62.300 -0.028 0.000 1.002 161 V CB 0.925 32.736 31.823 -0.020 0.000 1.000 161 V HN 0.646 nan 8.190 nan 0.000 0.477 162 S N 4.293 119.985 115.700 -0.014 0.000 2.647 162 S HA 0.412 4.882 4.470 0.000 0.000 0.300 162 S C 0.562 175.183 174.600 0.035 0.000 1.129 162 S CA -0.657 57.544 58.200 0.001 0.000 1.029 162 S CB 1.883 65.076 63.200 -0.012 0.000 1.007 162 S HN 0.323 nan 8.310 nan 0.000 0.484 163 V N 5.473 125.435 119.914 0.081 0.000 2.270 163 V HA -0.009 4.111 4.120 0.000 0.000 0.245 163 V C 2.679 178.910 176.094 0.228 0.000 1.043 163 V CA 2.536 64.916 62.300 0.133 0.000 1.014 163 V CB -1.284 30.639 31.823 0.166 0.000 0.645 163 V HN 0.953 nan 8.190 nan 0.000 0.447 164 G N -0.318 108.668 108.800 0.309 0.000 2.459 164 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 164 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 164 G C 1.788 176.784 174.900 0.161 0.000 1.183 164 G CA 1.160 46.581 45.100 0.535 0.000 0.776 164 G HN 0.615 nan 8.290 nan 0.000 0.552 165 A N 0.069 122.657 122.820 -0.387 0.000 1.940 165 A HA -0.029 4.291 4.320 0.000 0.000 0.219 165 A C 2.522 180.002 177.584 -0.173 0.000 1.176 165 A CA 2.499 54.153 52.037 -0.639 0.000 0.631 165 A CB -0.960 17.816 19.000 -0.373 0.000 0.814 165 A HN 0.317 nan 8.150 nan 0.000 0.446 166 T N -0.435 114.090 114.554 -0.047 0.000 2.746 166 T HA -0.112 4.238 4.350 0.000 0.000 0.267 166 T C 1.869 176.565 174.700 -0.006 0.000 1.039 166 T CA 1.535 63.630 62.100 -0.007 0.000 1.142 166 T CB -0.377 68.498 68.868 0.011 0.000 0.866 166 T HN 0.169 nan 8.240 nan 0.000 0.444 167 V N 1.385 121.308 119.914 0.016 0.000 2.295 167 V HA -0.190 3.930 4.120 0.000 0.000 0.246 167 V C 2.798 178.865 176.094 -0.044 0.000 1.049 167 V CA 2.013 64.263 62.300 -0.082 0.000 1.024 167 V CB -1.125 30.524 31.823 -0.291 0.000 0.648 167 V HN 0.504 nan 8.190 nan 0.000 0.447 168 T N 0.434 115.050 114.554 0.103 0.000 2.652 168 T HA -0.188 4.162 4.350 0.000 0.000 0.267 168 T C 1.793 176.535 174.700 0.071 0.000 1.039 168 T CA 2.129 64.329 62.100 0.167 0.000 1.153 168 T CB -0.317 68.730 68.868 0.298 0.000 0.863 168 T HN 0.343 nan 8.240 nan 0.000 0.428 169 I N 0.687 121.276 120.570 0.031 0.000 2.179 169 I HA -0.175 3.995 4.170 0.000 0.000 0.242 169 I C 2.611 178.731 176.117 0.004 0.000 1.088 169 I CA 1.342 62.652 61.300 0.016 0.000 1.357 169 I CB -0.411 37.596 38.000 0.011 0.000 1.051 169 I HN 0.261 nan 8.210 nan 0.000 0.409 170 M N 0.354 119.950 119.600 -0.007 0.000 2.108 170 M HA -0.217 4.263 4.480 0.000 0.000 0.261 170 M C 2.405 178.690 176.300 -0.024 0.000 1.066 170 M CA 1.869 57.157 55.300 -0.019 0.000 1.107 170 M CB -0.013 32.569 32.600 -0.030 0.000 1.356 170 M HN 0.120 nan 8.290 nan 0.000 0.406 171 S N 0.706 116.392 115.700 -0.022 0.000 2.355 171 S HA -0.051 4.419 4.470 0.000 0.000 0.222 171 S C 2.025 176.627 174.600 0.003 0.000 1.031 171 S CA 1.310 59.503 58.200 -0.013 0.000 0.993 171 S CB -0.518 62.679 63.200 -0.005 0.000 0.859 171 S HN 0.696 nan 8.310 nan 0.000 0.453 172 A N 1.467 124.298 122.820 0.018 0.000 1.933 172 A HA 0.132 4.452 4.320 0.000 0.000 0.218 172 A C 2.295 179.875 177.584 -0.005 0.000 1.175 172 A CA 1.621 53.669 52.037 0.019 0.000 0.628 172 A CB -0.958 18.061 19.000 0.032 0.000 0.814 172 A HN 0.511 nan 8.150 nan 0.000 0.444 173 A N -0.077 122.736 122.820 -0.012 0.000 2.019 173 A HA -0.074 4.246 4.320 0.000 0.000 0.219 173 A C 2.345 179.910 177.584 -0.031 0.000 1.164 173 A CA 2.258 54.282 52.037 -0.021 0.000 0.644 173 A CB -1.372 17.616 19.000 -0.020 0.000 0.805 173 A HN 0.803 nan 8.150 nan 0.000 0.449 174 T N -1.841 112.692 114.554 -0.036 0.000 2.803 174 T HA -0.058 4.292 4.350 0.000 0.000 0.269 174 T C 1.310 175.979 174.700 -0.052 0.000 1.052 174 T CA 1.497 63.568 62.100 -0.049 0.000 1.136 174 T CB -0.374 68.457 68.868 -0.062 0.000 0.864 174 T HN 0.324 nan 8.240 nan 0.000 0.467 175 L N 0.651 121.845 121.223 -0.048 0.000 2.769 175 L HA 0.539 4.879 4.340 0.000 0.000 0.240 175 L C 1.278 178.119 176.870 -0.049 0.000 1.163 175 L CA -0.590 54.216 54.840 -0.055 0.000 0.962 175 L CB -0.314 41.705 42.059 -0.067 0.000 1.258 175 L HN 0.313 nan 8.230 nan 0.000 0.513 176 A N 0.237 123.033 122.820 -0.041 0.000 2.287 176 A HA 0.252 4.572 4.320 0.000 0.000 0.273 176 A C 0.084 177.646 177.584 -0.037 0.000 1.091 176 A CA -0.266 51.749 52.037 -0.036 0.000 0.817 176 A CB 0.445 19.426 19.000 -0.031 0.000 1.069 176 A HN 0.253 nan 8.150 nan 0.000 0.492 177 E N -0.010 120.169 120.200 -0.034 0.000 2.044 177 E HA 0.465 4.815 4.350 0.000 0.000 0.282 177 E C 0.493 177.075 176.600 -0.029 0.000 1.031 177 E CA 0.772 57.154 56.400 -0.031 0.000 0.824 177 E CB 0.197 29.879 29.700 -0.029 0.000 1.076 177 E HN 1.328 nan 8.360 nan 0.000 0.395 178 G N 2.705 111.487 108.800 -0.030 0.000 2.447 178 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 178 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 178 G C -0.563 174.318 174.900 -0.032 0.000 1.261 178 G CA -0.590 44.493 45.100 -0.029 0.000 1.000 178 G HN 0.462 nan 8.290 nan 0.000 0.515 179 T N 1.083 115.617 114.554 -0.034 0.000 2.824 179 T HA 0.707 5.057 4.350 0.000 0.000 0.280 179 T C -0.034 174.644 174.700 -0.037 0.000 0.995 179 T CA 0.217 62.294 62.100 -0.039 0.000 1.009 179 T CB 1.559 70.398 68.868 -0.048 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.477 118.011 114.554 -0.033 0.000 2.856 180 T HA 0.659 5.009 4.350 0.000 0.000 0.283 180 T C -0.411 174.276 174.700 -0.021 0.000 1.008 180 T CA -0.520 61.569 62.100 -0.019 0.000 0.997 180 T CB 0.705 69.566 68.868 -0.012 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.315 123.888 120.570 0.004 0.000 2.478 181 I HA 0.432 4.602 4.170 0.000 0.000 0.287 181 I C -0.712 175.482 176.117 0.129 0.000 1.042 181 I CA -0.759 60.550 61.300 0.014 0.000 1.067 181 I CB 1.792 39.707 38.000 -0.142 0.000 1.233 181 I HN 0.467 nan 8.210 nan 0.000 0.431 182 I N 5.896 126.518 120.570 0.088 0.000 2.307 182 I HA 0.256 4.426 4.170 0.000 0.000 0.289 182 I C 0.098 176.274 176.117 0.097 0.000 1.021 182 I CA -0.587 60.770 61.300 0.094 0.000 1.224 182 I CB 0.826 38.858 38.000 0.053 0.000 1.376 182 I HN 0.434 nan 8.210 nan 0.000 0.470 183 E N 4.984 125.252 120.200 0.115 0.000 2.301 183 E HA 0.107 4.457 4.350 0.000 0.000 0.275 183 E C 0.166 176.794 176.600 0.046 0.000 1.030 183 E CA -0.321 56.131 56.400 0.086 0.000 0.852 183 E CB 1.005 30.743 29.700 0.063 0.000 1.060 183 E HN 0.553 nan 8.360 nan 0.000 0.401 184 N N 0.611 119.331 118.700 0.034 0.000 2.758 184 N HA -0.223 4.517 4.740 0.000 0.000 0.248 184 N C -1.171 174.350 175.510 0.019 0.000 1.076 184 N CA 0.792 53.853 53.050 0.017 0.000 0.696 184 N CB -0.824 37.665 38.487 0.002 0.000 0.979 184 N HN 0.567 nan 8.380 nan 0.000 0.550 185 A N -0.053 122.783 122.820 0.027 0.000 2.332 185 A HA 0.725 5.045 4.320 0.000 0.000 0.258 185 A C 0.878 178.477 177.584 0.024 0.000 1.087 185 A CA 0.113 52.165 52.037 0.025 0.000 0.802 185 A CB 0.406 19.422 19.000 0.026 0.000 1.042 185 A HN 0.868 nan 8.150 nan 0.000 0.489 186 A N 0.615 123.450 122.820 0.024 0.000 2.425 186 A HA 0.488 4.808 4.320 0.000 0.000 0.249 186 A C 0.774 178.383 177.584 0.041 0.000 1.084 186 A CA -0.278 51.780 52.037 0.034 0.000 0.781 186 A CB 0.067 19.090 19.000 0.037 0.000 1.019 186 A HN 0.781 nan 8.150 nan 0.000 0.490 187 R N 0.422 120.963 120.500 0.068 0.000 2.334 187 R HA 0.148 4.488 4.340 0.000 0.000 0.216 187 R C -0.283 176.067 176.300 0.082 0.000 0.905 187 R CA -0.052 56.102 56.100 0.090 0.000 1.064 187 R CB -0.041 30.337 30.300 0.129 0.000 1.046 187 R HN 0.791 nan 8.270 nan 0.000 0.508 188 E N 1.162 121.378 120.200 0.027 0.000 2.760 188 E HA -0.109 4.241 4.350 0.000 0.000 0.268 188 E C -1.654 174.832 176.600 -0.189 0.000 0.935 188 E CA -0.549 55.761 56.400 -0.151 0.000 0.960 188 E CB 0.330 29.987 29.700 -0.072 0.000 0.931 188 E HN -0.034 nan 8.360 nan 0.000 0.483 189 P HA -0.188 nan 4.420 nan 0.000 0.217 189 P C 0.382 177.625 177.300 -0.096 0.000 1.148 189 P CA 1.244 64.228 63.100 -0.193 0.000 0.828 189 P CB 0.288 31.847 31.700 -0.234 0.000 0.783 190 E N -1.026 119.116 120.200 -0.096 0.000 2.153 190 E HA -0.130 4.220 4.350 0.000 0.000 0.194 190 E C 1.955 178.520 176.600 -0.059 0.000 0.988 190 E CA 0.813 57.179 56.400 -0.058 0.000 0.811 190 E CB -0.851 28.826 29.700 -0.039 0.000 0.746 190 E HN 0.198 nan 8.360 nan 0.000 0.466 191 I N 0.242 120.780 120.570 -0.053 0.000 2.179 191 I HA -0.205 3.965 4.170 0.000 0.000 0.242 191 I C 2.134 178.228 176.117 -0.039 0.000 1.088 191 I CA 0.942 62.214 61.300 -0.047 0.000 1.357 191 I CB -1.001 36.985 38.000 -0.022 0.000 1.051 191 I HN 0.021 nan 8.210 nan 0.000 0.409 192 V N 1.028 120.927 119.914 -0.024 0.000 2.287 192 V HA -0.302 3.818 4.120 0.000 0.000 0.248 192 V C 2.286 178.385 176.094 0.009 0.000 1.053 192 V CA 2.200 64.498 62.300 -0.003 0.000 1.027 192 V CB -0.711 31.117 31.823 0.008 0.000 0.646 192 V HN 0.312 nan 8.190 nan 0.000 0.447 193 D N -0.252 120.159 120.400 0.018 0.000 2.117 193 D HA -0.141 4.499 4.640 0.000 0.000 0.197 193 D C 2.278 178.546 176.300 -0.053 0.000 0.987 193 D CA 1.766 55.808 54.000 0.069 0.000 0.829 193 D CB -0.148 40.705 40.800 0.088 0.000 0.961 193 D HN 0.402 nan 8.370 nan 0.000 0.460 194 T N -0.307 114.199 114.554 -0.081 0.000 2.788 194 T HA -0.101 4.249 4.350 0.000 0.000 0.268 194 T C 1.909 176.565 174.700 -0.074 0.000 1.044 194 T CA 1.303 63.341 62.100 -0.102 0.000 1.139 194 T CB -0.397 68.386 68.868 -0.141 0.000 0.867 194 T HN 0.209 nan 8.240 nan 0.000 0.454 195 A N 2.668 125.446 122.820 -0.071 0.000 1.858 195 A HA -0.166 4.154 4.320 0.000 0.000 0.216 195 A C 2.240 179.768 177.584 -0.092 0.000 1.190 195 A CA 1.559 53.556 52.037 -0.067 0.000 0.617 195 A CB -0.677 18.298 19.000 -0.041 0.000 0.827 195 A HN 0.388 nan 8.150 nan 0.000 0.443 196 N N -0.969 117.684 118.700 -0.078 0.000 2.223 196 N HA -0.135 4.605 4.740 0.000 0.000 0.185 196 N C 1.354 176.713 175.510 -0.252 0.000 1.016 196 N CA 1.444 54.456 53.050 -0.063 0.000 0.863 196 N CB -0.597 37.961 38.487 0.120 0.000 0.983 196 N HN 0.572 nan 8.380 nan 0.000 0.429 197 F N 1.689 121.209 119.950 -0.716 0.000 2.113 197 F HA -0.002 4.525 4.527 0.000 0.000 0.297 197 F C 1.997 177.581 175.800 -0.360 0.000 1.103 197 F CA 0.943 58.417 58.000 -0.877 0.000 1.248 197 F CB -0.522 37.962 39.000 -0.859 0.000 0.999 197 F HN -0.098 nan 8.300 nan 0.000 0.475 198 L N -0.397 120.563 121.223 -0.439 0.000 2.042 198 L HA -0.235 4.105 4.340 0.000 0.000 0.210 198 L C 2.426 179.102 176.870 -0.324 0.000 1.076 198 L CA 1.175 55.764 54.840 -0.419 0.000 0.749 198 L CB -0.958 40.985 42.059 -0.194 0.000 0.893 198 L HN 0.029 nan 8.230 nan 0.000 0.432 199 V N 0.081 119.863 119.914 -0.219 0.000 2.407 199 V HA -0.298 3.822 4.120 0.000 0.000 0.248 199 V C 2.713 178.721 176.094 -0.145 0.000 1.055 199 V CA 1.755 63.971 62.300 -0.141 0.000 1.049 199 V CB -0.845 30.931 31.823 -0.079 0.000 0.662 199 V HN 0.500 nan 8.190 nan 0.000 0.455 200 A N -0.455 122.256 122.820 -0.182 0.000 1.969 200 A HA -0.081 4.239 4.320 0.000 0.000 0.218 200 A C 2.060 179.536 177.584 -0.180 0.000 1.169 200 A CA 1.366 53.330 52.037 -0.121 0.000 0.635 200 A CB -0.422 18.557 19.000 -0.034 0.000 0.810 200 A HN 0.540 nan 8.150 nan 0.000 0.445 201 L N -1.618 119.413 121.223 -0.319 0.000 2.599 201 L HA 0.183 4.523 4.340 0.000 0.000 0.230 201 L C 1.666 178.434 176.870 -0.170 0.000 1.141 201 L CA 0.614 55.289 54.840 -0.275 0.000 0.877 201 L CB -0.084 41.731 42.059 -0.406 0.000 1.009 201 L HN 0.595 nan 8.230 nan 0.000 0.447 202 G N -0.660 108.052 108.800 -0.145 0.000 2.211 202 G HA2 -0.189 3.771 3.960 0.000 0.000 0.201 202 G HA3 -0.189 3.771 3.960 0.000 0.000 0.201 202 G C 0.421 175.263 174.900 -0.096 0.000 0.997 202 G CA -0.166 44.874 45.100 -0.100 0.000 0.652 202 G HN 0.418 nan 8.290 nan 0.000 0.500 203 A N 0.134 122.881 122.820 -0.122 0.000 2.386 203 A HA 0.616 4.936 4.320 0.000 0.000 0.246 203 A C 0.460 177.997 177.584 -0.079 0.000 1.089 203 A CA 0.602 52.578 52.037 -0.101 0.000 0.790 203 A CB 0.287 19.215 19.000 -0.119 0.000 1.042 203 A HN 0.396 nan 8.150 nan 0.000 0.497 204 K N 1.024 121.386 120.400 -0.064 0.000 2.464 204 K HA 0.585 4.905 4.320 0.000 0.000 0.252 204 K C -1.413 175.159 176.600 -0.047 0.000 1.000 204 K CA 0.282 56.538 56.287 -0.050 0.000 0.951 204 K CB 1.037 33.511 32.500 -0.043 0.000 1.183 204 K HN 0.583 nan 8.250 nan 0.000 0.445 205 I N 1.314 121.858 120.570 -0.044 0.000 2.686 205 I HA 0.348 4.518 4.170 0.000 0.000 0.295 205 I C -0.406 175.694 176.117 -0.028 0.000 1.114 205 I CA -0.782 60.496 61.300 -0.038 0.000 1.038 205 I CB 2.375 40.349 38.000 -0.044 0.000 1.238 205 I HN 0.560 nan 8.210 nan 0.000 0.420 206 S N 2.007 117.693 115.700 -0.023 0.000 2.556 206 S HA 0.817 5.287 4.470 0.000 0.000 0.271 206 S C 0.139 174.732 174.600 -0.011 0.000 1.135 206 S CA 0.011 58.202 58.200 -0.015 0.000 0.858 206 S CB 2.023 65.213 63.200 -0.016 0.000 1.114 206 S HN 1.400 nan 8.310 nan 0.000 0.468 207 G N 0.814 109.611 108.800 -0.005 0.000 2.213 207 G HA2 -0.245 3.715 3.960 0.000 0.000 0.236 207 G HA3 -0.245 3.715 3.960 0.000 0.000 0.236 207 G C 0.149 175.052 174.900 0.005 0.000 0.991 207 G CA 0.090 45.191 45.100 0.001 0.000 0.629 207 G HN 1.348 nan 8.290 nan 0.000 0.517 208 Q N 0.569 120.370 119.800 0.002 0.000 2.283 208 Q HA 0.360 4.700 4.340 0.000 0.000 0.301 208 Q C 1.182 177.190 176.000 0.014 0.000 1.063 208 Q CA 1.271 57.076 55.803 0.004 0.000 0.952 208 Q CB 0.753 29.489 28.738 -0.004 0.000 1.166 208 Q HN 1.916 nan 8.270 nan 0.000 0.381 209 G N 2.197 111.010 108.800 0.022 0.000 2.213 209 G HA2 -0.284 3.676 3.960 0.000 0.000 0.226 209 G HA3 -0.284 3.676 3.960 0.000 0.000 0.226 209 G C 0.247 175.173 174.900 0.042 0.000 0.992 209 G CA 0.334 45.458 45.100 0.039 0.000 0.632 209 G HN 1.166 nan 8.290 nan 0.000 0.511 210 T N -1.712 112.859 114.554 0.029 0.000 2.919 210 T HA 0.567 4.917 4.350 0.000 0.000 0.282 210 T C 0.869 175.584 174.700 0.026 0.000 1.020 210 T CA 0.618 62.734 62.100 0.025 0.000 0.994 210 T CB 1.640 70.519 68.868 0.018 0.000 1.180 210 T HN 0.143 nan 8.240 nan 0.000 0.566 211 D N -1.002 119.412 120.400 0.023 0.000 2.349 211 D HA 0.060 4.700 4.640 0.000 0.000 0.224 211 D C 0.726 177.044 176.300 0.030 0.000 1.029 211 D CA 0.052 54.067 54.000 0.025 0.000 0.879 211 D CB -0.115 40.697 40.800 0.020 0.000 0.906 211 D HN 0.597 nan 8.370 nan 0.000 0.528 212 R N 0.809 121.327 120.500 0.028 0.000 2.435 212 R HA 0.469 4.809 4.340 0.000 0.000 0.308 212 R C -1.542 174.770 176.300 0.020 0.000 0.975 212 R CA -0.532 55.588 56.100 0.034 0.000 0.867 212 R CB 0.493 30.814 30.300 0.035 0.000 1.171 212 R HN -0.010 nan 8.270 nan 0.000 0.470 213 I N 3.735 124.317 120.570 0.021 0.000 2.354 213 I HA 0.325 4.495 4.170 0.000 0.000 0.292 213 I C -0.326 175.790 176.117 -0.001 0.000 0.989 213 I CA -0.801 60.503 61.300 0.007 0.000 1.188 213 I CB 2.351 40.354 38.000 0.005 0.000 1.342 213 I HN 0.612 nan 8.210 nan 0.000 0.457 214 T N 7.126 121.671 114.554 -0.014 0.000 2.770 214 T HA 0.631 4.981 4.350 0.000 0.000 0.283 214 T C -0.378 174.305 174.700 -0.028 0.000 0.988 214 T CA -0.310 61.773 62.100 -0.027 0.000 0.957 214 T CB 1.009 69.856 68.868 -0.036 0.000 0.930 214 T HN 0.171 nan 8.240 nan 0.000 0.443 215 I N 2.491 123.043 120.570 -0.030 0.000 2.465 215 I HA 0.366 4.536 4.170 0.000 0.000 0.291 215 I C 0.175 176.270 176.117 -0.036 0.000 1.014 215 I CA -0.580 60.700 61.300 -0.033 0.000 1.093 215 I CB 1.954 39.936 38.000 -0.031 0.000 1.267 215 I HN 0.541 nan 8.210 nan 0.000 0.431 216 E N 4.714 124.891 120.200 -0.038 0.000 2.102 216 E HA 0.507 4.857 4.350 0.000 0.000 0.263 216 E C 0.131 176.707 176.600 -0.040 0.000 0.894 216 E CA -0.630 55.747 56.400 -0.038 0.000 0.746 216 E CB 1.120 30.798 29.700 -0.037 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.346 111.123 108.800 -0.039 0.000 2.562 217 G HA2 0.251 4.211 3.960 0.000 0.000 0.233 217 G HA3 0.251 4.211 3.960 0.000 0.000 0.233 217 G C 0.082 174.956 174.900 -0.043 0.000 1.266 217 G CA 0.174 45.249 45.100 -0.042 0.000 0.852 217 G HN 0.442 nan 8.290 nan 0.000 0.581 218 V N -1.221 118.664 119.914 -0.048 0.000 3.141 218 V HA 0.557 4.677 4.120 0.000 0.000 0.312 218 V C 0.834 176.897 176.094 -0.052 0.000 1.157 218 V CA -0.764 61.507 62.300 -0.048 0.000 1.041 218 V CB 1.882 33.673 31.823 -0.052 0.000 1.071 218 V HN 0.777 nan 8.190 nan 0.000 0.441 219 E N 1.060 121.231 120.200 -0.049 0.000 2.072 219 E HA -0.034 4.316 4.350 0.000 0.000 0.191 219 E C 0.435 176.997 176.600 -0.064 0.000 0.985 219 E CA 1.746 58.114 56.400 -0.052 0.000 0.801 219 E CB 0.123 29.797 29.700 -0.044 0.000 0.750 219 E HN 0.767 nan 8.360 nan 0.000 0.452 220 R N -0.822 119.641 120.500 -0.062 0.000 2.716 220 R HA 0.541 4.881 4.340 0.000 0.000 0.271 220 R C -1.368 174.891 176.300 -0.069 0.000 1.028 220 R CA -0.753 55.305 56.100 -0.070 0.000 0.883 220 R CB 0.948 31.210 30.300 -0.063 0.000 1.250 220 R HN -0.152 nan 8.270 nan 0.000 0.465 221 L N 0.977 122.156 121.223 -0.074 0.000 2.334 221 L HA 0.605 4.945 4.340 0.000 0.000 0.276 221 L C 0.634 177.464 176.870 -0.066 0.000 1.014 221 L CA -0.665 54.124 54.840 -0.085 0.000 0.815 221 L CB 2.050 44.044 42.059 -0.107 0.000 1.268 221 L HN 1.002 nan 8.230 nan 0.000 0.428 222 G N 1.111 109.870 108.800 -0.069 0.000 3.311 222 G HA2 0.616 4.576 3.960 0.000 0.000 0.169 222 G HA3 0.616 4.576 3.960 0.000 0.000 0.169 222 G C 0.028 174.907 174.900 -0.035 0.000 1.852 222 G CA 0.403 45.478 45.100 -0.041 0.000 1.010 222 G HN 0.765 nan 8.290 nan 0.000 0.530 223 G N -3.133 105.653 108.800 -0.024 0.000 2.870 223 G HA2 0.709 4.669 3.960 0.000 0.000 0.299 223 G HA3 0.709 4.669 3.960 0.000 0.000 0.299 223 G C -0.384 174.520 174.900 0.007 0.000 1.324 223 G CA 0.161 45.264 45.100 0.005 0.000 0.808 223 G HN 1.826 nan 8.290 nan 0.000 0.535 224 G N -2.593 106.242 108.800 0.060 0.000 2.352 224 G HA2 0.509 4.469 3.960 0.000 0.000 0.283 224 G HA3 0.509 4.469 3.960 0.000 0.000 0.283 224 G C -2.018 172.958 174.900 0.127 0.000 1.308 224 G CA 0.194 45.340 45.100 0.076 0.000 0.892 224 G HN 1.431 nan 8.290 nan 0.000 0.504 225 V N 0.477 120.472 119.914 0.134 0.000 2.531 225 V HA 0.717 4.837 4.120 0.000 0.000 0.301 225 V C -1.299 174.916 176.094 0.201 0.000 1.034 225 V CA -0.570 61.807 62.300 0.129 0.000 0.865 225 V CB 1.527 33.391 31.823 0.069 0.000 0.995 225 V HN 0.929 nan 8.190 nan 0.000 0.424 226 Y N 4.258 124.598 120.300 0.066 0.000 2.421 226 Y HA 0.591 5.141 4.550 0.000 0.000 0.339 226 Y C -0.194 175.690 175.900 -0.027 0.000 0.996 226 Y CA -0.824 57.320 58.100 0.074 0.000 1.046 226 Y CB 1.680 40.295 38.460 0.258 0.000 1.226 226 Y HN 0.614 nan 8.280 nan 0.000 0.445 227 R N 5.474 125.632 120.500 -0.570 0.000 2.255 227 R HA 0.564 4.904 4.340 0.000 0.000 0.326 227 R C -1.331 174.749 176.300 -0.367 0.000 0.986 227 R CA -0.510 55.370 56.100 -0.366 0.000 0.847 227 R CB 0.790 30.916 30.300 -0.290 0.000 1.111 227 R HN 0.623 nan 8.270 nan 0.000 0.452 228 V N 6.367 126.206 119.914 -0.125 0.000 2.763 228 V HA -0.013 4.107 4.120 0.000 0.000 0.306 228 V C 1.039 177.101 176.094 -0.054 0.000 1.059 228 V CA -0.083 62.202 62.300 -0.025 0.000 1.138 228 V CB 0.568 32.370 31.823 -0.034 0.000 0.940 228 V HN 0.685 nan 8.190 nan 0.000 0.489 229 L N 4.554 125.771 121.223 -0.010 0.000 2.476 229 L HA 0.548 4.888 4.340 0.000 0.000 0.255 229 L C -2.400 174.457 176.870 -0.021 0.000 1.218 229 L CA -1.679 53.147 54.840 -0.023 0.000 0.819 229 L CB -0.059 41.998 42.059 -0.003 0.000 1.119 229 L HN 0.346 nan 8.230 nan 0.000 0.485 230 P HA -0.008 nan 4.420 nan 0.000 0.269 230 P C -1.139 176.158 177.300 -0.005 0.000 1.209 230 P CA 0.022 63.119 63.100 -0.004 0.000 0.776 230 P CB 0.344 32.047 31.700 0.006 0.000 0.876 231 D N 2.894 123.295 120.400 0.001 0.000 2.359 231 D HA -0.010 4.630 4.640 0.000 0.000 0.250 231 D C 1.331 177.633 176.300 0.003 0.000 1.264 231 D CA -0.077 53.916 54.000 -0.012 0.000 0.911 231 D CB 0.489 41.274 40.800 -0.026 0.000 1.056 231 D HN 0.342 nan 8.370 nan 0.000 0.499 232 R N 3.670 124.164 120.500 -0.010 0.000 2.152 232 R HA -0.122 4.218 4.340 0.000 0.000 0.232 232 R C 1.362 177.667 176.300 0.007 0.000 1.117 232 R CA 0.607 56.708 56.100 0.001 0.000 0.981 232 R CB -0.114 30.173 30.300 -0.021 0.000 0.870 232 R HN 0.341 nan 8.270 nan 0.000 0.451 233 I N 1.645 122.203 120.570 -0.020 0.000 2.406 233 I HA -0.107 4.063 4.170 0.000 0.000 0.249 233 I C 2.473 178.598 176.117 0.013 0.000 1.122 233 I CA 1.103 62.391 61.300 -0.019 0.000 1.431 233 I CB -1.124 36.840 38.000 -0.061 0.000 1.087 233 I HN 0.359 nan 8.210 nan 0.000 0.424 234 E N 1.008 121.206 120.200 -0.003 0.000 2.051 234 E HA -0.188 4.162 4.350 0.000 0.000 0.192 234 E C 2.034 178.775 176.600 0.235 0.000 0.991 234 E CA 1.956 58.419 56.400 0.105 0.000 0.799 234 E CB 0.187 29.966 29.700 0.131 0.000 0.748 234 E HN 0.377 nan 8.360 nan 0.000 0.449 235 T N -0.145 114.526 114.554 0.196 0.000 2.652 235 T HA -0.157 4.193 4.350 0.000 0.000 0.267 235 T C 1.755 176.569 174.700 0.191 0.000 1.039 235 T CA 1.349 63.578 62.100 0.216 0.000 1.153 235 T CB -0.719 68.227 68.868 0.131 0.000 0.863 235 T HN 0.406 nan 8.240 nan 0.000 0.428 236 G N 0.891 109.770 108.800 0.131 0.000 2.422 236 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 236 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 236 G C 1.712 176.683 174.900 0.119 0.000 1.146 236 G CA 1.432 46.613 45.100 0.135 0.000 0.769 236 G HN 0.461 nan 8.290 nan 0.000 0.547 237 T N 0.833 115.430 114.554 0.073 0.000 2.708 237 T HA -0.071 4.279 4.350 0.000 0.000 0.266 237 T C 2.035 176.651 174.700 -0.140 0.000 1.037 237 T CA 1.025 63.096 62.100 -0.049 0.000 1.146 237 T CB -0.334 68.490 68.868 -0.072 0.000 0.865 237 T HN 0.297 nan 8.240 nan 0.000 0.435 238 F N 0.711 120.716 119.950 0.092 0.000 2.259 238 F HA 0.140 4.667 4.527 0.000 0.000 0.298 238 F C 2.083 177.906 175.800 0.037 0.000 1.088 238 F CA 0.481 58.514 58.000 0.056 0.000 1.358 238 F CB -0.382 38.658 39.000 0.066 0.000 1.040 238 F HN 0.063 nan 8.300 nan 0.000 0.505 239 L N -0.847 120.498 121.223 0.204 0.000 2.093 239 L HA -0.189 4.151 4.340 0.000 0.000 0.208 239 L C 2.305 179.208 176.870 0.056 0.000 1.085 239 L CA 0.637 55.556 54.840 0.132 0.000 0.755 239 L CB -0.657 41.483 42.059 0.134 0.000 0.904 239 L HN -0.031 nan 8.230 nan 0.000 0.435 240 V N -0.039 119.879 119.914 0.007 0.000 2.515 240 V HA -0.250 3.870 4.120 0.000 0.000 0.250 240 V C 2.728 178.780 176.094 -0.070 0.000 1.058 240 V CA 1.565 63.801 62.300 -0.106 0.000 1.064 240 V CB -0.662 31.052 31.823 -0.182 0.000 0.675 240 V HN 0.467 nan 8.190 nan 0.000 0.461 241 A N 0.135 122.943 122.820 -0.020 0.000 1.883 241 A HA -0.199 4.121 4.320 0.000 0.000 0.217 241 A C 2.415 180.009 177.584 0.017 0.000 1.186 241 A CA 2.376 54.414 52.037 0.002 0.000 0.624 241 A CB -0.753 18.294 19.000 0.077 0.000 0.822 241 A HN 0.573 nan 8.150 nan 0.000 0.444 242 A N -0.382 122.461 122.820 0.038 0.000 1.872 242 A HA 0.250 4.571 4.320 0.000 0.000 0.214 242 A C 2.527 180.106 177.584 -0.008 0.000 1.187 242 A CA 1.907 53.956 52.037 0.020 0.000 0.614 242 A CB -1.122 17.897 19.000 0.031 0.000 0.826 242 A HN 1.145 nan 8.150 nan 0.000 0.442 243 A N 0.585 123.393 122.820 -0.020 0.000 1.986 243 A HA -0.138 4.182 4.320 0.000 0.000 0.220 243 A C 2.025 179.582 177.584 -0.045 0.000 1.171 243 A CA 1.678 53.693 52.037 -0.037 0.000 0.640 243 A CB -0.841 18.121 19.000 -0.063 0.000 0.811 243 A HN 1.037 nan 8.150 nan 0.000 0.451 244 I N -2.988 117.549 120.570 -0.054 0.000 3.728 244 I HA 0.114 4.284 4.170 0.000 0.000 0.307 244 I C 1.365 177.466 176.117 -0.026 0.000 1.276 244 I CA 1.113 62.384 61.300 -0.048 0.000 1.285 244 I CB 0.217 38.179 38.000 -0.064 0.000 1.038 244 I HN 0.236 nan 8.210 nan 0.000 0.445 245 S N -0.048 115.641 115.700 -0.018 0.000 2.602 245 S HA 0.447 4.917 4.470 0.000 0.000 0.240 245 S C 1.495 176.092 174.600 -0.005 0.000 0.992 245 S CA 0.142 58.337 58.200 -0.009 0.000 0.971 245 S CB 0.206 63.403 63.200 -0.005 0.000 0.855 245 S HN 0.720 nan 8.310 nan 0.000 0.481 246 G N 0.553 109.350 108.800 -0.006 0.000 2.180 246 G HA2 -0.190 3.770 3.960 0.000 0.000 0.263 246 G HA3 -0.190 3.770 3.960 0.000 0.000 0.263 246 G C 0.583 175.477 174.900 -0.010 0.000 0.989 246 G CA 0.167 45.266 45.100 -0.002 0.000 0.692 246 G HN 1.103 nan 8.290 nan 0.000 0.526 247 G N -0.890 107.901 108.800 -0.014 0.000 2.525 247 G HA2 0.600 4.560 3.960 0.000 0.000 0.287 247 G HA3 0.600 4.560 3.960 0.000 0.000 0.287 247 G C -0.145 174.731 174.900 -0.040 0.000 1.350 247 G CA 0.089 45.178 45.100 -0.018 0.000 1.039 247 G HN 0.632 nan 8.290 nan 0.000 0.513 248 K N -1.144 119.234 120.400 -0.036 0.000 2.422 248 K HA 0.681 5.001 4.320 0.000 0.000 0.251 248 K C -1.624 174.966 176.600 -0.017 0.000 0.933 248 K CA -0.764 55.494 56.287 -0.047 0.000 0.798 248 K CB 2.132 34.593 32.500 -0.064 0.000 1.238 248 K HN 0.441 nan 8.250 nan 0.000 0.428 249 I N 2.670 123.240 120.570 -0.000 0.000 2.918 249 I HA 0.420 4.590 4.170 0.000 0.000 0.301 249 I C -1.827 174.310 176.117 0.032 0.000 1.312 249 I CA -0.970 60.337 61.300 0.012 0.000 1.007 249 I CB 2.385 40.408 38.000 0.037 0.000 1.281 249 I HN 0.411 nan 8.210 nan 0.000 0.440 250 V N 5.182 125.105 119.914 0.016 0.000 2.483 250 V HA 0.363 4.483 4.120 0.000 0.000 0.297 250 V C -0.708 175.415 176.094 0.049 0.000 1.027 250 V CA -0.566 61.764 62.300 0.049 0.000 0.855 250 V CB 1.450 33.254 31.823 -0.033 0.000 0.995 250 V HN 0.777 nan 8.190 nan 0.000 0.424 251 C N 6.175 125.547 119.300 0.120 0.000 2.285 251 C HA 0.615 5.075 4.460 0.000 0.000 0.335 251 C C 0.552 175.624 174.990 0.136 0.000 1.267 251 C CA -1.025 58.048 59.018 0.093 0.000 1.762 251 C CB 0.021 27.834 27.740 0.122 0.000 2.365 251 C HN 0.740 nan 8.230 nan 0.000 0.527 252 R N 2.437 122.982 120.500 0.075 0.000 2.573 252 R HA 0.286 4.626 4.340 0.000 0.000 0.272 252 R C 0.261 176.607 176.300 0.077 0.000 1.009 252 R CA -0.395 55.762 56.100 0.095 0.000 1.059 252 R CB 0.293 30.614 30.300 0.035 0.000 1.112 252 R HN 0.781 nan 8.270 nan 0.000 0.517 253 N N -1.266 117.485 118.700 0.085 0.000 2.754 253 N HA -0.187 4.553 4.740 0.000 0.000 0.248 253 N C -1.143 174.396 175.510 0.049 0.000 1.093 253 N CA 1.162 54.244 53.050 0.052 0.000 0.699 253 N CB -0.929 37.575 38.487 0.028 0.000 1.016 253 N HN 0.749 nan 8.380 nan 0.000 0.552 254 A N -0.196 122.664 122.820 0.066 0.000 2.269 254 A HA 0.721 5.041 4.320 0.000 0.000 0.327 254 A C 0.161 177.751 177.584 0.010 0.000 1.112 254 A CA -0.406 51.659 52.037 0.047 0.000 0.865 254 A CB 1.183 20.224 19.000 0.068 0.000 1.227 254 A HN 0.212 nan 8.150 nan 0.000 0.498 255 Q N 0.693 120.492 119.800 -0.001 0.000 2.771 255 Q HA 0.307 4.647 4.340 0.000 0.000 0.247 255 Q C -2.255 173.731 176.000 -0.024 0.000 0.986 255 Q CA -1.799 53.991 55.803 -0.021 0.000 0.713 255 Q CB 1.240 29.970 28.738 -0.014 0.000 1.241 255 Q HN 0.442 nan 8.270 nan 0.000 0.488 256 P HA -0.245 nan 4.420 nan 0.000 0.218 256 P C 0.640 177.925 177.300 -0.025 0.000 1.154 256 P CA 1.789 64.856 63.100 -0.056 0.000 0.872 256 P CB 0.183 31.808 31.700 -0.125 0.000 0.790 257 D N -1.353 119.034 120.400 -0.022 0.000 2.351 257 D HA -0.125 4.515 4.640 0.000 0.000 0.216 257 D C 1.192 177.521 176.300 0.048 0.000 0.968 257 D CA 1.560 55.562 54.000 0.005 0.000 0.899 257 D CB -1.566 39.236 40.800 0.002 0.000 0.907 257 D HN 0.256 nan 8.370 nan 0.000 0.514 258 T N -2.661 111.920 114.554 0.044 0.000 3.107 258 T HA 0.213 4.563 4.350 0.000 0.000 0.249 258 T C 1.229 175.991 174.700 0.104 0.000 1.096 258 T CA -0.261 61.888 62.100 0.081 0.000 1.012 258 T CB -0.307 68.563 68.868 0.003 0.000 0.977 258 T HN 0.206 nan 8.240 nan 0.000 0.527 259 L N 0.508 121.767 121.223 0.060 0.000 3.267 259 L HA 0.360 4.700 4.340 0.000 0.000 0.289 259 L C 0.881 177.765 176.870 0.023 0.000 1.260 259 L CA -0.317 54.545 54.840 0.037 0.000 1.034 259 L CB 0.506 42.584 42.059 0.032 0.000 1.413 259 L HN -0.007 nan 8.230 nan 0.000 0.594 260 D N 1.644 122.054 120.400 0.017 0.000 2.126 260 D HA -0.249 4.391 4.640 0.000 0.000 0.190 260 D C 2.149 178.454 176.300 0.008 0.000 1.001 260 D CA 1.862 55.864 54.000 0.003 0.000 0.841 260 D CB 0.174 40.964 40.800 -0.016 0.000 0.949 260 D HN 0.403 nan 8.370 nan 0.000 0.446 261 A N 0.762 123.575 122.820 -0.012 0.000 1.883 261 A HA -0.166 4.154 4.320 0.000 0.000 0.217 261 A C 2.643 180.256 177.584 0.049 0.000 1.186 261 A CA 1.704 53.749 52.037 0.014 0.000 0.624 261 A CB -0.887 18.110 19.000 -0.004 0.000 0.822 261 A HN 0.163 nan 8.150 nan 0.000 0.444 262 V N 0.244 120.148 119.914 -0.015 0.000 2.295 262 V HA -0.266 3.854 4.120 0.000 0.000 0.246 262 V C 2.581 178.778 176.094 0.171 0.000 1.049 262 V CA 2.013 64.335 62.300 0.035 0.000 1.024 262 V CB -0.798 31.022 31.823 -0.005 0.000 0.648 262 V HN 0.572 nan 8.190 nan 0.000 0.447 263 L N 0.029 121.321 121.223 0.114 0.000 2.083 263 L HA -0.154 4.186 4.340 0.000 0.000 0.209 263 L C 2.723 179.663 176.870 0.117 0.000 1.083 263 L CA 1.501 56.411 54.840 0.117 0.000 0.752 263 L CB -0.863 41.237 42.059 0.068 0.000 0.899 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N -0.063 122.813 122.820 0.093 0.000 1.902 264 A HA -0.214 4.106 4.320 0.000 0.000 0.217 264 A C 2.299 179.950 177.584 0.111 0.000 1.181 264 A CA 1.655 53.741 52.037 0.082 0.000 0.623 264 A CB -0.305 18.728 19.000 0.055 0.000 0.818 264 A HN 0.151 nan 8.150 nan 0.000 0.443 265 K N -0.166 120.323 120.400 0.149 0.000 2.097 265 K HA 0.115 4.435 4.320 0.000 0.000 0.205 265 K C 1.748 178.529 176.600 0.301 0.000 1.050 265 K CA 0.910 57.313 56.287 0.194 0.000 0.938 265 K CB -0.476 32.109 32.500 0.141 0.000 0.718 265 K HN 0.505 nan 8.250 nan 0.000 0.442 266 L N 0.041 121.464 121.223 0.335 0.000 2.093 266 L HA -0.151 4.189 4.340 0.000 0.000 0.208 266 L C 2.315 179.279 176.870 0.156 0.000 1.085 266 L CA 1.195 56.193 54.840 0.263 0.000 0.755 266 L CB -0.263 41.933 42.059 0.227 0.000 0.904 266 L HN 0.153 nan 8.230 nan 0.000 0.435 267 R N 0.013 120.593 120.500 0.133 0.000 2.075 267 R HA -0.165 4.175 4.340 0.000 0.000 0.232 267 R C 2.090 178.444 176.300 0.090 0.000 1.126 267 R CA 1.234 57.393 56.100 0.098 0.000 0.963 267 R CB -0.251 30.098 30.300 0.082 0.000 0.858 267 R HN 0.431 nan 8.270 nan 0.000 0.435 268 E N 0.321 120.580 120.200 0.098 0.000 2.204 268 E HA -0.147 4.203 4.350 0.000 0.000 0.195 268 E C 1.654 178.304 176.600 0.083 0.000 0.990 268 E CA 1.043 57.492 56.400 0.081 0.000 0.821 268 E CB 0.029 29.776 29.700 0.078 0.000 0.750 268 E HN 0.340 nan 8.360 nan 0.000 0.477 269 A N -0.323 122.559 122.820 0.104 0.000 2.208 269 A HA 0.208 4.528 4.320 0.000 0.000 0.209 269 A C 1.658 179.281 177.584 0.063 0.000 1.161 269 A CA 0.961 53.048 52.037 0.084 0.000 0.782 269 A CB 0.033 19.087 19.000 0.090 0.000 0.816 269 A HN 0.347 nan 8.150 nan 0.000 0.477 270 G N -2.453 106.389 108.800 0.070 0.000 2.168 270 G HA2 0.188 4.148 3.960 0.000 0.000 0.197 270 G HA3 0.188 4.148 3.960 0.000 0.000 0.197 270 G C 0.337 175.283 174.900 0.077 0.000 0.997 270 G CA 0.066 45.207 45.100 0.069 0.000 0.658 270 G HN 1.428 nan 8.290 nan 0.000 0.513 271 A N 0.133 122.996 122.820 0.072 0.000 2.371 271 A HA 0.572 4.892 4.320 0.000 0.000 0.257 271 A C 0.109 177.740 177.584 0.078 0.000 1.089 271 A CA 0.596 52.671 52.037 0.062 0.000 0.794 271 A CB 0.584 19.617 19.000 0.057 0.000 1.029 271 A HN 0.549 nan 8.150 nan 0.000 0.488 272 D N 1.816 122.256 120.400 0.067 0.000 2.443 272 D HA 0.459 5.099 4.640 0.000 0.000 0.221 272 D C -0.620 175.725 176.300 0.075 0.000 1.097 272 D CA 0.036 54.098 54.000 0.103 0.000 0.865 272 D CB -0.024 40.890 40.800 0.190 0.000 1.034 272 D HN 0.348 nan 8.370 nan 0.000 0.511 273 I N 2.881 123.502 120.570 0.085 0.000 2.441 273 I HA 0.368 4.538 4.170 0.000 0.000 0.295 273 I C 0.233 176.406 176.117 0.093 0.000 0.994 273 I CA -0.762 60.590 61.300 0.087 0.000 1.144 273 I CB 1.712 39.758 38.000 0.077 0.000 1.314 273 I HN 0.252 nan 8.210 nan 0.000 0.445 274 E N 3.775 124.051 120.200 0.127 0.000 2.293 274 E HA 0.508 4.858 4.350 0.000 0.000 0.270 274 E C -1.053 175.552 176.600 0.007 0.000 0.879 274 E CA -0.763 55.717 56.400 0.133 0.000 0.756 274 E CB 2.705 32.575 29.700 0.283 0.000 1.208 274 E HN 0.666 nan 8.360 nan 0.000 0.428 275 T N -0.998 113.389 114.554 -0.279 0.000 2.916 275 T HA 0.812 5.162 4.350 0.000 0.000 0.292 275 T C 0.185 174.157 174.700 -1.213 0.000 1.055 275 T CA -0.745 60.924 62.100 -0.719 0.000 1.009 275 T CB 1.977 70.619 68.868 -0.378 0.000 1.118 275 T HN 0.494 nan 8.240 nan 0.000 0.497 276 G N 0.057 107.752 108.800 -1.842 0.000 3.251 276 G HA2 0.491 4.451 3.960 0.000 0.000 0.248 276 G HA3 0.491 4.451 3.960 0.000 0.000 0.248 276 G C 0.277 174.758 174.900 -0.700 0.000 1.320 276 G CA -0.499 43.756 45.100 -1.409 0.000 0.982 276 G HN 0.706 nan 8.290 nan 0.000 0.575 277 E N -0.342 119.661 120.200 -0.330 0.000 2.077 277 E HA -0.090 4.260 4.350 0.000 0.000 0.193 277 E C 0.917 177.437 176.600 -0.133 0.000 0.989 277 E CA 2.051 58.362 56.400 -0.148 0.000 0.800 277 E CB 0.152 29.840 29.700 -0.020 0.000 0.746 277 E HN 0.471 nan 8.360 nan 0.000 0.452 278 D N -1.176 119.170 120.400 -0.090 0.000 2.760 278 D HA 0.071 4.711 4.640 0.000 0.000 0.314 278 D C -0.513 175.857 176.300 0.117 0.000 1.464 278 D CA -0.575 53.431 54.000 0.009 0.000 0.797 278 D CB -0.880 39.965 40.800 0.074 0.000 1.149 278 D HN 0.307 nan 8.370 nan 0.000 0.455 279 W N -0.100 121.204 121.300 0.007 0.000 3.137 279 W HA 0.675 5.335 4.660 0.000 0.000 0.324 279 W C -2.107 174.421 176.519 0.016 0.000 1.253 279 W CA -1.288 56.062 57.345 0.008 0.000 1.183 279 W CB 0.483 29.944 29.460 0.002 0.000 1.424 279 W HN -0.286 nan 8.180 nan 0.000 0.566 280 I N 2.962 123.739 120.570 0.344 0.000 2.619 280 I HA 0.344 4.514 4.170 0.000 0.000 0.292 280 I C -0.211 176.138 176.117 0.386 0.000 1.100 280 I CA -0.737 60.696 61.300 0.222 0.000 1.043 280 I CB 2.584 40.641 38.000 0.095 0.000 1.239 280 I HN 0.458 nan 8.210 nan 0.000 0.420 281 S N 6.858 122.793 115.700 0.392 0.000 2.513 281 S HA 0.834 5.305 4.470 0.000 0.000 0.299 281 S C -1.073 173.622 174.600 0.159 0.000 1.087 281 S CA -0.726 57.636 58.200 0.271 0.000 1.012 281 S CB 2.251 65.624 63.200 0.289 0.000 1.044 281 S HN 0.646 nan 8.310 nan 0.000 0.485 282 L N 2.300 123.577 121.223 0.091 0.000 2.436 282 L HA 0.667 5.007 4.340 0.000 0.000 0.268 282 L C -1.907 174.948 176.870 -0.024 0.000 0.974 282 L CA -0.300 54.567 54.840 0.045 0.000 0.826 282 L CB 1.870 43.963 42.059 0.057 0.000 1.291 282 L HN 0.838 nan 8.230 nan 0.000 0.406 283 D N 4.930 125.269 120.400 -0.101 0.000 2.593 283 D HA 0.278 4.918 4.640 0.000 0.000 0.251 283 D C 0.268 176.364 176.300 -0.340 0.000 1.140 283 D CA -0.429 53.404 54.000 -0.277 0.000 0.855 283 D CB 1.902 42.422 40.800 -0.466 0.000 1.267 283 D HN 0.489 nan 8.370 nan 0.000 0.532 284 M N 1.610 121.079 119.600 -0.218 0.000 2.541 284 M HA 0.019 4.499 4.480 0.000 0.000 0.252 284 M C 0.136 176.422 176.300 -0.022 0.000 1.125 284 M CA 0.315 55.560 55.300 -0.092 0.000 1.091 284 M CB -0.670 31.913 32.600 -0.029 0.000 1.420 284 M HN 0.491 nan 8.290 nan 0.000 0.486 285 H N 0.031 119.114 119.070 0.022 0.000 2.770 285 H HA -0.153 4.403 4.556 0.000 0.000 0.309 285 H C 1.330 176.666 175.328 0.014 0.000 1.206 285 H CA 0.889 56.947 56.048 0.018 0.000 1.147 285 H CB -2.244 27.529 29.762 0.020 0.000 1.422 285 H HN 0.634 nan 8.280 nan 0.000 0.420 286 G N -0.504 108.340 108.800 0.073 0.000 2.186 286 G HA2 -0.365 3.595 3.960 0.000 0.000 0.266 286 G HA3 -0.365 3.595 3.960 0.000 0.000 0.266 286 G C 0.462 175.391 174.900 0.049 0.000 0.982 286 G CA 0.974 46.104 45.100 0.050 0.000 0.670 286 G HN 0.401 nan 8.290 nan 0.000 0.533 287 K N 0.248 120.685 120.400 0.063 0.000 2.218 287 K HA 0.346 4.666 4.320 0.000 0.000 0.276 287 K C 0.785 177.405 176.600 0.033 0.000 1.022 287 K CA -0.776 55.542 56.287 0.052 0.000 0.946 287 K CB 1.154 33.697 32.500 0.071 0.000 1.000 287 K HN 0.452 nan 8.250 nan 0.000 0.468 288 R N 3.436 123.952 120.500 0.026 0.000 2.543 288 R HA 0.126 4.466 4.340 0.000 0.000 0.277 288 R C -1.975 174.337 176.300 0.019 0.000 1.074 288 R CA -1.048 55.062 56.100 0.018 0.000 1.076 288 R CB 0.354 30.664 30.300 0.018 0.000 0.993 288 R HN 0.353 nan 8.270 nan 0.000 0.459 289 P HA 0.070 nan 4.420 nan 0.000 0.272 289 P C -1.266 176.046 177.300 0.020 0.000 1.223 289 P CA -0.092 63.014 63.100 0.011 0.000 0.784 289 P CB 0.757 32.450 31.700 -0.011 0.000 0.923 290 K N 1.121 121.538 120.400 0.030 0.000 2.172 290 K HA 0.476 4.796 4.320 0.000 0.000 0.276 290 K C 0.267 176.889 176.600 0.035 0.000 1.013 290 K CA -0.628 55.678 56.287 0.032 0.000 0.913 290 K CB 1.317 33.840 32.500 0.037 0.000 1.055 290 K HN 0.557 nan 8.250 nan 0.000 0.461 291 A N 2.265 125.103 122.820 0.029 0.000 2.531 291 A HA 0.270 4.590 4.320 0.000 0.000 0.236 291 A C 0.363 177.968 177.584 0.035 0.000 1.062 291 A CA -0.243 51.810 52.037 0.027 0.000 0.760 291 A CB -0.069 18.940 19.000 0.015 0.000 0.995 291 A HN 0.547 nan 8.150 nan 0.000 0.501 292 V N -0.321 119.620 119.914 0.044 0.000 3.074 292 V HA 0.873 4.993 4.120 0.000 0.000 0.314 292 V C -0.105 175.988 176.094 -0.001 0.000 1.117 292 V CA -0.607 61.718 62.300 0.041 0.000 1.014 292 V CB 1.768 33.649 31.823 0.098 0.000 1.057 292 V HN 0.772 nan 8.190 nan 0.000 0.438 293 T N 1.950 116.485 114.554 -0.032 0.000 2.779 293 T HA 0.737 5.087 4.350 0.000 0.000 0.280 293 T C -0.556 174.059 174.700 -0.142 0.000 0.987 293 T CA -0.270 61.788 62.100 -0.070 0.000 0.966 293 T CB 1.317 70.155 68.868 -0.049 0.000 0.933 293 T HN 0.750 nan 8.240 nan 0.000 0.442 294 V N 3.556 123.346 119.914 -0.208 0.000 2.823 294 V HA 0.678 4.799 4.120 0.000 0.000 0.312 294 V C -0.233 175.708 176.094 -0.254 0.000 1.072 294 V CA -1.035 61.032 62.300 -0.389 0.000 0.937 294 V CB 2.300 33.648 31.823 -0.791 0.000 1.013 294 V HN 0.750 nan 8.190 nan 0.000 0.430 295 R N 2.068 122.432 120.500 -0.227 0.000 2.539 295 R HA 0.417 4.757 4.340 0.000 0.000 0.295 295 R C -0.214 176.084 176.300 -0.003 0.000 1.138 295 R CA -0.279 55.773 56.100 -0.080 0.000 0.936 295 R CB 1.547 31.821 30.300 -0.043 0.000 1.182 295 R HN 0.967 nan 8.270 nan 0.000 0.459 296 T N 0.960 115.553 114.554 0.065 0.000 2.903 296 T HA 0.626 4.976 4.350 0.000 0.000 0.314 296 T C 0.235 174.989 174.700 0.089 0.000 1.078 296 T CA 0.018 62.226 62.100 0.180 0.000 1.114 296 T CB 1.523 70.510 68.868 0.197 0.000 0.987 296 T HN 0.687 nan 8.240 nan 0.000 0.548 297 A N 2.711 125.583 122.820 0.087 0.000 2.544 297 A HA 0.700 5.020 4.320 0.000 0.000 0.291 297 A C -3.162 174.441 177.584 0.031 0.000 1.055 297 A CA -1.660 50.395 52.037 0.031 0.000 0.651 297 A CB 0.114 19.126 19.000 0.020 0.000 1.296 297 A HN 0.658 nan 8.150 nan 0.000 0.431 298 P HA 0.251 nan 4.420 nan 0.000 0.268 298 P C -0.302 177.032 177.300 0.058 0.000 1.208 298 P CA 0.388 63.509 63.100 0.034 0.000 0.777 298 P CB 0.152 31.861 31.700 0.016 0.000 0.875 299 H N 4.124 123.189 119.070 -0.008 0.000 3.016 299 H HA 0.001 4.557 4.556 0.000 0.000 0.345 299 H C -1.177 174.147 175.328 -0.007 0.000 1.066 299 H CA -0.589 55.452 56.048 -0.012 0.000 1.390 299 H CB 0.219 29.975 29.762 -0.011 0.000 1.344 299 H HN 0.327 nan 8.280 nan 0.000 0.605 300 P HA 0.119 nan 4.420 nan 0.000 0.255 300 P C -0.348 176.724 177.300 -0.381 0.000 1.301 300 P CA 0.225 62.722 63.100 -1.005 0.000 0.817 300 P CB -0.084 31.196 31.700 -0.700 0.000 1.259 301 A N 0.511 123.231 122.820 -0.167 0.000 2.262 301 A HA 0.232 4.552 4.320 0.000 0.000 0.273 301 A C -0.200 177.391 177.584 0.012 0.000 1.202 301 A CA -0.532 51.480 52.037 -0.042 0.000 0.811 301 A CB -0.585 18.416 19.000 0.003 0.000 1.159 301 A HN 0.179 nan 8.150 nan 0.000 0.505 302 F N 1.795 121.700 119.950 -0.075 0.000 2.571 302 F HA 0.286 4.813 4.527 0.000 0.000 0.384 302 F C -1.653 174.124 175.800 -0.039 0.000 1.058 302 F CA -1.579 56.367 58.000 -0.090 0.000 1.200 302 F CB 0.592 39.503 39.000 -0.149 0.000 1.077 302 F HN 0.255 nan 8.300 nan 0.000 0.558 303 P HA -0.023 nan 4.420 nan 0.000 0.276 303 P C 0.309 177.579 177.300 -0.050 0.000 1.235 303 P CA -0.049 62.945 63.100 -0.175 0.000 0.772 303 P CB 1.528 33.104 31.700 -0.208 0.000 0.871 304 T N 2.120 116.746 114.554 0.119 0.000 2.929 304 T HA -0.130 4.220 4.350 0.000 0.000 0.271 304 T C 1.680 176.486 174.700 0.176 0.000 1.085 304 T CA 1.569 63.798 62.100 0.215 0.000 1.125 304 T CB -0.570 68.453 68.868 0.258 0.000 0.874 304 T HN 0.445 nan 8.240 nan 0.000 0.494 305 A N 0.473 123.350 122.820 0.096 0.000 2.216 305 A HA 0.195 4.515 4.320 0.000 0.000 0.214 305 A C 2.065 179.680 177.584 0.051 0.000 1.160 305 A CA 0.796 52.867 52.037 0.058 0.000 0.725 305 A CB -0.331 18.684 19.000 0.025 0.000 0.784 305 A HN 0.509 nan 8.150 nan 0.000 0.472 306 M N -1.501 118.127 119.600 0.048 0.000 2.331 306 M HA 0.063 4.543 4.480 0.000 0.000 0.266 306 M C 1.901 178.443 176.300 0.403 0.000 1.055 306 M CA 0.387 55.768 55.300 0.135 0.000 1.048 306 M CB -0.366 32.163 32.600 -0.118 0.000 1.460 306 M HN 0.600 nan 8.290 nan 0.000 0.519 307 Q N 1.267 121.328 119.800 0.436 0.000 2.062 307 Q HA -0.197 4.143 4.340 0.000 0.000 0.209 307 Q C 1.756 177.938 176.000 0.303 0.000 0.996 307 Q CA 2.548 58.629 55.803 0.463 0.000 0.859 307 Q CB -0.060 28.909 28.738 0.385 0.000 0.920 307 Q HN 0.471 nan 8.270 nan 0.000 0.415 308 A N 0.450 123.310 122.820 0.066 0.000 1.908 308 A HA -0.262 4.058 4.320 0.000 0.000 0.218 308 A C 2.007 179.540 177.584 -0.084 0.000 1.181 308 A CA 1.912 53.735 52.037 -0.356 0.000 0.627 308 A CB -0.600 18.002 19.000 -0.665 0.000 0.818 308 A HN 0.520 nan 8.150 nan 0.000 0.445 309 Q N -1.219 118.611 119.800 0.049 0.000 2.084 309 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 309 Q C 1.655 177.701 176.000 0.077 0.000 0.978 309 Q CA 1.723 57.559 55.803 0.055 0.000 0.844 309 Q CB -0.468 28.322 28.738 0.086 0.000 0.898 309 Q HN 0.690 nan 8.270 nan 0.000 0.426 310 F N 0.014 120.043 119.950 0.131 0.000 2.407 310 F HA -0.092 4.435 4.527 0.000 0.000 0.299 310 F C 2.115 177.956 175.800 0.068 0.000 1.097 310 F CA 1.075 59.149 58.000 0.123 0.000 1.422 310 F CB -0.250 38.857 39.000 0.179 0.000 1.067 310 F HN 0.022 nan 8.300 nan 0.000 0.539 311 T N 0.493 115.190 114.554 0.237 0.000 2.746 311 T HA -0.192 4.158 4.350 0.000 0.000 0.267 311 T C 2.022 176.778 174.700 0.094 0.000 1.039 311 T CA 1.301 63.507 62.100 0.176 0.000 1.142 311 T CB -0.517 68.558 68.868 0.345 0.000 0.866 311 T HN 0.140 nan 8.240 nan 0.000 0.444 312 L N 1.404 122.673 121.223 0.078 0.000 1.989 312 L HA 0.028 4.368 4.340 0.000 0.000 0.211 312 L C 2.240 179.097 176.870 -0.021 0.000 1.071 312 L CA 1.571 56.424 54.840 0.022 0.000 0.749 312 L CB -0.991 41.064 42.059 -0.007 0.000 0.890 312 L HN 0.272 nan 8.230 nan 0.000 0.431 313 L N -0.391 120.789 121.223 -0.070 0.000 2.013 313 L HA -0.293 4.047 4.340 0.000 0.000 0.212 313 L C 2.267 179.111 176.870 -0.044 0.000 1.073 313 L CA 1.945 56.719 54.840 -0.110 0.000 0.753 313 L CB -0.558 41.337 42.059 -0.275 0.000 0.890 313 L HN 0.416 nan 8.230 nan 0.000 0.432 314 N N -0.026 118.670 118.700 -0.007 0.000 2.166 314 N HA -0.152 4.588 4.740 0.000 0.000 0.186 314 N C 1.833 177.341 175.510 -0.004 0.000 1.019 314 N CA 1.367 54.419 53.050 0.003 0.000 0.856 314 N CB -0.377 38.113 38.487 0.005 0.000 0.993 314 N HN 0.379 nan 8.380 nan 0.000 0.426 315 L N 0.464 121.685 121.223 -0.004 0.000 2.353 315 L HA -0.058 4.282 4.340 0.000 0.000 0.220 315 L C 1.358 178.236 176.870 0.014 0.000 1.133 315 L CA 0.628 55.469 54.840 0.002 0.000 0.798 315 L CB -0.081 41.975 42.059 -0.005 0.000 0.922 315 L HN 0.092 nan 8.230 nan 0.000 0.445 316 V N -4.802 115.115 119.914 0.005 0.000 3.159 316 V HA 0.550 4.670 4.120 0.000 0.000 0.333 316 V C 0.609 176.708 176.094 0.009 0.000 1.424 316 V CA -0.263 62.041 62.300 0.008 0.000 1.125 316 V CB -0.189 31.631 31.823 -0.005 0.000 1.075 316 V HN 0.096 nan 8.190 nan 0.000 0.482 317 A N 0.584 123.411 122.820 0.011 0.000 2.256 317 A HA 0.789 5.109 4.320 0.000 0.000 0.318 317 A C -0.064 177.535 177.584 0.024 0.000 1.103 317 A CA -0.542 51.503 52.037 0.013 0.000 0.860 317 A CB 1.112 20.118 19.000 0.010 0.000 1.182 317 A HN 0.428 nan 8.150 nan 0.000 0.501 318 E N -0.056 120.158 120.200 0.024 0.000 1.996 318 E HA 0.479 4.829 4.350 0.000 0.000 0.280 318 E C 0.388 177.006 176.600 0.028 0.000 1.092 318 E CA 1.270 57.686 56.400 0.027 0.000 0.862 318 E CB -0.364 29.350 29.700 0.024 0.000 1.066 318 E HN 1.548 nan 8.360 nan 0.000 0.396 319 G N 2.572 111.393 108.800 0.036 0.000 2.373 319 G HA2 -0.099 3.861 3.960 0.000 0.000 0.634 319 G HA3 -0.099 3.861 3.960 0.000 0.000 0.634 319 G C -0.747 174.181 174.900 0.047 0.000 1.267 319 G CA -0.516 44.607 45.100 0.039 0.000 1.008 319 G HN 0.398 nan 8.290 nan 0.000 0.497 320 T N 1.185 115.764 114.554 0.041 0.000 2.753 320 T HA 0.629 4.979 4.350 0.000 0.000 0.297 320 T C 0.661 175.341 174.700 -0.032 0.000 0.981 320 T CA 0.537 62.645 62.100 0.014 0.000 0.956 320 T CB 1.061 69.965 68.868 0.059 0.000 0.936 320 T HN 1.362 nan 8.240 nan 0.000 0.463 321 G N 1.827 110.587 108.800 -0.067 0.000 2.371 321 G HA2 0.603 4.563 3.960 0.000 0.000 0.326 321 G HA3 0.603 4.563 3.960 0.000 0.000 0.326 321 G C -0.967 173.876 174.900 -0.095 0.000 1.127 321 G CA -0.473 44.593 45.100 -0.057 0.000 0.885 321 G HN 0.622 nan 8.290 nan 0.000 0.477 322 V N 2.853 122.722 119.914 -0.074 0.000 2.487 322 V HA 0.444 4.564 4.120 0.000 0.000 0.298 322 V C -0.273 175.777 176.094 -0.073 0.000 1.028 322 V CA -0.543 61.708 62.300 -0.083 0.000 0.860 322 V CB 1.476 33.262 31.823 -0.062 0.000 0.991 322 V HN 0.622 nan 8.190 nan 0.000 0.427 323 I N 3.535 124.064 120.570 -0.068 0.000 2.406 323 I HA 0.469 4.639 4.170 0.000 0.000 0.290 323 I C -0.110 176.052 176.117 0.075 0.000 0.999 323 I CA -0.188 61.095 61.300 -0.029 0.000 1.124 323 I CB 2.210 40.211 38.000 0.002 0.000 1.289 323 I HN 0.498 nan 8.210 nan 0.000 0.441 324 T N 4.373 118.969 114.554 0.070 0.000 2.770 324 T HA 0.266 4.616 4.350 0.000 0.000 0.283 324 T C -0.427 174.350 174.700 0.128 0.000 0.988 324 T CA -0.453 61.724 62.100 0.128 0.000 0.957 324 T CB 1.373 70.272 68.868 0.051 0.000 0.930 324 T HN 0.436 nan 8.240 nan 0.000 0.443 325 E N 2.021 122.315 120.200 0.156 0.000 2.109 325 E HA 0.370 4.720 4.350 0.000 0.000 0.278 325 E C 0.884 177.472 176.600 -0.019 0.000 0.954 325 E CA -0.549 55.877 56.400 0.043 0.000 0.779 325 E CB 0.750 30.374 29.700 -0.127 0.000 1.093 325 E HN 0.649 nan 8.360 nan 0.000 0.401 326 T N 2.075 116.620 114.554 -0.015 0.000 3.044 326 T HA 0.183 4.533 4.350 0.000 0.000 0.260 326 T C 1.126 175.761 174.700 -0.109 0.000 1.019 326 T CA -0.146 61.924 62.100 -0.050 0.000 0.921 326 T CB -0.002 68.846 68.868 -0.033 0.000 1.053 326 T HN 0.394 nan 8.240 nan 0.000 0.533 327 I N -0.084 120.399 120.570 -0.146 0.000 2.556 327 I HA 0.392 4.562 4.170 0.000 0.000 0.251 327 I C 0.114 175.873 176.117 -0.597 0.000 1.105 327 I CA 0.045 61.120 61.300 -0.375 0.000 1.436 327 I CB -0.628 37.124 38.000 -0.413 0.000 1.139 327 I HN 0.206 nan 8.210 nan 0.000 0.438 328 F N 2.238 122.149 119.950 -0.065 0.000 2.507 328 F HA 0.246 4.774 4.527 0.000 0.000 0.325 328 F C 1.497 177.216 175.800 -0.135 0.000 1.116 328 F CA -0.803 57.147 58.000 -0.084 0.000 0.930 328 F CB 1.231 40.187 39.000 -0.073 0.000 1.146 328 F HN 0.009 nan 8.300 nan 0.000 0.447 329 E N 1.291 121.528 120.200 0.061 0.000 2.516 329 E HA -0.169 4.181 4.350 0.000 0.000 0.199 329 E C -0.318 176.245 176.600 -0.061 0.000 1.069 329 E CA 0.789 57.173 56.400 -0.027 0.000 0.876 329 E CB -0.068 29.627 29.700 -0.008 0.000 0.843 329 E HN 0.762 nan 8.360 nan 0.000 0.530 330 N N 0.236 118.903 118.700 -0.056 0.000 2.605 330 N HA 0.076 4.816 4.740 0.000 0.000 0.265 330 N C -0.655 174.807 175.510 -0.079 0.000 1.625 330 N CA -0.171 52.835 53.050 -0.074 0.000 0.862 330 N CB 0.460 38.933 38.487 -0.024 0.000 1.415 330 N HN -0.047 nan 8.380 nan 0.000 0.513 331 R N 0.813 121.208 120.500 -0.176 0.000 2.935 331 R HA 0.278 4.618 4.340 0.000 0.000 0.354 331 R C -0.566 175.821 176.300 0.146 0.000 1.206 331 R CA -0.138 55.933 56.100 -0.049 0.000 1.082 331 R CB -0.139 30.154 30.300 -0.012 0.000 1.431 331 R HN 0.253 nan 8.270 nan 0.000 0.582 332 F N -0.311 119.691 119.950 0.086 0.000 2.775 332 F HA 0.160 4.687 4.527 0.000 0.000 0.313 332 F C 1.281 176.969 175.800 -0.188 0.000 1.121 332 F CA -0.502 57.448 58.000 -0.083 0.000 1.206 332 F CB 0.694 39.639 39.000 -0.091 0.000 1.052 332 F HN 0.091 nan 8.300 nan 0.000 0.524 333 M N 0.204 119.902 119.600 0.163 0.000 2.358 333 M HA -0.188 4.292 4.480 0.000 0.000 0.264 333 M C 2.374 178.703 176.300 0.048 0.000 1.064 333 M CA 1.327 56.673 55.300 0.075 0.000 1.093 333 M CB -0.546 32.088 32.600 0.056 0.000 1.401 333 M HN 0.317 nan 8.290 nan 0.000 0.440 334 H N -1.206 117.888 119.070 0.039 0.000 2.470 334 H HA 0.057 4.613 4.556 0.000 0.000 0.289 334 H C 2.060 177.389 175.328 0.002 0.000 1.033 334 H CA 0.963 57.016 56.048 0.008 0.000 1.331 334 H CB -1.230 28.539 29.762 0.013 0.000 1.414 334 H HN 0.211 nan 8.280 nan 0.000 0.545 335 V N 2.562 122.185 119.914 -0.485 0.000 2.252 335 V HA -0.203 3.917 4.120 0.000 0.000 0.249 335 V C -0.235 175.772 176.094 -0.144 0.000 1.056 335 V CA 2.504 64.611 62.300 -0.322 0.000 1.022 335 V CB -1.444 30.151 31.823 -0.381 0.000 0.641 335 V HN 0.406 nan 8.190 nan 0.000 0.445 336 P HA -0.123 nan 4.420 nan 0.000 0.218 336 P C 1.563 178.837 177.300 -0.043 0.000 1.148 336 P CA 1.179 64.245 63.100 -0.058 0.000 0.822 336 P CB -0.015 31.664 31.700 -0.035 0.000 0.784 337 E N -0.487 119.694 120.200 -0.031 0.000 2.072 337 E HA -0.065 4.285 4.350 0.000 0.000 0.190 337 E C 2.123 178.711 176.600 -0.020 0.000 0.982 337 E CA 0.925 57.316 56.400 -0.016 0.000 0.803 337 E CB -0.953 28.748 29.700 0.003 0.000 0.755 337 E HN 0.312 nan 8.360 nan 0.000 0.453 338 L N 0.588 121.798 121.223 -0.021 0.000 2.131 338 L HA -0.103 4.237 4.340 0.000 0.000 0.210 338 L C 2.480 179.316 176.870 -0.056 0.000 1.092 338 L CA 0.636 55.461 54.840 -0.025 0.000 0.759 338 L CB -0.335 41.718 42.059 -0.010 0.000 0.903 338 L HN 0.080 nan 8.230 nan 0.000 0.435 339 I N -0.507 120.021 120.570 -0.070 0.000 2.361 339 I HA -0.279 3.891 4.170 0.000 0.000 0.251 339 I C 2.625 178.690 176.117 -0.086 0.000 1.133 339 I CA 1.102 62.345 61.300 -0.096 0.000 1.413 339 I CB -0.254 37.697 38.000 -0.082 0.000 1.073 339 I HN 0.215 nan 8.210 nan 0.000 0.424 340 R N 0.246 120.712 120.500 -0.056 0.000 2.152 340 R HA -0.071 4.269 4.340 0.000 0.000 0.232 340 R C 1.861 178.135 176.300 -0.044 0.000 1.117 340 R CA 1.118 57.193 56.100 -0.042 0.000 0.981 340 R CB -0.120 30.165 30.300 -0.026 0.000 0.870 340 R HN 0.354 nan 8.270 nan 0.000 0.451 341 M N -0.723 118.849 119.600 -0.047 0.000 2.568 341 M HA 0.141 4.621 4.480 0.000 0.000 0.226 341 M C 0.652 176.915 176.300 -0.062 0.000 1.148 341 M CA 0.460 55.735 55.300 -0.042 0.000 1.007 341 M CB 1.174 33.757 32.600 -0.029 0.000 1.651 341 M HN 0.426 nan 8.290 nan 0.000 0.488 342 G N 0.270 109.010 108.800 -0.100 0.000 2.176 342 G HA2 -0.184 3.776 3.960 0.000 0.000 0.232 342 G HA3 -0.184 3.776 3.960 0.000 0.000 0.232 342 G C 0.207 174.952 174.900 -0.259 0.000 0.986 342 G CA -0.057 44.950 45.100 -0.155 0.000 0.643 342 G HN 0.653 nan 8.290 nan 0.000 0.522 343 A N 0.319 123.018 122.820 -0.201 0.000 2.346 343 A HA 0.637 4.957 4.320 0.000 0.000 0.252 343 A C 0.105 177.494 177.584 -0.325 0.000 1.089 343 A CA 0.009 51.938 52.037 -0.181 0.000 0.797 343 A CB 0.286 19.235 19.000 -0.085 0.000 1.047 343 A HN 0.511 nan 8.150 nan 0.000 0.494 344 H N -0.096 118.991 119.070 0.028 0.000 2.708 344 H HA 0.644 5.200 4.556 0.000 0.000 0.320 344 H C -0.251 175.128 175.328 0.085 0.000 0.991 344 H CA 0.497 56.587 56.048 0.071 0.000 1.243 344 H CB 1.364 31.192 29.762 0.110 0.000 1.446 344 H HN 0.952 nan 8.280 nan 0.000 0.502 345 A N 3.051 125.961 122.820 0.150 0.000 2.608 345 A HA 0.590 4.910 4.320 0.000 0.000 0.292 345 A C -1.265 176.326 177.584 0.011 0.000 1.066 345 A CA -0.843 51.206 52.037 0.020 0.000 0.676 345 A CB 1.895 20.830 19.000 -0.108 0.000 1.277 345 A HN 0.534 nan 8.150 nan 0.000 0.413 346 E N 0.153 120.328 120.200 -0.041 0.000 2.293 346 E HA 0.654 5.005 4.350 0.000 0.000 0.270 346 E C -1.235 175.310 176.600 -0.092 0.000 0.879 346 E CA -0.253 56.130 56.400 -0.028 0.000 0.756 346 E CB 2.200 31.919 29.700 0.032 0.000 1.208 346 E HN 0.524 nan 8.360 nan 0.000 0.428 347 I N 2.001 122.528 120.570 -0.071 0.000 2.339 347 I HA 0.315 4.485 4.170 0.000 0.000 0.290 347 I C -0.414 175.711 176.117 0.013 0.000 0.994 347 I CA -0.610 60.651 61.300 -0.064 0.000 1.191 347 I CB 1.381 39.372 38.000 -0.016 0.000 1.343 347 I HN 0.387 nan 8.210 nan 0.000 0.458 348 E N 5.238 125.458 120.200 0.033 0.000 2.267 348 E HA 0.404 4.754 4.350 0.000 0.000 0.248 348 E C 0.030 176.679 176.600 0.083 0.000 0.899 348 E CA 0.082 56.510 56.400 0.047 0.000 0.764 348 E CB 1.146 30.862 29.700 0.027 0.000 1.227 348 E HN 0.638 nan 8.360 nan 0.000 0.421 349 S N 3.951 119.703 115.700 0.085 0.000 4.114 349 S HA -0.312 4.158 4.470 0.000 0.000 0.618 349 S C 0.610 175.298 174.600 0.147 0.000 1.937 349 S CA 1.719 59.970 58.200 0.086 0.000 4.228 349 S CB -1.202 62.032 63.200 0.057 0.000 0.216 349 S HN 0.804 nan 8.310 nan 0.000 0.528 350 N N 2.267 121.044 118.700 0.128 0.000 2.320 350 N HA 0.233 4.973 4.740 0.000 0.000 0.237 350 N C -0.123 175.590 175.510 0.338 0.000 1.129 350 N CA 0.843 53.984 53.050 0.151 0.000 0.854 350 N CB 0.198 38.694 38.487 0.016 0.000 1.083 350 N HN 0.884 nan 8.380 nan 0.000 0.504 351 T N -1.988 112.792 114.554 0.378 0.000 2.916 351 T HA 0.509 4.859 4.350 0.000 0.000 0.305 351 T C -0.959 173.740 174.700 -0.002 0.000 1.119 351 T CA -0.661 61.592 62.100 0.254 0.000 1.008 351 T CB 1.684 70.612 68.868 0.099 0.000 1.129 351 T HN -0.028 nan 8.240 nan 0.000 0.480 352 V N 3.188 122.941 119.914 -0.269 0.000 2.398 352 V HA 0.594 4.714 4.120 0.000 0.000 0.286 352 V C -0.100 175.842 176.094 -0.255 0.000 1.026 352 V CA -1.141 60.904 62.300 -0.425 0.000 0.868 352 V CB 1.081 32.485 31.823 -0.698 0.000 0.982 352 V HN 0.811 nan 8.190 nan 0.000 0.443 353 I N 3.406 123.840 120.570 -0.227 0.000 2.312 353 I HA 0.337 4.507 4.170 0.000 0.000 0.291 353 I C 0.127 175.993 176.117 -0.419 0.000 1.031 353 I CA 0.002 61.145 61.300 -0.263 0.000 1.293 353 I CB 0.754 38.639 38.000 -0.192 0.000 1.403 353 I HN 0.653 nan 8.210 nan 0.000 0.484 354 C N 6.319 125.374 119.300 -0.408 0.000 2.341 354 C HA 0.433 4.893 4.460 0.000 0.000 0.338 354 C C 0.359 175.074 174.990 -0.458 0.000 1.257 354 C CA -0.550 58.252 59.018 -0.360 0.000 1.883 354 C CB 0.358 27.997 27.740 -0.169 0.000 2.334 354 C HN 0.609 nan 8.230 nan 0.000 0.524 355 H N 1.570 120.653 119.070 0.021 0.000 2.736 355 H HA 0.280 4.836 4.556 0.000 0.000 0.271 355 H C 0.629 175.989 175.328 0.053 0.000 1.184 355 H CA -0.056 56.008 56.048 0.026 0.000 1.378 355 H CB 0.799 30.572 29.762 0.018 0.000 1.428 355 H HN 0.946 nan 8.280 nan 0.000 0.500 356 G N 1.775 110.639 108.800 0.106 0.000 2.391 356 G HA2 0.246 4.206 3.960 0.000 0.000 0.234 356 G HA3 0.246 4.206 3.960 0.000 0.000 0.234 356 G C 0.481 175.441 174.900 0.100 0.000 1.284 356 G CA -0.019 45.129 45.100 0.080 0.000 0.873 356 G HN 0.429 nan 8.290 nan 0.000 0.549 357 V N 0.132 120.099 119.914 0.088 0.000 2.960 357 V HA 0.616 4.736 4.120 0.000 0.000 0.315 357 V C 1.096 177.220 176.094 0.051 0.000 1.087 357 V CA -0.511 61.843 62.300 0.090 0.000 0.982 357 V CB 1.885 33.781 31.823 0.122 0.000 1.039 357 V HN 0.793 nan 8.190 nan 0.000 0.437 358 E N 1.377 121.603 120.200 0.044 0.000 2.023 358 E HA -0.074 4.276 4.350 0.000 0.000 0.196 358 E C 0.390 177.003 176.600 0.021 0.000 1.003 358 E CA 1.698 58.115 56.400 0.028 0.000 0.809 358 E CB 0.200 29.915 29.700 0.025 0.000 0.755 358 E HN 0.677 nan 8.360 nan 0.000 0.449 359 K N -0.501 119.912 120.400 0.021 0.000 2.482 359 K HA 0.417 4.737 4.320 0.000 0.000 0.257 359 K C -0.908 175.695 176.600 0.005 0.000 0.969 359 K CA -0.669 55.624 56.287 0.011 0.000 0.842 359 K CB 1.671 34.176 32.500 0.009 0.000 1.359 359 K HN 0.080 nan 8.250 nan 0.000 0.441 360 L N 0.697 121.918 121.223 -0.003 0.000 2.334 360 L HA 0.483 4.823 4.340 0.000 0.000 0.272 360 L C -0.019 176.844 176.870 -0.011 0.000 1.020 360 L CA -0.777 54.055 54.840 -0.013 0.000 0.812 360 L CB 1.876 43.926 42.059 -0.015 0.000 1.264 360 L HN 0.448 nan 8.230 nan 0.000 0.439 361 S N 0.230 115.920 115.700 -0.016 0.000 2.451 361 S HA 0.476 4.946 4.470 0.000 0.000 0.301 361 S C 0.236 174.830 174.600 -0.011 0.000 1.116 361 S CA -0.696 57.497 58.200 -0.012 0.000 1.093 361 S CB 1.651 64.843 63.200 -0.013 0.000 1.017 361 S HN 0.775 nan 8.310 nan 0.000 0.482 362 G N 1.551 110.347 108.800 -0.006 0.000 2.484 362 G HA2 0.499 4.459 3.960 0.000 0.000 0.235 362 G HA3 0.499 4.459 3.960 0.000 0.000 0.235 362 G C -0.173 174.725 174.900 -0.003 0.000 1.282 362 G CA 0.191 45.289 45.100 -0.003 0.000 0.857 362 G HN 1.037 nan 8.290 nan 0.000 0.571 363 A N 1.583 124.403 122.820 -0.001 0.000 2.540 363 A HA 0.649 4.969 4.320 0.000 0.000 0.291 363 A C -0.709 176.877 177.584 0.005 0.000 1.083 363 A CA -0.774 51.263 52.037 -0.000 0.000 0.650 363 A CB 0.753 19.749 19.000 -0.007 0.000 1.292 363 A HN 0.647 nan 8.150 nan 0.000 0.435 364 Q N 0.583 120.386 119.800 0.005 0.000 2.314 364 Q HA 0.494 4.834 4.340 0.000 0.000 0.257 364 Q C -0.139 175.864 176.000 0.005 0.000 0.975 364 Q CA -0.486 55.323 55.803 0.009 0.000 0.933 364 Q CB 1.324 30.068 28.738 0.011 0.000 1.195 364 Q HN 0.912 nan 8.270 nan 0.000 0.426 365 V N -0.088 119.830 119.914 0.006 0.000 3.046 365 V HA 0.700 4.820 4.120 0.000 0.000 0.316 365 V C -0.652 175.441 176.094 -0.002 0.000 1.104 365 V CA -1.291 61.009 62.300 0.001 0.000 1.006 365 V CB 2.208 34.030 31.823 -0.001 0.000 1.058 365 V HN 0.823 nan 8.190 nan 0.000 0.440 366 M N 2.743 122.339 119.600 -0.006 0.000 2.190 366 M HA 0.790 5.270 4.480 0.000 0.000 0.312 366 M C -0.086 176.194 176.300 -0.035 0.000 0.990 366 M CA -0.618 54.675 55.300 -0.012 0.000 0.927 366 M CB 1.451 34.052 32.600 0.002 0.000 1.571 366 M HN 1.206 nan 8.290 nan 0.000 0.427 367 A N 2.892 125.676 122.820 -0.060 0.000 2.477 367 A HA 0.423 4.743 4.320 0.000 0.000 0.246 367 A C 0.843 178.314 177.584 -0.189 0.000 1.078 367 A CA 0.236 52.199 52.037 -0.123 0.000 0.770 367 A CB -0.033 18.884 19.000 -0.137 0.000 1.011 367 A HN 0.960 nan 8.150 nan 0.000 0.494 368 T N -1.540 112.827 114.554 -0.311 0.000 2.959 368 T HA 0.360 4.710 4.350 0.000 0.000 0.254 368 T C 0.022 174.291 174.700 -0.719 0.000 1.003 368 T CA 0.650 62.536 62.100 -0.357 0.000 0.950 368 T CB -0.401 68.382 68.868 -0.142 0.000 1.090 368 T HN 0.873 nan 8.240 nan 0.000 0.503 369 D N -0.800 119.131 120.400 -0.780 0.000 2.692 369 D HA 0.392 5.032 4.640 0.000 0.000 0.290 369 D C 0.698 176.775 176.300 -0.372 0.000 1.281 369 D CA -0.939 52.684 54.000 -0.629 0.000 0.804 369 D CB 0.692 41.319 40.800 -0.288 0.000 1.331 369 D HN -0.105 nan 8.370 nan 0.000 0.432 370 L N 0.530 121.668 121.223 -0.143 0.000 1.963 370 L HA -0.118 4.222 4.340 0.000 0.000 0.220 370 L C 1.988 178.872 176.870 0.022 0.000 1.076 370 L CA 1.923 56.763 54.840 0.001 0.000 0.772 370 L CB -0.683 41.399 42.059 0.037 0.000 0.892 370 L HN 0.487 nan 8.230 nan 0.000 0.435 371 R N 0.007 120.504 120.500 -0.005 0.000 2.115 371 R HA 0.034 4.374 4.340 0.000 0.000 0.230 371 R C 2.183 178.426 176.300 -0.093 0.000 1.111 371 R CA 1.217 57.321 56.100 0.006 0.000 0.976 371 R CB -1.524 28.770 30.300 -0.010 0.000 0.870 371 R HN 0.589 nan 8.270 nan 0.000 0.445 372 A N 1.384 124.121 122.820 -0.140 0.000 1.898 372 A HA -0.178 4.142 4.320 0.000 0.000 0.216 372 A C 2.378 179.891 177.584 -0.119 0.000 1.181 372 A CA 1.958 53.907 52.037 -0.148 0.000 0.620 372 A CB -0.627 18.323 19.000 -0.084 0.000 0.819 372 A HN 0.452 nan 8.150 nan 0.000 0.442 373 S N 0.493 116.108 115.700 -0.141 0.000 2.370 373 S HA -0.082 4.388 4.470 0.000 0.000 0.226 373 S C 2.114 176.628 174.600 -0.143 0.000 1.033 373 S CA 1.625 59.743 58.200 -0.137 0.000 1.011 373 S CB -0.819 62.296 63.200 -0.143 0.000 0.852 373 S HN 0.979 nan 8.310 nan 0.000 0.457 374 A N 1.516 124.224 122.820 -0.187 0.000 1.933 374 A HA 0.023 4.343 4.320 0.000 0.000 0.218 374 A C 2.475 179.940 177.584 -0.199 0.000 1.175 374 A CA 1.827 53.680 52.037 -0.307 0.000 0.628 374 A CB -1.198 17.493 19.000 -0.515 0.000 0.814 374 A HN 0.578 nan 8.150 nan 0.000 0.444 375 S N -0.093 115.523 115.700 -0.142 0.000 2.368 375 S HA -0.068 4.402 4.470 0.000 0.000 0.225 375 S C 1.791 176.354 174.600 -0.062 0.000 1.030 375 S CA 1.387 59.526 58.200 -0.101 0.000 0.999 375 S CB -0.416 62.720 63.200 -0.108 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.961 122.153 121.223 -0.050 0.000 2.141 376 L HA -0.048 4.292 4.340 0.000 0.000 0.209 376 L C 2.260 179.121 176.870 -0.015 0.000 1.094 376 L CA 0.704 55.531 54.840 -0.022 0.000 0.763 376 L CB -0.607 41.440 42.059 -0.019 0.000 0.908 376 L HN 0.206 nan 8.230 nan 0.000 0.437 377 V N 0.142 120.042 119.914 -0.022 0.000 2.358 377 V HA -0.254 3.866 4.120 0.000 0.000 0.246 377 V C 2.390 178.473 176.094 -0.019 0.000 1.047 377 V CA 1.432 63.744 62.300 0.020 0.000 1.035 377 V CB -0.254 31.608 31.823 0.064 0.000 0.658 377 V HN 0.343 nan 8.190 nan 0.000 0.452 378 L N 0.028 121.215 121.223 -0.060 0.000 2.083 378 L HA -0.157 4.183 4.340 0.000 0.000 0.209 378 L C 2.733 179.582 176.870 -0.036 0.000 1.083 378 L CA 1.466 56.270 54.840 -0.060 0.000 0.752 378 L CB -0.819 41.187 42.059 -0.088 0.000 0.899 378 L HN 0.375 nan 8.230 nan 0.000 0.433 379 A N 0.504 123.306 122.820 -0.030 0.000 1.877 379 A HA -0.148 4.172 4.320 0.000 0.000 0.216 379 A C 2.418 179.994 177.584 -0.012 0.000 1.186 379 A CA 1.788 53.813 52.037 -0.018 0.000 0.620 379 A CB -1.271 17.722 19.000 -0.011 0.000 0.822 379 A HN 0.437 nan 8.150 nan 0.000 0.443 380 G N -0.986 107.810 108.800 -0.006 0.000 2.442 380 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 380 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 380 G C 1.542 176.437 174.900 -0.008 0.000 1.141 380 G CA 1.306 46.406 45.100 -0.001 0.000 0.763 380 G HN 0.533 nan 8.290 nan 0.000 0.554 381 C N 0.690 119.982 119.300 -0.014 0.000 2.425 381 C HA 0.021 4.481 4.460 0.000 0.000 0.277 381 C C 2.623 177.606 174.990 -0.013 0.000 1.280 381 C CA 0.920 59.929 59.018 -0.016 0.000 1.744 381 C CB -0.891 26.839 27.740 -0.017 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.174 119.388 120.570 -0.013 0.000 3.956 382 I HA 0.388 4.558 4.170 0.000 0.000 0.333 382 I C 1.025 177.137 176.117 -0.008 0.000 1.302 382 I CA -0.129 61.165 61.300 -0.011 0.000 1.122 382 I CB -0.390 37.602 38.000 -0.013 0.000 1.013 382 I HN 0.068 nan 8.210 nan 0.000 0.405 383 A N 1.587 124.402 122.820 -0.009 0.000 2.313 383 A HA 0.315 4.635 4.320 0.000 0.000 0.261 383 A C -0.122 177.459 177.584 -0.005 0.000 1.090 383 A CA -0.177 51.855 52.037 -0.007 0.000 0.807 383 A CB 0.265 19.261 19.000 -0.008 0.000 1.055 383 A HN 0.405 nan 8.150 nan 0.000 0.492 384 E N -0.115 120.083 120.200 -0.004 0.000 2.052 384 E HA 0.480 4.830 4.350 0.000 0.000 0.283 384 E C 0.649 177.248 176.600 -0.003 0.000 1.071 384 E CA 1.448 57.846 56.400 -0.003 0.000 0.851 384 E CB 0.036 29.735 29.700 -0.001 0.000 1.066 384 E HN 1.405 nan 8.360 nan 0.000 0.396 385 G N 2.803 111.601 108.800 -0.003 0.000 2.418 385 G HA2 -0.166 3.794 3.960 0.000 0.000 0.206 385 G HA3 -0.166 3.794 3.960 0.000 0.000 0.206 385 G C -0.579 174.320 174.900 -0.002 0.000 1.202 385 G CA -0.421 44.678 45.100 -0.002 0.000 1.061 385 G HN 0.504 nan 8.290 nan 0.000 0.563 386 T N 1.416 115.970 114.554 0.001 0.000 2.767 386 T HA 0.679 5.029 4.350 0.000 0.000 0.284 386 T C -0.147 174.557 174.700 0.007 0.000 0.973 386 T CA 0.304 62.406 62.100 0.003 0.000 0.996 386 T CB 1.482 70.353 68.868 0.005 0.000 0.927 386 T HN 0.723 nan 8.240 nan 0.000 0.456 387 T N 2.635 117.196 114.554 0.011 0.000 2.829 387 T HA 0.566 4.917 4.350 0.000 0.000 0.280 387 T C -0.548 174.171 174.700 0.032 0.000 0.999 387 T CA -0.547 61.563 62.100 0.017 0.000 0.983 387 T CB 1.367 70.244 68.868 0.015 0.000 0.968 387 T HN 0.321 nan 8.240 nan 0.000 0.446 388 V N 3.571 123.505 119.914 0.034 0.000 2.376 388 V HA 0.356 4.476 4.120 0.000 0.000 0.287 388 V C -0.276 175.845 176.094 0.044 0.000 1.015 388 V CA -0.795 61.535 62.300 0.049 0.000 0.834 388 V CB 1.636 33.483 31.823 0.039 0.000 1.001 388 V HN 0.731 nan 8.190 nan 0.000 0.428 389 V N 3.952 123.905 119.914 0.065 0.000 2.334 389 V HA 0.278 4.398 4.120 0.000 0.000 0.267 389 V C 0.121 176.212 176.094 -0.005 0.000 1.040 389 V CA -0.356 61.960 62.300 0.027 0.000 0.866 389 V CB 1.255 33.097 31.823 0.032 0.000 1.019 389 V HN 0.898 nan 8.190 nan 0.000 0.468 390 D N 4.062 124.457 120.400 -0.009 0.000 2.339 390 D HA 0.317 4.957 4.640 0.000 0.000 0.245 390 D C 0.820 177.092 176.300 -0.047 0.000 1.115 390 D CA -0.113 53.881 54.000 -0.011 0.000 0.917 390 D CB 0.477 41.285 40.800 0.013 0.000 1.192 390 D HN 0.493 nan 8.370 nan 0.000 0.428 391 R N 1.761 122.239 120.500 -0.037 0.000 3.423 391 R HA -0.176 4.164 4.340 0.000 0.000 0.271 391 R C 0.835 176.936 176.300 -0.333 0.000 1.093 391 R CA 0.578 56.612 56.100 -0.110 0.000 0.730 391 R CB -2.305 27.941 30.300 -0.091 0.000 1.190 391 R HN 0.499 nan 8.270 nan 0.000 0.437 392 I N -2.112 118.283 120.570 -0.292 0.000 3.334 392 I HA -0.138 4.032 4.170 0.000 0.000 0.282 392 I C 2.039 177.943 176.117 -0.354 0.000 1.313 392 I CA 0.670 61.708 61.300 -0.436 0.000 1.396 392 I CB -0.952 36.518 38.000 -0.884 0.000 1.054 392 I HN 0.329 nan 8.210 nan 0.000 0.495 393 Y N 0.009 120.187 120.300 -0.203 0.000 2.256 393 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 393 Y C 2.382 178.196 175.900 -0.144 0.000 1.155 393 Y CA 1.436 59.427 58.100 -0.182 0.000 1.203 393 Y CB -1.688 36.650 38.460 -0.203 0.000 0.980 393 Y HN 0.212 nan 8.280 nan 0.000 0.530 394 H N 0.533 119.257 119.070 -0.576 0.000 2.353 394 H HA -0.192 4.364 4.556 0.000 0.000 0.298 394 H C 2.369 177.634 175.328 -0.105 0.000 1.103 394 H CA 2.065 57.919 56.048 -0.324 0.000 1.293 394 H CB -0.369 29.136 29.762 -0.428 0.000 1.372 394 H HN 0.504 nan 8.280 nan 0.000 0.501 395 I N 1.072 121.635 120.570 -0.012 0.000 2.493 395 I HA -0.206 3.965 4.170 0.000 0.000 0.254 395 I C 1.268 177.469 176.117 0.140 0.000 1.160 395 I CA 1.045 62.376 61.300 0.052 0.000 1.445 395 I CB 0.008 37.948 38.000 -0.100 0.000 1.086 395 I HN 0.087 nan 8.210 nan 0.000 0.433 396 D N 0.249 120.696 120.400 0.078 0.000 2.348 396 D HA -0.163 4.477 4.640 0.000 0.000 0.216 396 D C 2.032 178.397 176.300 0.109 0.000 0.970 396 D CA 0.458 54.521 54.000 0.105 0.000 0.889 396 D CB -0.206 40.642 40.800 0.079 0.000 0.912 396 D HN 0.389 nan 8.370 nan 0.000 0.524 397 R N 0.387 120.955 120.500 0.113 0.000 2.075 397 R HA -0.055 4.285 4.340 0.000 0.000 0.232 397 R C 1.617 177.954 176.300 0.061 0.000 1.126 397 R CA 1.508 57.662 56.100 0.090 0.000 0.963 397 R CB 0.018 30.380 30.300 0.103 0.000 0.858 397 R HN 0.162 nan 8.270 nan 0.000 0.435 398 G N -1.520 107.318 108.800 0.063 0.000 3.528 398 G HA2 0.133 4.093 3.960 0.000 0.000 0.266 398 G HA3 0.133 4.093 3.960 0.000 0.000 0.266 398 G C -0.811 173.943 174.900 -0.243 0.000 1.004 398 G CA -0.289 44.760 45.100 -0.085 0.000 0.853 398 G HN 0.115 nan 8.290 nan 0.000 0.501 399 Y N 0.688 121.016 120.300 0.046 0.000 2.326 399 Y HA 0.404 4.954 4.550 0.000 0.000 0.329 399 Y C -0.010 175.945 175.900 0.091 0.000 0.973 399 Y CA -1.264 56.878 58.100 0.069 0.000 1.162 399 Y CB 1.739 40.236 38.460 0.060 0.000 1.147 399 Y HN 0.072 nan 8.280 nan 0.000 0.456 400 E N 5.565 125.890 120.200 0.209 0.000 2.217 400 E HA 0.152 4.502 4.350 0.000 0.000 0.279 400 E C -0.048 176.669 176.600 0.194 0.000 1.068 400 E CA -0.496 56.002 56.400 0.163 0.000 0.882 400 E CB 0.366 30.131 29.700 0.108 0.000 1.039 400 E HN 0.714 nan 8.360 nan 0.000 0.418 401 R N 3.729 124.334 120.500 0.174 0.000 3.038 401 R HA -0.233 4.107 4.340 0.000 0.000 0.242 401 R C 0.335 176.754 176.300 0.197 0.000 0.866 401 R CA 0.699 56.897 56.100 0.163 0.000 0.601 401 R CB -2.379 27.988 30.300 0.111 0.000 1.107 401 R HN 0.797 nan 8.270 nan 0.000 0.492 402 I N 0.235 120.956 120.570 0.251 0.000 2.493 402 I HA -0.227 3.943 4.170 0.000 0.000 0.254 402 I C 2.473 178.695 176.117 0.175 0.000 1.160 402 I CA 1.749 63.210 61.300 0.267 0.000 1.445 402 I CB -0.031 38.070 38.000 0.169 0.000 1.086 402 I HN 0.625 nan 8.210 nan 0.000 0.433 403 E N 0.688 120.964 120.200 0.126 0.000 2.085 403 E HA -0.280 4.071 4.350 0.000 0.000 0.194 403 E C 1.532 178.112 176.600 -0.033 0.000 0.994 403 E CA 1.807 58.171 56.400 -0.061 0.000 0.801 403 E CB 0.068 29.710 29.700 -0.096 0.000 0.743 403 E HN 0.512 nan 8.360 nan 0.000 0.453 404 D N 0.267 120.683 120.400 0.025 0.000 2.103 404 D HA -0.099 4.541 4.640 0.000 0.000 0.199 404 D C 1.851 178.159 176.300 0.013 0.000 0.978 404 D CA 0.941 54.948 54.000 0.012 0.000 0.829 404 D CB -0.103 40.712 40.800 0.025 0.000 0.981 404 D HN 0.149 nan 8.370 nan 0.000 0.464 405 K N 0.357 120.786 120.400 0.048 0.000 2.057 405 K HA -0.050 4.270 4.320 0.000 0.000 0.207 405 K C 2.307 178.923 176.600 0.027 0.000 1.049 405 K CA 0.590 56.875 56.287 -0.003 0.000 0.931 405 K CB -0.125 32.377 32.500 0.003 0.000 0.714 405 K HN 0.143 nan 8.250 nan 0.000 0.440 406 L N 0.466 121.768 121.223 0.131 0.000 2.056 406 L HA -0.145 4.196 4.340 0.000 0.000 0.207 406 L C 2.758 179.641 176.870 0.023 0.000 1.078 406 L CA 1.019 55.932 54.840 0.121 0.000 0.749 406 L CB -0.321 41.789 42.059 0.085 0.000 0.901 406 L HN 0.191 nan 8.230 nan 0.000 0.433 407 R N 0.479 120.971 120.500 -0.014 0.000 2.083 407 R HA -0.180 4.160 4.340 0.000 0.000 0.237 407 R C 2.177 178.461 176.300 -0.026 0.000 1.137 407 R CA 1.514 57.594 56.100 -0.034 0.000 0.951 407 R CB -0.275 29.997 30.300 -0.047 0.000 0.851 407 R HN 0.327 nan 8.270 nan 0.000 0.434 408 A N 0.323 123.126 122.820 -0.028 0.000 2.225 408 A HA -0.057 4.263 4.320 0.000 0.000 0.215 408 A C 1.703 179.264 177.584 -0.038 0.000 1.164 408 A CA 0.906 52.920 52.037 -0.038 0.000 0.710 408 A CB -0.204 18.765 19.000 -0.052 0.000 0.780 408 A HN 0.376 nan 8.150 nan 0.000 0.473 409 L N -2.082 119.126 121.223 -0.025 0.000 2.693 409 L HA 0.315 4.655 4.340 0.000 0.000 0.235 409 L C 1.455 178.321 176.870 -0.007 0.000 1.127 409 L CA 0.539 55.369 54.840 -0.015 0.000 0.914 409 L CB 0.348 42.414 42.059 0.011 0.000 1.193 409 L HN 0.504 nan 8.230 nan 0.000 0.502 410 G N -0.020 108.772 108.800 -0.013 0.000 2.168 410 G HA2 -0.186 3.774 3.960 0.000 0.000 0.197 410 G HA3 -0.186 3.774 3.960 0.000 0.000 0.197 410 G C 0.324 175.214 174.900 -0.016 0.000 0.997 410 G CA -0.151 44.941 45.100 -0.014 0.000 0.658 410 G HN 0.392 nan 8.290 nan 0.000 0.513 411 A N 0.012 122.822 122.820 -0.018 0.000 2.371 411 A HA 0.620 4.940 4.320 0.000 0.000 0.257 411 A C 0.471 178.028 177.584 -0.045 0.000 1.089 411 A CA 0.100 52.120 52.037 -0.029 0.000 0.794 411 A CB 0.447 19.428 19.000 -0.031 0.000 1.029 411 A HN 0.484 nan 8.150 nan 0.000 0.488 412 N N 1.796 120.467 118.700 -0.048 0.000 2.817 412 N HA 0.366 5.106 4.740 0.000 0.000 0.234 412 N C -1.403 174.060 175.510 -0.078 0.000 1.066 412 N CA -0.037 52.981 53.050 -0.053 0.000 0.926 412 N CB 0.320 38.785 38.487 -0.036 0.000 1.176 412 N HN 0.660 nan 8.380 nan 0.000 0.506 413 I N 1.686 122.185 120.570 -0.119 0.000 2.647 413 I HA 0.416 4.586 4.170 0.000 0.000 0.295 413 I C -1.399 174.591 176.117 -0.212 0.000 1.078 413 I CA -0.705 60.476 61.300 -0.197 0.000 1.048 413 I CB 1.787 39.600 38.000 -0.311 0.000 1.239 413 I HN 0.404 nan 8.210 nan 0.000 0.421 414 E N 6.844 126.924 120.200 -0.200 0.000 2.304 414 E HA 0.376 4.726 4.350 0.000 0.000 0.277 414 E C -1.369 175.196 176.600 -0.060 0.000 0.898 414 E CA -1.025 55.299 56.400 -0.127 0.000 0.764 414 E CB 1.714 31.383 29.700 -0.051 0.000 1.216 414 E HN 0.573 nan 8.360 nan 0.000 0.419 415 R N 2.369 122.875 120.500 0.010 0.000 2.438 415 R HA 0.398 4.738 4.340 0.000 0.000 0.287 415 R C -0.129 176.262 176.300 0.152 0.000 1.077 415 R CA -0.307 55.940 56.100 0.244 0.000 1.034 415 R CB 0.989 31.493 30.300 0.340 0.000 0.993 415 R HN 0.559 nan 8.270 nan 0.000 0.459 416 V N 0.127 120.139 119.914 0.162 0.000 3.164 416 V HA 0.637 4.757 4.120 0.000 0.000 0.313 416 V C -1.172 174.971 176.094 0.081 0.000 1.188 416 V CA -1.222 61.136 62.300 0.096 0.000 1.058 416 V CB 2.104 33.974 31.823 0.078 0.000 1.110 416 V HN 0.584 nan 8.190 nan 0.000 0.453 417 K N 1.146 121.580 120.400 0.056 0.000 2.123 417 K HA 0.566 4.886 4.320 0.000 0.000 0.259 417 K C 0.448 177.071 176.600 0.038 0.000 0.960 417 K CA 0.154 56.468 56.287 0.044 0.000 0.872 417 K CB 1.367 33.888 32.500 0.034 0.000 1.079 417 K HN 1.277 nan 8.250 nan 0.000 0.440 418 G N 1.773 110.593 108.800 0.033 0.000 2.469 418 G HA2 0.031 3.991 3.960 0.000 0.000 0.229 418 G HA3 0.031 3.991 3.960 0.000 0.000 0.229 418 G C -0.426 174.489 174.900 0.025 0.000 1.222 418 G CA 0.497 45.615 45.100 0.029 0.000 0.861 418 G HN 0.565 nan 8.290 nan 0.000 0.538 419 E N 0.000 120.215 120.200 0.024 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.412 56.400 0.021 0.000 0.976 419 E CB 0.000 29.710 29.700 0.017 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440