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_Z 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 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.319 55.300 0.033 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 D N 3.717 124.143 120.400 0.043 0.000 2.443 2 D HA 0.372 5.012 4.640 0.000 0.000 0.234 2 D C -0.323 175.984 176.300 0.012 0.000 1.172 2 D CA 0.889 54.911 54.000 0.037 0.000 0.878 2 D CB 0.717 41.535 40.800 0.030 0.000 1.204 2 D HN 0.532 nan 8.370 nan 0.000 0.453 3 K N 0.425 120.850 120.400 0.041 0.000 2.495 3 K HA 0.479 4.799 4.320 0.000 0.000 0.268 3 K C -0.918 175.814 176.600 0.219 0.000 1.008 3 K CA -0.778 55.533 56.287 0.040 0.000 0.882 3 K CB 1.931 34.469 32.500 0.062 0.000 1.443 3 K HN 0.291 nan 8.250 nan 0.000 0.447 4 F N 1.248 121.200 119.950 0.003 0.000 2.467 4 F HA 0.409 4.936 4.527 0.000 0.000 0.336 4 F C 0.243 176.040 175.800 -0.004 0.000 1.123 4 F CA -1.019 56.980 58.000 -0.003 0.000 0.964 4 F CB 1.863 40.854 39.000 -0.015 0.000 1.136 4 F HN 0.167 nan 8.300 nan 0.000 0.447 5 R N 3.972 124.560 120.500 0.146 0.000 2.255 5 R HA 0.583 4.923 4.340 0.000 0.000 0.326 5 R C -1.603 174.703 176.300 0.010 0.000 0.986 5 R CA -0.406 55.733 56.100 0.065 0.000 0.847 5 R CB 1.514 31.838 30.300 0.039 0.000 1.111 5 R HN 0.456 nan 8.270 nan 0.000 0.452 6 V N 4.578 124.502 119.914 0.016 0.000 2.495 6 V HA 0.302 4.422 4.120 0.000 0.000 0.298 6 V C -0.500 175.589 176.094 -0.009 0.000 1.031 6 V CA -0.945 61.347 62.300 -0.014 0.000 0.871 6 V CB 1.913 33.735 31.823 -0.003 0.000 0.988 6 V HN 0.666 nan 8.190 nan 0.000 0.432 7 Q N 2.821 122.610 119.800 -0.019 0.000 2.325 7 Q HA 0.690 5.030 4.340 0.000 0.000 0.262 7 Q C 0.131 176.123 176.000 -0.013 0.000 0.968 7 Q CA -0.090 55.705 55.803 -0.013 0.000 0.877 7 Q CB 2.265 30.994 28.738 -0.015 0.000 1.253 7 Q HN 0.989 nan 8.270 nan 0.000 0.448 8 G N 2.567 111.362 108.800 -0.008 0.000 2.798 8 G HA2 0.732 4.692 3.960 0.000 0.000 0.286 8 G HA3 0.732 4.692 3.960 0.000 0.000 0.286 8 G C -2.824 172.074 174.900 -0.004 0.000 1.389 8 G CA -1.244 43.852 45.100 -0.007 0.000 0.894 8 G HN 0.319 nan 8.290 nan 0.000 0.488 9 P HA 0.369 nan 4.420 nan 0.000 0.282 9 P C -0.711 176.586 177.300 -0.005 0.000 1.249 9 P CA -0.085 63.012 63.100 -0.004 0.000 0.806 9 P CB 1.624 33.323 31.700 -0.001 0.000 0.984 10 T N -0.670 113.880 114.554 -0.006 0.000 2.971 10 T HA 0.404 4.754 4.350 0.000 0.000 0.304 10 T C -0.323 174.375 174.700 -0.003 0.000 1.038 10 T CA -1.031 61.066 62.100 -0.006 0.000 1.007 10 T CB 1.393 70.255 68.868 -0.009 0.000 1.055 10 T HN 0.411 nan 8.240 nan 0.000 0.451 11 R N 3.061 123.560 120.500 -0.002 0.000 2.442 11 R HA 0.464 4.804 4.340 0.000 0.000 0.291 11 R C -0.581 175.720 176.300 0.002 0.000 1.069 11 R CA -0.555 55.545 56.100 -0.000 0.000 1.022 11 R CB 0.216 30.515 30.300 -0.000 0.000 0.976 11 R HN 0.699 nan 8.270 nan 0.000 0.443 12 L N 6.163 127.391 121.223 0.008 0.000 2.264 12 L HA 0.320 4.660 4.340 0.000 0.000 0.289 12 L C -0.172 176.707 176.870 0.015 0.000 1.044 12 L CA -0.252 54.600 54.840 0.019 0.000 0.807 12 L CB 1.165 43.248 42.059 0.041 0.000 1.192 12 L HN 0.784 nan 8.230 nan 0.000 0.425 13 Q N 2.685 122.488 119.800 0.006 0.000 2.522 13 Q HA 0.814 5.154 4.340 0.000 0.000 0.285 13 Q C -0.395 175.595 176.000 -0.018 0.000 0.982 13 Q CA -0.526 55.274 55.803 -0.005 0.000 0.805 13 Q CB 2.694 31.426 28.738 -0.011 0.000 1.457 13 Q HN 0.657 nan 8.270 nan 0.000 0.394 14 G N 0.731 109.514 108.800 -0.027 0.000 2.253 14 G HA2 -0.004 3.956 3.960 0.000 0.000 0.190 14 G HA3 -0.004 3.956 3.960 0.000 0.000 0.190 14 G C -1.447 173.421 174.900 -0.054 0.000 1.274 14 G CA -0.281 44.794 45.100 -0.042 0.000 1.275 14 G HN 0.697 nan 8.290 nan 0.000 0.518 15 E N -1.505 118.649 120.200 -0.075 0.000 2.393 15 E HA 0.656 5.006 4.350 0.000 0.000 0.273 15 E C -1.502 175.008 176.600 -0.149 0.000 0.918 15 E CA -0.703 55.642 56.400 -0.092 0.000 0.773 15 E CB 3.204 32.856 29.700 -0.081 0.000 1.275 15 E HN 0.995 nan 8.360 nan 0.000 0.451 16 V N 0.753 120.561 119.914 -0.177 0.000 3.048 16 V HA 0.450 4.570 4.120 0.000 0.000 0.303 16 V C -1.563 174.427 176.094 -0.173 0.000 1.214 16 V CA -0.256 61.875 62.300 -0.282 0.000 0.984 16 V CB 2.509 33.939 31.823 -0.655 0.000 1.054 16 V HN 0.709 nan 8.190 nan 0.000 0.430 17 T N 7.304 121.774 114.554 -0.140 0.000 2.758 17 T HA 0.537 4.887 4.350 0.000 0.000 0.285 17 T C -0.195 174.486 174.700 -0.031 0.000 0.981 17 T CA -0.272 61.794 62.100 -0.058 0.000 0.965 17 T CB 0.674 69.521 68.868 -0.036 0.000 0.927 17 T HN 0.492 nan 8.240 nan 0.000 0.448 18 I N 3.205 123.782 120.570 0.012 0.000 2.648 18 I HA 0.138 4.308 4.170 0.000 0.000 0.284 18 I C 1.157 177.300 176.117 0.043 0.000 1.153 18 I CA 0.148 61.483 61.300 0.058 0.000 1.426 18 I CB 0.319 38.365 38.000 0.076 0.000 1.381 18 I HN 0.567 nan 8.210 nan 0.000 0.571 19 S N 3.956 119.690 115.700 0.057 0.000 2.681 19 S HA 0.517 4.987 4.470 0.000 0.000 0.270 19 S C 0.637 175.243 174.600 0.010 0.000 1.209 19 S CA -0.597 57.621 58.200 0.031 0.000 0.988 19 S CB 1.248 64.473 63.200 0.042 0.000 1.006 19 S HN 0.851 nan 8.310 nan 0.000 0.558 20 G N 0.197 108.992 108.800 -0.009 0.000 2.491 20 G HA2 0.428 4.388 3.960 0.000 0.000 0.238 20 G HA3 0.428 4.388 3.960 0.000 0.000 0.238 20 G C -0.031 174.854 174.900 -0.025 0.000 1.277 20 G CA -0.322 44.764 45.100 -0.023 0.000 0.851 20 G HN 0.899 nan 8.290 nan 0.000 0.573 21 A N 1.512 124.316 122.820 -0.027 0.000 2.491 21 A HA 0.255 4.575 4.320 0.000 0.000 0.261 21 A C 1.645 179.211 177.584 -0.030 0.000 1.101 21 A CA 0.329 52.347 52.037 -0.032 0.000 0.772 21 A CB 0.264 19.247 19.000 -0.028 0.000 1.043 21 A HN 0.929 nan 8.150 nan 0.000 0.501 22 K N 2.592 122.969 120.400 -0.038 0.000 2.032 22 K HA -0.184 4.136 4.320 0.000 0.000 0.209 22 K C 0.526 177.143 176.600 0.029 0.000 1.048 22 K CA 1.988 58.266 56.287 -0.016 0.000 0.927 22 K CB -0.132 32.341 32.500 -0.044 0.000 0.712 22 K HN 0.713 nan 8.250 nan 0.000 0.441 23 N N 0.074 118.794 118.700 0.033 0.000 2.501 23 N HA 0.011 4.751 4.740 0.000 0.000 0.195 23 N C 0.552 176.088 175.510 0.042 0.000 1.213 23 N CA 0.741 53.846 53.050 0.092 0.000 0.864 23 N CB 0.808 39.352 38.487 0.095 0.000 0.999 23 N HN 0.377 nan 8.380 nan 0.000 0.454 24 A N -0.158 122.657 122.820 -0.008 0.000 1.997 24 A HA 0.456 4.776 4.320 0.000 0.000 0.198 24 A C 2.109 179.638 177.584 -0.092 0.000 1.449 24 A CA 0.655 52.658 52.037 -0.056 0.000 0.908 24 A CB -0.366 18.614 19.000 -0.033 0.000 0.984 24 A HN 0.177 nan 8.150 nan 0.000 0.487 25 A N 0.442 123.225 122.820 -0.062 0.000 1.877 25 A HA -0.027 4.293 4.320 0.000 0.000 0.216 25 A C 2.114 179.655 177.584 -0.071 0.000 1.186 25 A CA 1.537 53.519 52.037 -0.091 0.000 0.620 25 A CB -0.719 18.243 19.000 -0.063 0.000 0.822 25 A HN 0.438 nan 8.150 nan 0.000 0.443 26 L N -0.046 121.203 121.223 0.042 0.000 1.989 26 L HA -0.123 4.217 4.340 0.000 0.000 0.211 26 L C -0.194 176.794 176.870 0.197 0.000 1.071 26 L CA 1.876 56.843 54.840 0.211 0.000 0.749 26 L CB -1.443 40.875 42.059 0.432 0.000 0.890 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 P HA -0.163 nan 4.420 nan 0.000 0.221 27 P C 1.803 178.932 177.300 -0.285 0.000 1.150 27 P CA 1.585 64.319 63.100 -0.610 0.000 0.800 27 P CB 0.055 31.122 31.700 -1.055 0.000 0.787 28 I N -0.694 119.707 120.570 -0.282 0.000 2.353 28 I HA -0.173 3.997 4.170 0.000 0.000 0.248 28 I C 2.623 178.505 176.117 -0.391 0.000 1.119 28 I CA 0.971 62.000 61.300 -0.453 0.000 1.417 28 I CB -0.511 37.069 38.000 -0.700 0.000 1.078 28 I HN -0.147 nan 8.210 nan 0.000 0.421 29 L N -0.373 120.694 121.223 -0.259 0.000 2.083 29 L HA -0.215 4.125 4.340 0.000 0.000 0.209 29 L C 2.414 179.181 176.870 -0.171 0.000 1.083 29 L CA 1.586 56.283 54.840 -0.238 0.000 0.752 29 L CB -0.481 41.414 42.059 -0.274 0.000 0.899 29 L HN 0.150 nan 8.230 nan 0.000 0.433 30 F N -0.475 119.466 119.950 -0.014 0.000 2.259 30 F HA -0.097 4.430 4.527 0.000 0.000 0.298 30 F C 2.550 178.390 175.800 0.066 0.000 1.088 30 F CA 0.869 58.906 58.000 0.062 0.000 1.358 30 F CB -0.430 38.648 39.000 0.130 0.000 1.040 30 F HN -0.007 nan 8.300 nan 0.000 0.505 31 A N 0.103 123.043 122.820 0.200 0.000 2.019 31 A HA -0.083 4.237 4.320 0.000 0.000 0.219 31 A C 2.347 180.101 177.584 0.284 0.000 1.164 31 A CA 1.423 53.589 52.037 0.215 0.000 0.644 31 A CB -1.134 18.015 19.000 0.248 0.000 0.805 31 A HN 0.294 nan 8.150 nan 0.000 0.449 32 A N -0.216 122.774 122.820 0.283 0.000 2.076 32 A HA -0.046 4.274 4.320 0.000 0.000 0.220 32 A C 1.963 179.661 177.584 0.190 0.000 1.160 32 A CA 1.283 53.485 52.037 0.274 0.000 0.653 32 A CB -0.602 18.500 19.000 0.170 0.000 0.801 32 A HN 0.503 nan 8.150 nan 0.000 0.455 33 L N -0.820 120.518 121.223 0.193 0.000 2.349 33 L HA -0.160 4.180 4.340 0.000 0.000 0.220 33 L C 2.073 179.083 176.870 0.233 0.000 1.130 33 L CA 0.679 55.657 54.840 0.230 0.000 0.791 33 L CB -0.332 41.895 42.059 0.280 0.000 0.918 33 L HN 0.430 nan 8.230 nan 0.000 0.444 34 L N -0.693 120.626 121.223 0.159 0.000 2.341 34 L HA 0.106 4.446 4.340 0.000 0.000 0.214 34 L C 1.397 178.286 176.870 0.033 0.000 1.115 34 L CA -0.332 54.553 54.840 0.074 0.000 0.820 34 L CB -0.337 41.741 42.059 0.031 0.000 0.944 34 L HN 0.113 nan 8.230 nan 0.000 0.452 35 A N 0.450 123.307 122.820 0.060 0.000 2.450 35 A HA 0.095 4.415 4.320 0.000 0.000 0.255 35 A C 0.985 178.602 177.584 0.056 0.000 1.096 35 A CA -0.133 51.925 52.037 0.034 0.000 0.778 35 A CB 0.228 19.262 19.000 0.058 0.000 1.031 35 A HN 0.316 nan 8.150 nan 0.000 0.494 36 E N 1.529 121.745 120.200 0.026 0.000 2.276 36 E HA -0.002 4.348 4.350 0.000 0.000 0.193 36 E C -0.047 176.581 176.600 0.047 0.000 0.983 36 E CA 0.406 56.829 56.400 0.039 0.000 0.861 36 E CB 0.370 30.075 29.700 0.009 0.000 0.817 36 E HN 0.833 nan 8.360 nan 0.000 0.485 37 E N 1.437 121.659 120.200 0.037 0.000 2.214 37 E HA 0.238 4.588 4.350 0.000 0.000 0.274 37 E C -2.583 174.056 176.600 0.065 0.000 0.977 37 E CA -2.462 53.965 56.400 0.044 0.000 0.827 37 E CB 1.485 31.202 29.700 0.029 0.000 1.130 37 E HN -0.149 nan 8.360 nan 0.000 0.394 38 P HA -0.084 nan 4.420 nan 0.000 0.265 38 P C -0.992 176.382 177.300 0.125 0.000 1.187 38 P CA 0.122 63.288 63.100 0.109 0.000 0.766 38 P CB 0.443 32.211 31.700 0.113 0.000 0.820 39 V N -0.324 119.679 119.914 0.148 0.000 3.074 39 V HA 0.664 4.784 4.120 0.000 0.000 0.314 39 V C -0.606 175.558 176.094 0.117 0.000 1.117 39 V CA -0.877 61.515 62.300 0.153 0.000 1.014 39 V CB 2.375 34.321 31.823 0.205 0.000 1.057 39 V HN 0.463 nan 8.190 nan 0.000 0.438 40 E N 1.728 121.956 120.200 0.046 0.000 2.244 40 E HA 0.553 4.903 4.350 0.000 0.000 0.260 40 E C -1.687 174.804 176.600 -0.182 0.000 0.884 40 E CA -0.700 55.572 56.400 -0.214 0.000 0.777 40 E CB 1.958 31.527 29.700 -0.217 0.000 1.197 40 E HN 0.807 nan 8.360 nan 0.000 0.416 41 I N 4.507 124.903 120.570 -0.289 0.000 2.328 41 I HA 0.188 4.358 4.170 0.000 0.000 0.287 41 I C 0.270 176.215 176.117 -0.286 0.000 1.012 41 I CA -0.493 60.677 61.300 -0.216 0.000 1.195 41 I CB 1.368 39.219 38.000 -0.249 0.000 1.350 41 I HN 0.377 nan 8.210 nan 0.000 0.464 42 Q N 3.996 123.669 119.800 -0.210 0.000 2.212 42 Q HA 0.277 4.617 4.340 0.000 0.000 0.238 42 Q C 0.391 176.300 176.000 -0.152 0.000 0.955 42 Q CA -0.706 54.972 55.803 -0.208 0.000 0.906 42 Q CB 0.702 29.342 28.738 -0.164 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.684 117.941 118.700 -0.126 0.000 2.735 43 N HA -0.168 4.572 4.740 0.000 0.000 0.248 43 N C -1.622 173.841 175.510 -0.079 0.000 1.083 43 N CA 0.257 53.255 53.050 -0.086 0.000 0.703 43 N CB -0.913 37.527 38.487 -0.078 0.000 1.005 43 N HN 0.330 nan 8.380 nan 0.000 0.550 44 V N 1.774 121.629 119.914 -0.098 0.000 2.432 44 V HA 0.345 4.465 4.120 0.000 0.000 0.271 44 V C -1.384 174.681 176.094 -0.049 0.000 1.046 44 V CA -1.034 61.215 62.300 -0.084 0.000 0.945 44 V CB 1.028 32.783 31.823 -0.114 0.000 0.992 44 V HN 0.212 nan 8.190 nan 0.000 0.471 45 P HA 0.142 nan 4.420 nan 0.000 0.272 45 P C -0.739 176.562 177.300 0.002 0.000 1.223 45 P CA -0.428 62.668 63.100 -0.007 0.000 0.784 45 P CB 0.852 32.549 31.700 -0.005 0.000 0.923 46 K N 2.771 123.183 120.400 0.021 0.000 2.206 46 K HA 0.382 4.702 4.320 0.000 0.000 0.268 46 K C -0.175 176.449 176.600 0.040 0.000 1.111 46 K CA -0.184 56.120 56.287 0.029 0.000 0.955 46 K CB -0.114 32.409 32.500 0.038 0.000 1.406 46 K HN 0.426 nan 8.250 nan 0.000 0.427 47 L N 1.222 122.464 121.223 0.032 0.000 2.333 47 L HA 0.356 4.696 4.340 0.000 0.000 0.263 47 L C 1.372 178.265 176.870 0.037 0.000 1.014 47 L CA -1.081 53.783 54.840 0.041 0.000 0.820 47 L CB 1.359 43.437 42.059 0.030 0.000 1.352 47 L HN 0.285 nan 8.230 nan 0.000 0.421 48 K N 0.729 121.156 120.400 0.045 0.000 2.103 48 K HA -0.174 4.146 4.320 0.000 0.000 0.207 48 K C 1.057 177.676 176.600 0.031 0.000 1.048 48 K CA 1.734 58.043 56.287 0.036 0.000 0.930 48 K CB 0.089 32.615 32.500 0.044 0.000 0.716 48 K HN 0.620 nan 8.250 nan 0.000 0.444 49 D N 0.554 120.978 120.400 0.040 0.000 2.178 49 D HA -0.122 4.518 4.640 0.000 0.000 0.202 49 D C 1.840 178.166 176.300 0.044 0.000 0.974 49 D CA 0.556 54.585 54.000 0.049 0.000 0.841 49 D CB 0.055 40.893 40.800 0.064 0.000 0.953 49 D HN 0.163 nan 8.370 nan 0.000 0.478 50 I N 1.344 121.930 120.570 0.025 0.000 2.439 50 I HA -0.162 4.008 4.170 0.000 0.000 0.251 50 I C 1.666 177.776 176.117 -0.011 0.000 1.139 50 I CA 1.014 62.314 61.300 -0.000 0.000 1.438 50 I CB -0.720 37.275 38.000 -0.008 0.000 1.085 50 I HN -0.060 nan 8.210 nan 0.000 0.427 51 D N 0.694 121.095 120.400 0.003 0.000 2.097 51 D HA -0.126 4.514 4.640 0.000 0.000 0.197 51 D C 2.138 178.435 176.300 -0.005 0.000 0.984 51 D CA 1.596 55.596 54.000 -0.000 0.000 0.826 51 D CB -0.300 40.504 40.800 0.007 0.000 0.973 51 D HN 0.235 nan 8.370 nan 0.000 0.460 52 T N 0.529 115.085 114.554 0.004 0.000 2.720 52 T HA -0.115 4.235 4.350 0.000 0.000 0.268 52 T C 2.022 176.727 174.700 0.009 0.000 1.037 52 T CA 1.638 63.744 62.100 0.010 0.000 1.144 52 T CB -0.460 68.421 68.868 0.022 0.000 0.864 52 T HN 0.148 nan 8.240 nan 0.000 0.444 53 T N 2.114 116.664 114.554 -0.006 0.000 2.708 53 T HA 0.002 4.352 4.350 0.000 0.000 0.266 53 T C 2.058 176.665 174.700 -0.155 0.000 1.037 53 T CA 1.135 63.171 62.100 -0.107 0.000 1.146 53 T CB -0.349 68.403 68.868 -0.193 0.000 0.865 53 T HN 0.323 nan 8.240 nan 0.000 0.435 54 M N 0.554 120.094 119.600 -0.100 0.000 2.159 54 M HA -0.086 4.394 4.480 0.000 0.000 0.263 54 M C 2.336 178.607 176.300 -0.048 0.000 1.063 54 M CA 1.566 56.820 55.300 -0.076 0.000 1.110 54 M CB -0.328 32.248 32.600 -0.039 0.000 1.374 54 M HN 0.137 nan 8.290 nan 0.000 0.411 55 K N 0.470 120.852 120.400 -0.030 0.000 2.032 55 K HA -0.169 4.151 4.320 0.000 0.000 0.209 55 K C 1.978 178.571 176.600 -0.012 0.000 1.048 55 K CA 1.330 57.608 56.287 -0.015 0.000 0.927 55 K CB -0.421 32.074 32.500 -0.007 0.000 0.712 55 K HN 0.336 nan 8.250 nan 0.000 0.441 56 L N 1.328 122.547 121.223 -0.006 0.000 2.017 56 L HA -0.199 4.141 4.340 0.000 0.000 0.208 56 L C 2.211 179.081 176.870 -0.001 0.000 1.073 56 L CA 1.194 56.047 54.840 0.022 0.000 0.745 56 L CB -0.191 41.920 42.059 0.088 0.000 0.894 56 L HN 0.208 nan 8.230 nan 0.000 0.432 57 L N -0.686 120.506 121.223 -0.052 0.000 2.012 57 L HA -0.270 4.070 4.340 0.000 0.000 0.210 57 L C 2.533 179.383 176.870 -0.034 0.000 1.073 57 L CA 2.039 56.846 54.840 -0.056 0.000 0.748 57 L CB -1.024 40.972 42.059 -0.106 0.000 0.891 57 L HN 0.309 nan 8.230 nan 0.000 0.431 58 T N -1.246 113.289 114.554 -0.032 0.000 2.720 58 T HA -0.293 4.057 4.350 0.000 0.000 0.268 58 T C 1.828 176.508 174.700 -0.033 0.000 1.037 58 T CA 1.393 63.478 62.100 -0.025 0.000 1.144 58 T CB -0.200 68.658 68.868 -0.017 0.000 0.864 58 T HN 0.357 nan 8.240 nan 0.000 0.444 59 Q N 0.178 119.961 119.800 -0.028 0.000 2.364 59 Q HA 0.033 4.373 4.340 0.000 0.000 0.207 59 Q C 1.765 177.726 176.000 -0.065 0.000 0.970 59 Q CA 0.729 56.512 55.803 -0.033 0.000 0.888 59 Q CB -0.151 28.581 28.738 -0.011 0.000 0.951 59 Q HN 0.512 nan 8.270 nan 0.000 0.469 60 L N -1.163 120.016 121.223 -0.073 0.000 2.591 60 L HA 0.188 4.528 4.340 0.000 0.000 0.228 60 L C 1.005 177.761 176.870 -0.189 0.000 1.133 60 L CA 0.541 55.297 54.840 -0.140 0.000 0.880 60 L CB 0.338 42.343 42.059 -0.088 0.000 1.033 60 L HN 0.410 nan 8.230 nan 0.000 0.450 61 G N 0.247 108.976 108.800 -0.118 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 0.106 174.974 174.900 -0.054 0.000 1.012 61 G CA -0.076 44.963 45.100 -0.102 0.000 0.696 61 G HN 0.207 nan 8.290 nan 0.000 0.508 62 T N 0.591 115.126 114.554 -0.033 0.000 2.907 62 T HA 0.550 4.900 4.350 0.000 0.000 0.284 62 T C 0.283 174.988 174.700 0.008 0.000 1.004 62 T CA -0.275 61.826 62.100 0.002 0.000 1.063 62 T CB 1.542 70.415 68.868 0.007 0.000 0.992 62 T HN 0.269 nan 8.240 nan 0.000 0.483 63 K N 2.190 122.607 120.400 0.028 0.000 2.264 63 K HA 0.576 4.896 4.320 0.000 0.000 0.277 63 K C -1.027 175.604 176.600 0.052 0.000 1.067 63 K CA -0.494 55.813 56.287 0.033 0.000 0.900 63 K CB 0.962 33.485 32.500 0.038 0.000 1.124 63 K HN 0.259 nan 8.250 nan 0.000 0.469 64 V N 3.175 123.116 119.914 0.044 0.000 2.735 64 V HA 0.442 4.562 4.120 0.000 0.000 0.310 64 V C -0.508 175.634 176.094 0.080 0.000 1.061 64 V CA -0.861 61.477 62.300 0.062 0.000 0.913 64 V CB 1.872 33.709 31.823 0.023 0.000 1.005 64 V HN 0.865 nan 8.190 nan 0.000 0.428 65 E N 3.757 124.042 120.200 0.142 0.000 2.390 65 E HA 0.763 5.113 4.350 0.000 0.000 0.280 65 E C -1.279 175.500 176.600 0.297 0.000 0.992 65 E CA -1.248 55.252 56.400 0.167 0.000 0.790 65 E CB 3.061 32.833 29.700 0.121 0.000 1.248 65 E HN 0.773 nan 8.360 nan 0.000 0.447 66 R N -0.020 120.637 120.500 0.262 0.000 2.810 66 R HA 0.410 4.750 4.340 0.000 0.000 0.266 66 R C -0.693 175.783 176.300 0.293 0.000 1.061 66 R CA -0.447 55.838 56.100 0.308 0.000 0.943 66 R CB 0.518 30.890 30.300 0.119 0.000 1.237 66 R HN 0.515 nan 8.270 nan 0.000 0.459 67 D N 0.173 120.734 120.400 0.268 0.000 2.256 67 D HA 0.095 4.735 4.640 0.000 0.000 0.279 67 D C 1.383 177.747 176.300 0.108 0.000 1.209 67 D CA 0.855 54.976 54.000 0.202 0.000 0.946 67 D CB -0.990 39.941 40.800 0.218 0.000 0.914 67 D HN 0.615 nan 8.370 nan 0.000 0.278 68 G N -1.094 107.749 108.800 0.071 0.000 2.744 68 G HA2 0.192 4.152 3.960 0.000 0.000 0.211 68 G HA3 0.192 4.152 3.960 0.000 0.000 0.211 68 G C 0.436 175.268 174.900 -0.114 0.000 1.146 68 G CA 0.173 45.267 45.100 -0.010 0.000 0.787 68 G HN 0.354 nan 8.290 nan 0.000 0.534 69 S N -1.207 114.347 115.700 -0.244 0.000 2.704 69 S HA 0.671 5.141 4.470 0.000 0.000 0.305 69 S C -0.895 173.356 174.600 -0.582 0.000 1.107 69 S CA -0.496 57.363 58.200 -0.568 0.000 0.993 69 S CB 2.455 65.019 63.200 -1.061 0.000 1.110 69 S HN -0.057 nan 8.310 nan 0.000 0.534 70 V N 1.824 121.394 119.914 -0.573 0.000 2.444 70 V HA 0.359 4.479 4.120 0.000 0.000 0.294 70 V C -1.089 174.798 176.094 -0.345 0.000 1.022 70 V CA -0.612 61.521 62.300 -0.279 0.000 0.850 70 V CB 1.169 32.895 31.823 -0.161 0.000 0.992 70 V HN 0.780 nan 8.190 nan 0.000 0.426 71 W N 5.527 126.827 121.300 -0.000 0.000 2.361 71 W HA 0.570 5.230 4.660 0.000 0.000 0.309 71 W C -0.730 175.796 176.519 0.010 0.000 1.122 71 W CA -0.571 56.781 57.345 0.013 0.000 1.208 71 W CB 1.605 31.073 29.460 0.013 0.000 1.246 71 W HN 0.299 nan 8.180 nan 0.000 0.490 72 I N 3.174 123.850 120.570 0.176 0.000 2.509 72 I HA 0.168 4.338 4.170 0.000 0.000 0.293 72 I C -0.540 175.657 176.117 0.132 0.000 1.020 72 I CA -0.579 60.794 61.300 0.122 0.000 1.088 72 I CB 1.912 39.955 38.000 0.072 0.000 1.267 72 I HN 0.280 nan 8.210 nan 0.000 0.430 73 D N 4.591 125.055 120.400 0.107 0.000 2.358 73 D HA 0.599 5.239 4.640 0.000 0.000 0.253 73 D C 0.177 176.529 176.300 0.087 0.000 1.288 73 D CA -0.256 53.803 54.000 0.097 0.000 0.950 73 D CB 1.703 42.554 40.800 0.085 0.000 1.197 73 D HN 0.613 nan 8.370 nan 0.000 0.550 74 A N 2.609 125.492 122.820 0.104 0.000 2.618 74 A HA 0.313 4.633 4.320 0.000 0.000 0.199 74 A C 1.703 179.366 177.584 0.131 0.000 1.666 74 A CA 2.097 54.210 52.037 0.127 0.000 0.621 74 A CB -0.924 18.179 19.000 0.171 0.000 1.172 74 A HN 1.254 nan 8.150 nan 0.000 0.489 75 S N -0.524 115.275 115.700 0.164 0.000 2.050 75 S HA -0.333 4.137 4.470 0.000 0.000 0.207 75 S C 0.713 175.417 174.600 0.174 0.000 1.119 75 S CA 2.018 60.311 58.200 0.155 0.000 1.767 75 S CB -1.969 61.290 63.200 0.099 0.000 2.446 75 S HN 0.697 nan 8.310 nan 0.000 0.584 76 N N 1.905 120.677 118.700 0.121 0.000 2.320 76 N HA 0.359 5.099 4.740 0.000 0.000 0.237 76 N C -0.426 175.102 175.510 0.029 0.000 1.129 76 N CA 0.453 53.554 53.050 0.084 0.000 0.854 76 N CB 0.764 39.278 38.487 0.045 0.000 1.083 76 N HN 0.539 nan 8.380 nan 0.000 0.504 77 V N 2.909 122.851 119.914 0.047 0.000 2.441 77 V HA -0.115 4.005 4.120 0.000 0.000 0.279 77 V C 1.090 176.973 176.094 -0.351 0.000 0.990 77 V CA 0.392 62.596 62.300 -0.160 0.000 1.116 77 V CB -0.621 31.084 31.823 -0.196 0.000 0.977 77 V HN 0.437 nan 8.190 nan 0.000 0.470 78 N N 3.267 121.738 118.700 -0.382 0.000 2.322 78 N HA 0.053 4.793 4.740 0.000 0.000 0.181 78 N C 0.371 175.387 175.510 -0.823 0.000 1.088 78 N CA -0.122 52.671 53.050 -0.430 0.000 0.885 78 N CB 0.114 38.478 38.487 -0.205 0.000 1.013 78 N HN 0.632 nan 8.380 nan 0.000 0.472 79 N N -0.595 117.534 118.700 -0.952 0.000 2.335 79 N HA 0.407 5.147 4.740 0.000 0.000 0.304 79 N C -1.545 173.248 175.510 -1.195 0.000 1.135 79 N CA -0.883 51.605 53.050 -0.937 0.000 0.817 79 N CB 0.974 39.228 38.487 -0.388 0.000 1.294 79 N HN -0.009 nan 8.380 nan 0.000 0.497 80 F N -0.206 119.704 119.950 -0.067 0.000 2.810 80 F HA 0.356 4.883 4.527 0.000 0.000 0.353 80 F C 0.021 175.844 175.800 0.039 0.000 1.227 80 F CA -0.593 57.385 58.000 -0.037 0.000 1.210 80 F CB -0.090 38.887 39.000 -0.038 0.000 1.039 80 F HN 0.323 nan 8.300 nan 0.000 0.509 81 S N 0.274 116.051 115.700 0.129 0.000 2.570 81 S HA 0.910 5.380 4.470 0.000 0.000 0.286 81 S C -0.702 173.985 174.600 0.145 0.000 1.099 81 S CA -0.816 57.491 58.200 0.178 0.000 0.913 81 S CB 2.322 65.644 63.200 0.204 0.000 1.085 81 S HN 0.232 nan 8.310 nan 0.000 0.480 82 A N 3.008 125.919 122.820 0.151 0.000 2.323 82 A HA 0.755 5.075 4.320 0.000 0.000 0.305 82 A C -2.715 174.914 177.584 0.075 0.000 1.275 82 A CA -1.920 50.172 52.037 0.092 0.000 0.804 82 A CB 0.497 19.531 19.000 0.056 0.000 1.152 82 A HN 0.669 nan 8.150 nan 0.000 0.487 83 P HA -0.008 nan 4.420 nan 0.000 0.271 83 P C 0.418 177.767 177.300 0.081 0.000 1.218 83 P CA 0.001 63.228 63.100 0.212 0.000 0.780 83 P CB 0.742 32.565 31.700 0.205 0.000 0.901 84 Y N 3.571 123.870 120.300 -0.002 0.000 2.002 84 Y HA -0.339 4.211 4.550 0.000 0.000 0.268 84 Y C 1.559 177.446 175.900 -0.022 0.000 1.177 84 Y CA 2.570 60.634 58.100 -0.059 0.000 1.111 84 Y CB -1.361 37.115 38.460 0.026 0.000 0.952 84 Y HN 0.331 nan 8.280 nan 0.000 0.491 85 D N 0.136 120.599 120.400 0.105 0.000 2.397 85 D HA -0.195 4.445 4.640 0.000 0.000 0.219 85 D C 1.834 178.072 176.300 -0.103 0.000 0.975 85 D CA 1.259 55.249 54.000 -0.018 0.000 0.940 85 D CB -0.194 40.668 40.800 0.104 0.000 0.884 85 D HN 0.478 nan 8.370 nan 0.000 0.505 86 L N -0.608 120.552 121.223 -0.105 0.000 2.519 86 L HA 0.058 4.398 4.340 0.000 0.000 0.194 86 L C 2.068 178.862 176.870 -0.127 0.000 1.072 86 L CA 0.126 54.917 54.840 -0.081 0.000 0.845 86 L CB 0.021 42.070 42.059 -0.016 0.000 1.138 86 L HN 0.054 nan 8.230 nan 0.000 0.487 87 V N -0.559 119.255 119.914 -0.167 0.000 2.970 87 V HA -0.194 3.926 4.120 0.000 0.000 0.260 87 V C 2.180 178.121 176.094 -0.255 0.000 1.100 87 V CA 1.758 63.948 62.300 -0.183 0.000 1.122 87 V CB -0.870 30.838 31.823 -0.193 0.000 0.721 87 V HN 0.611 nan 8.190 nan 0.000 0.483 88 K N 1.644 121.800 120.400 -0.407 0.000 2.442 88 K HA -0.081 4.239 4.320 0.000 0.000 0.198 88 K C 1.719 178.168 176.600 -0.251 0.000 1.042 88 K CA 1.635 57.652 56.287 -0.449 0.000 0.958 88 K CB -0.638 31.360 32.500 -0.837 0.000 0.766 88 K HN 0.657 nan 8.250 nan 0.000 0.474 89 T N -2.209 112.230 114.554 -0.192 0.000 3.022 89 T HA 0.203 4.553 4.350 0.000 0.000 0.250 89 T C 0.544 175.197 174.700 -0.077 0.000 1.060 89 T CA -0.426 61.604 62.100 -0.117 0.000 1.013 89 T CB 0.053 68.862 68.868 -0.099 0.000 0.982 89 T HN 0.260 nan 8.240 nan 0.000 0.508 90 M N 2.221 121.767 119.600 -0.090 0.000 2.356 90 M HA 0.318 4.798 4.480 0.000 0.000 0.215 90 M C 0.561 176.792 176.300 -0.115 0.000 0.978 90 M CA -0.613 54.648 55.300 -0.066 0.000 0.972 90 M CB 1.301 33.900 32.600 -0.003 0.000 2.529 90 M HN 0.134 nan 8.290 nan 0.000 0.447 91 R N 2.031 122.436 120.500 -0.158 0.000 2.237 91 R HA 0.028 4.368 4.340 0.000 0.000 0.219 91 R C 1.049 177.145 176.300 -0.339 0.000 1.080 91 R CA 1.530 57.493 56.100 -0.228 0.000 0.995 91 R CB -0.408 29.761 30.300 -0.218 0.000 0.875 91 R HN 0.660 nan 8.270 nan 0.000 0.462 92 A N 1.825 124.449 122.820 -0.326 0.000 2.178 92 A HA -0.109 4.211 4.320 0.000 0.000 0.218 92 A C 2.102 179.368 177.584 -0.530 0.000 1.157 92 A CA 1.245 52.963 52.037 -0.531 0.000 0.689 92 A CB -0.444 18.408 19.000 -0.248 0.000 0.787 92 A HN 0.617 nan 8.150 nan 0.000 0.465 93 S N -0.415 115.104 115.700 -0.302 0.000 2.547 93 S HA -0.088 4.382 4.470 0.000 0.000 0.235 93 S C 1.528 175.888 174.600 -0.401 0.000 0.980 93 S CA 0.919 58.961 58.200 -0.263 0.000 0.941 93 S CB -0.541 62.664 63.200 0.008 0.000 0.763 93 S HN 0.451 nan 8.310 nan 0.000 0.532 94 I N 0.923 121.217 120.570 -0.460 0.000 2.493 94 I HA 0.029 4.199 4.170 0.000 0.000 0.254 94 I C 1.469 177.411 176.117 -0.292 0.000 1.160 94 I CA 0.513 61.580 61.300 -0.390 0.000 1.445 94 I CB -0.632 37.045 38.000 -0.538 0.000 1.086 94 I HN 0.344 nan 8.210 nan 0.000 0.433 95 W N 0.663 121.646 121.300 -0.528 0.000 2.848 95 W HA 0.059 4.719 4.660 -0.000 0.000 0.241 95 W C 2.260 178.576 176.519 -0.340 0.000 1.289 95 W CA 0.741 57.816 57.345 -0.450 0.000 1.396 95 W CB -1.160 27.948 29.460 -0.587 0.000 1.138 95 W HN 0.320 nan 8.180 nan 0.000 0.677 96 A N -0.532 122.224 122.820 -0.107 0.000 1.975 96 A HA -0.044 4.276 4.320 0.000 0.000 0.215 96 A C 1.939 179.637 177.584 0.190 0.000 1.170 96 A CA 0.624 52.788 52.037 0.212 0.000 0.656 96 A CB -0.593 18.589 19.000 0.303 0.000 0.821 96 A HN 0.116 nan 8.150 nan 0.000 0.449 97 L N 0.454 121.747 121.223 0.116 0.000 1.990 97 L HA -0.114 4.226 4.340 0.000 0.000 0.213 97 L C 2.410 179.367 176.870 0.144 0.000 1.072 97 L CA 2.388 57.301 54.840 0.121 0.000 0.755 97 L CB -1.059 41.046 42.059 0.077 0.000 0.889 97 L HN 0.328 nan 8.230 nan 0.000 0.432 98 G N -0.733 108.161 108.800 0.156 0.000 2.545 98 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 98 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 98 G C -0.598 174.385 174.900 0.139 0.000 1.218 98 G CA 1.041 46.226 45.100 0.142 0.000 0.787 98 G HN 0.380 nan 8.290 nan 0.000 0.571 99 P HA -0.048 nan 4.420 nan 0.000 0.215 99 P C 2.150 179.591 177.300 0.236 0.000 1.153 99 P CA 0.753 63.962 63.100 0.182 0.000 0.853 99 P CB -0.137 31.698 31.700 0.225 0.000 0.788 100 L N -1.075 120.323 121.223 0.291 0.000 2.012 100 L HA -0.157 4.183 4.340 0.000 0.000 0.210 100 L C 2.456 179.492 176.870 0.276 0.000 1.073 100 L CA 1.462 56.534 54.840 0.387 0.000 0.748 100 L CB -1.175 41.081 42.059 0.328 0.000 0.891 100 L HN -0.084 nan 8.230 nan 0.000 0.431 101 V N -0.366 119.641 119.914 0.155 0.000 2.667 101 V HA -0.125 3.995 4.120 0.000 0.000 0.252 101 V C 2.465 178.583 176.094 0.041 0.000 1.065 101 V CA 1.527 63.872 62.300 0.076 0.000 1.083 101 V CB 0.170 32.028 31.823 0.058 0.000 0.692 101 V HN 0.417 nan 8.190 nan 0.000 0.468 102 A N -0.207 122.642 122.820 0.049 0.000 1.970 102 A HA -0.100 4.220 4.320 0.000 0.000 0.216 102 A C 2.383 179.932 177.584 -0.059 0.000 1.170 102 A CA 1.619 53.656 52.037 -0.000 0.000 0.645 102 A CB -0.380 18.626 19.000 0.011 0.000 0.816 102 A HN 0.546 nan 8.150 nan 0.000 0.447 103 R N -2.278 118.172 120.500 -0.084 0.000 2.146 103 R HA 0.173 4.513 4.340 0.000 0.000 0.206 103 R C 0.531 176.507 176.300 -0.540 0.000 1.049 103 R CA 0.677 56.575 56.100 -0.337 0.000 1.029 103 R CB 0.048 30.068 30.300 -0.466 0.000 0.949 103 R HN 0.433 nan 8.270 nan 0.000 0.471 104 F N -0.420 119.493 119.950 -0.061 0.000 2.678 104 F HA 0.403 4.930 4.527 -0.000 0.000 0.305 104 F C 1.290 176.940 175.800 -0.249 0.000 1.090 104 F CA 0.359 58.249 58.000 -0.183 0.000 1.272 104 F CB 1.357 40.141 39.000 -0.360 0.000 1.060 104 F HN 0.269 nan 8.300 nan 0.000 0.576 105 G N 1.074 109.851 108.800 -0.039 0.000 2.189 105 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 105 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 105 G C 0.101 174.958 174.900 -0.070 0.000 0.975 105 G CA 0.658 45.725 45.100 -0.055 0.000 0.644 105 G HN 0.535 nan 8.290 nan 0.000 0.537 106 Q N -1.898 117.839 119.800 -0.105 0.000 2.575 106 Q HA 0.666 5.006 4.340 0.000 0.000 0.290 106 Q C -0.471 175.510 176.000 -0.032 0.000 0.963 106 Q CA -0.547 55.198 55.803 -0.096 0.000 0.783 106 Q CB 1.680 30.315 28.738 -0.173 0.000 1.467 106 Q HN 1.677 nan 8.270 nan 0.000 0.402 107 G N 0.777 109.613 108.800 0.061 0.000 2.473 107 G HA2 0.433 4.393 3.960 0.000 0.000 0.298 107 G HA3 0.433 4.393 3.960 0.000 0.000 0.298 107 G C -2.070 172.920 174.900 0.149 0.000 1.575 107 G CA -0.635 44.557 45.100 0.152 0.000 0.846 107 G HN 0.475 nan 8.290 nan 0.000 0.585 108 Q N -0.146 119.766 119.800 0.187 0.000 2.285 108 Q HA 0.651 4.991 4.340 0.000 0.000 0.269 108 Q C -0.951 175.150 176.000 0.169 0.000 1.030 108 Q CA -0.839 55.085 55.803 0.202 0.000 0.788 108 Q CB 3.344 32.246 28.738 0.274 0.000 1.266 108 Q HN 0.485 nan 8.270 nan 0.000 0.438 109 V N 1.077 121.033 119.914 0.070 0.000 2.709 109 V HA 0.408 4.528 4.120 0.000 0.000 0.308 109 V C -0.277 175.661 176.094 -0.261 0.000 1.062 109 V CA -0.838 61.421 62.300 -0.068 0.000 0.901 109 V CB 2.127 33.912 31.823 -0.063 0.000 1.003 109 V HN 0.776 nan 8.190 nan 0.000 0.425 110 S N 4.053 119.448 115.700 -0.508 0.000 2.516 110 S HA 0.247 4.717 4.470 0.000 0.000 0.282 110 S C -0.070 174.365 174.600 -0.275 0.000 1.286 110 S CA -0.388 57.424 58.200 -0.647 0.000 1.066 110 S CB 0.037 62.894 63.200 -0.572 0.000 0.884 110 S HN 0.655 nan 8.310 nan 0.000 0.491 111 L N 8.104 129.224 121.223 -0.172 0.000 2.562 111 L HA 0.226 4.566 4.340 0.000 0.000 0.271 111 L C -1.679 175.143 176.870 -0.080 0.000 1.167 111 L CA -1.426 53.356 54.840 -0.096 0.000 0.917 111 L CB 0.471 42.508 42.059 -0.037 0.000 1.187 111 L HN 0.588 nan 8.230 nan 0.000 0.482 112 P HA 0.094 nan 4.420 nan 0.000 0.268 112 P C -0.016 177.251 177.300 -0.055 0.000 1.205 112 P CA -0.229 62.807 63.100 -0.106 0.000 0.771 112 P CB 0.977 32.582 31.700 -0.158 0.000 0.858 113 G N 1.797 110.582 108.800 -0.025 0.000 2.504 113 G HA2 0.473 4.433 3.960 0.000 0.000 0.257 113 G HA3 0.473 4.433 3.960 0.000 0.000 0.257 113 G C 0.233 175.123 174.900 -0.018 0.000 1.451 113 G CA -0.425 44.677 45.100 0.002 0.000 1.059 113 G HN 0.620 nan 8.290 nan 0.000 0.550 114 G N -2.097 106.700 108.800 -0.004 0.000 2.569 114 G HA2 0.401 4.361 3.960 0.000 0.000 0.249 114 G HA3 0.401 4.361 3.960 0.000 0.000 0.249 114 G C -0.312 174.575 174.900 -0.022 0.000 1.216 114 G CA 0.151 45.245 45.100 -0.010 0.000 0.845 114 G HN 0.722 nan 8.290 nan 0.000 0.568 115 C N 0.287 119.568 119.300 -0.031 0.000 2.630 115 C HA 0.720 5.180 4.460 0.000 0.000 0.346 115 C C 1.968 176.930 174.990 -0.047 0.000 1.245 115 C CA 0.254 59.241 59.018 -0.051 0.000 1.804 115 C CB 1.201 28.887 27.740 -0.091 0.000 2.279 115 C HN 1.036 nan 8.230 nan 0.000 0.498 116 A N 1.665 124.451 122.820 -0.055 0.000 1.877 116 A HA -0.081 4.239 4.320 0.000 0.000 0.216 116 A C 1.719 179.260 177.584 -0.072 0.000 1.186 116 A CA 2.134 54.140 52.037 -0.052 0.000 0.620 116 A CB -0.739 18.225 19.000 -0.059 0.000 0.822 116 A HN 1.103 nan 8.150 nan 0.000 0.443 117 I N -4.144 116.346 120.570 -0.134 0.000 3.564 117 I HA 0.457 4.627 4.170 0.000 0.000 0.294 117 I C 0.737 176.818 176.117 -0.060 0.000 1.289 117 I CA 0.462 61.673 61.300 -0.148 0.000 1.325 117 I CB -0.363 37.443 38.000 -0.324 0.000 1.039 117 I HN 0.298 nan 8.210 nan 0.000 0.474 118 G N -0.123 108.662 108.800 -0.025 0.000 2.340 118 G HA2 0.410 4.370 3.960 0.000 0.000 0.298 118 G HA3 0.410 4.370 3.960 0.000 0.000 0.298 118 G C 0.050 174.977 174.900 0.046 0.000 1.498 118 G CA -0.288 44.853 45.100 0.068 0.000 0.847 118 G HN 0.036 nan 8.290 nan 0.000 0.594 119 A N 0.057 122.905 122.820 0.048 0.000 2.019 119 A HA 0.214 4.534 4.320 0.000 0.000 0.219 119 A C 1.572 179.173 177.584 0.029 0.000 1.164 119 A CA 1.685 53.737 52.037 0.025 0.000 0.644 119 A CB -0.539 18.472 19.000 0.019 0.000 0.805 119 A HN 1.396 nan 8.150 nan 0.000 0.449 120 R N -1.004 119.540 120.500 0.073 0.000 3.092 120 R HA -0.128 4.212 4.340 0.000 0.000 0.245 120 R C -2.273 174.039 176.300 0.020 0.000 0.881 120 R CA 0.415 56.564 56.100 0.083 0.000 0.614 120 R CB -1.937 28.411 30.300 0.079 0.000 1.128 120 R HN 0.551 nan 8.270 nan 0.000 0.483 121 P HA 0.001 nan 4.420 nan 0.000 0.271 121 P C 0.200 177.504 177.300 0.007 0.000 1.233 121 P CA -0.181 62.921 63.100 0.002 0.000 0.789 121 P CB 0.995 32.700 31.700 0.009 0.000 0.951 122 V N 0.904 120.815 119.914 -0.006 0.000 3.070 122 V HA -0.012 4.108 4.120 0.000 0.000 0.345 122 V C 1.663 177.829 176.094 0.120 0.000 1.403 122 V CA 0.173 62.476 62.300 0.005 0.000 1.155 122 V CB -0.572 31.120 31.823 -0.219 0.000 1.140 122 V HN 0.619 nan 8.190 nan 0.000 0.505 123 D N 0.445 120.902 120.400 0.095 0.000 2.116 123 D HA -0.281 4.359 4.640 0.000 0.000 0.193 123 D C 1.805 178.203 176.300 0.165 0.000 0.998 123 D CA 1.630 55.692 54.000 0.103 0.000 0.836 123 D CB -0.170 40.659 40.800 0.049 0.000 0.951 123 D HN 0.506 nan 8.370 nan 0.000 0.449 124 L N 0.043 121.355 121.223 0.148 0.000 2.131 124 L HA -0.153 4.187 4.340 0.000 0.000 0.210 124 L C 2.869 179.863 176.870 0.207 0.000 1.092 124 L CA 1.086 56.016 54.840 0.149 0.000 0.759 124 L CB -0.712 41.370 42.059 0.039 0.000 0.903 124 L HN 0.153 nan 8.230 nan 0.000 0.435 125 H N 0.037 119.174 119.070 0.112 0.000 2.293 125 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 125 H C 2.464 177.852 175.328 0.101 0.000 1.082 125 H CA 1.892 58.001 56.048 0.102 0.000 1.308 125 H CB 0.022 29.817 29.762 0.055 0.000 1.375 125 H HN 0.326 nan 8.280 nan 0.000 0.495 126 I N 0.355 121.069 120.570 0.241 0.000 2.179 126 I HA -0.289 3.881 4.170 0.000 0.000 0.242 126 I C 2.574 178.778 176.117 0.144 0.000 1.088 126 I CA 1.156 62.549 61.300 0.154 0.000 1.357 126 I CB -0.392 37.683 38.000 0.125 0.000 1.051 126 I HN 0.081 nan 8.210 nan 0.000 0.409 127 F N 1.940 121.919 119.950 0.047 0.000 2.120 127 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 127 F C 2.266 178.079 175.800 0.022 0.000 1.095 127 F CA 1.821 59.837 58.000 0.026 0.000 1.249 127 F CB -0.839 38.171 39.000 0.016 0.000 0.995 127 F HN -0.004 nan 8.300 nan 0.000 0.480 128 G N 0.900 109.711 108.800 0.019 0.000 2.421 128 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 128 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 128 G C 1.775 176.599 174.900 -0.127 0.000 1.171 128 G CA 1.086 46.126 45.100 -0.101 0.000 0.775 128 G HN 0.451 nan 8.290 nan 0.000 0.543 129 L N 0.068 121.270 121.223 -0.035 0.000 2.046 129 L HA -0.078 4.262 4.340 0.000 0.000 0.208 129 L C 2.899 179.727 176.870 -0.069 0.000 1.077 129 L CA 1.312 56.138 54.840 -0.023 0.000 0.747 129 L CB -0.472 41.605 42.059 0.030 0.000 0.896 129 L HN 0.307 nan 8.230 nan 0.000 0.432 130 E N -0.048 120.093 120.200 -0.098 0.000 2.110 130 E HA -0.207 4.143 4.350 0.000 0.000 0.193 130 E C 2.126 178.623 176.600 -0.172 0.000 0.988 130 E CA 0.878 57.210 56.400 -0.113 0.000 0.804 130 E CB 0.072 29.712 29.700 -0.100 0.000 0.745 130 E HN 0.300 nan 8.360 nan 0.000 0.458 131 K N 0.393 120.612 120.400 -0.301 0.000 2.280 131 K HA -0.078 4.242 4.320 0.000 0.000 0.202 131 K C 1.845 178.353 176.600 -0.154 0.000 1.047 131 K CA 0.668 56.780 56.287 -0.293 0.000 0.942 131 K CB -0.004 32.220 32.500 -0.460 0.000 0.739 131 K HN 0.244 nan 8.250 nan 0.000 0.457 132 L N -0.351 120.801 121.223 -0.119 0.000 2.591 132 L HA 0.062 4.402 4.340 0.000 0.000 0.228 132 L C 1.145 177.983 176.870 -0.053 0.000 1.133 132 L CA 0.434 55.233 54.840 -0.069 0.000 0.880 132 L CB -0.007 42.023 42.059 -0.049 0.000 1.033 132 L HN 0.373 nan 8.230 nan 0.000 0.450 133 G N -0.422 108.342 108.800 -0.060 0.000 2.201 133 G HA2 -0.219 3.741 3.960 0.000 0.000 0.212 133 G HA3 -0.219 3.741 3.960 0.000 0.000 0.212 133 G C 0.401 175.282 174.900 -0.031 0.000 0.994 133 G CA -0.134 44.941 45.100 -0.042 0.000 0.644 133 G HN 0.428 nan 8.290 nan 0.000 0.508 134 A N 0.181 122.983 122.820 -0.029 0.000 2.407 134 A HA 0.622 4.942 4.320 0.000 0.000 0.248 134 A C 0.332 177.910 177.584 -0.010 0.000 1.082 134 A CA 0.678 52.707 52.037 -0.013 0.000 0.785 134 A CB 0.494 19.494 19.000 -0.001 0.000 1.020 134 A HN 0.590 nan 8.150 nan 0.000 0.489 135 E N 1.870 122.070 120.200 -0.000 0.000 2.109 135 E HA 0.435 4.785 4.350 0.000 0.000 0.278 135 E C -1.061 175.549 176.600 0.017 0.000 0.954 135 E CA -0.548 55.855 56.400 0.005 0.000 0.779 135 E CB 0.522 30.224 29.700 0.005 0.000 1.093 135 E HN 0.500 nan 8.360 nan 0.000 0.401 136 I N 4.272 124.855 120.570 0.022 0.000 2.354 136 I HA 0.357 4.527 4.170 0.000 0.000 0.292 136 I C -0.045 176.094 176.117 0.036 0.000 0.989 136 I CA -0.586 60.735 61.300 0.034 0.000 1.188 136 I CB 1.218 39.242 38.000 0.040 0.000 1.342 136 I HN 0.501 nan 8.210 nan 0.000 0.457 137 K N 4.907 125.332 120.400 0.043 0.000 2.385 137 K HA 0.644 4.964 4.320 0.000 0.000 0.248 137 K C -1.270 175.363 176.600 0.055 0.000 0.955 137 K CA -0.851 55.462 56.287 0.043 0.000 0.816 137 K CB 3.019 35.542 32.500 0.039 0.000 1.250 137 K HN 0.347 nan 8.250 nan 0.000 0.434 138 L N 2.519 123.773 121.223 0.052 0.000 2.345 138 L HA 0.361 4.701 4.340 0.000 0.000 0.274 138 L C -1.374 175.534 176.870 0.064 0.000 0.999 138 L CA 0.155 55.033 54.840 0.063 0.000 0.849 138 L CB 0.889 42.977 42.059 0.050 0.000 1.220 138 L HN 0.689 nan 8.230 nan 0.000 0.422 139 E N 2.805 123.056 120.200 0.085 0.000 2.275 139 E HA 0.449 4.799 4.350 0.000 0.000 0.270 139 E C -0.878 175.776 176.600 0.090 0.000 0.882 139 E CA -0.752 55.687 56.400 0.066 0.000 0.758 139 E CB 1.249 30.973 29.700 0.039 0.000 1.195 139 E HN 0.576 nan 8.360 nan 0.000 0.419 140 E N 1.553 121.793 120.200 0.066 0.000 2.297 140 E HA -0.281 4.069 4.350 0.000 0.000 0.228 140 E C 0.712 177.429 176.600 0.195 0.000 1.213 140 E CA 0.649 57.091 56.400 0.070 0.000 0.712 140 E CB -1.695 28.004 29.700 -0.002 0.000 1.202 140 E HN 1.153 nan 8.360 nan 0.000 0.376 141 G N -1.028 107.872 108.800 0.166 0.000 2.189 141 G HA2 -0.371 3.589 3.960 0.000 0.000 0.267 141 G HA3 -0.371 3.589 3.960 0.000 0.000 0.267 141 G C -0.261 174.754 174.900 0.192 0.000 0.975 141 G CA 0.797 45.997 45.100 0.167 0.000 0.644 141 G HN 0.344 nan 8.290 nan 0.000 0.537 142 Y N -0.803 119.515 120.300 0.029 0.000 2.331 142 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 142 Y C 0.462 176.380 175.900 0.030 0.000 0.992 142 Y CA -1.211 56.911 58.100 0.037 0.000 1.121 142 Y CB 2.082 40.566 38.460 0.040 0.000 1.184 142 Y HN 0.145 nan 8.280 nan 0.000 0.469 143 V N 6.267 126.235 119.914 0.090 0.000 2.389 143 V HA 0.277 4.397 4.120 0.000 0.000 0.264 143 V C -0.625 175.530 176.094 0.102 0.000 1.049 143 V CA -0.471 61.872 62.300 0.071 0.000 0.932 143 V CB -0.220 31.615 31.823 0.020 0.000 1.011 143 V HN 0.668 nan 8.190 nan 0.000 0.475 144 K N 6.308 126.770 120.400 0.104 0.000 2.240 144 K HA 0.768 5.088 4.320 0.000 0.000 0.271 144 K C -0.396 176.245 176.600 0.069 0.000 1.018 144 K CA -0.241 56.106 56.287 0.099 0.000 0.874 144 K CB 1.931 34.488 32.500 0.095 0.000 1.098 144 K HN 0.750 nan 8.250 nan 0.000 0.458 145 A N 1.864 124.724 122.820 0.066 0.000 2.365 145 A HA 0.740 5.060 4.320 0.000 0.000 0.318 145 A C -0.656 176.948 177.584 0.033 0.000 1.091 145 A CA -0.619 51.447 52.037 0.048 0.000 0.763 145 A CB 1.252 20.284 19.000 0.053 0.000 1.248 145 A HN 0.711 nan 8.150 nan 0.000 0.442 146 S N -0.182 115.529 115.700 0.018 0.000 2.596 146 S HA 0.788 5.258 4.470 0.000 0.000 0.270 146 S C -1.360 173.237 174.600 -0.004 0.000 1.155 146 S CA -0.481 57.720 58.200 0.002 0.000 0.827 146 S CB 1.368 64.568 63.200 -0.000 0.000 1.130 146 S HN 2.145 nan 8.310 nan 0.000 0.467 147 V N 1.054 120.960 119.914 -0.014 0.000 2.852 147 V HA 0.493 4.613 4.120 0.000 0.000 0.300 147 V C -1.781 174.300 176.094 -0.021 0.000 1.205 147 V CA -0.730 61.561 62.300 -0.016 0.000 0.940 147 V CB 1.920 33.733 31.823 -0.018 0.000 1.047 147 V HN 1.061 nan 8.190 nan 0.000 0.429 148 N N 5.368 124.057 118.700 -0.018 0.000 2.448 148 N HA 0.600 5.340 4.740 0.000 0.000 0.250 148 N C 0.375 175.872 175.510 -0.021 0.000 1.136 148 N CA 0.638 53.678 53.050 -0.018 0.000 0.953 148 N CB 0.973 39.452 38.487 -0.013 0.000 1.251 148 N HN 1.345 nan 8.380 nan 0.000 0.502 149 G N 1.359 110.143 108.800 -0.026 0.000 2.512 149 G HA2 -0.220 3.740 3.960 0.000 0.000 0.210 149 G HA3 -0.220 3.740 3.960 0.000 0.000 0.210 149 G C -0.703 174.175 174.900 -0.036 0.000 1.295 149 G CA -0.903 44.179 45.100 -0.030 0.000 0.934 149 G HN 0.390 nan 8.290 nan 0.000 0.554 150 R N -0.418 120.060 120.500 -0.037 0.000 2.577 150 R HA 0.584 4.924 4.340 0.000 0.000 0.269 150 R C 0.733 177.013 176.300 -0.033 0.000 1.084 150 R CA -0.534 55.542 56.100 -0.040 0.000 1.163 150 R CB 0.005 30.280 30.300 -0.041 0.000 1.100 150 R HN 0.526 nan 8.270 nan 0.000 0.547 151 L N 1.537 122.740 121.223 -0.033 0.000 2.439 151 L HA 0.247 4.587 4.340 0.000 0.000 0.261 151 L C 0.573 177.426 176.870 -0.030 0.000 1.153 151 L CA -0.313 54.510 54.840 -0.029 0.000 0.808 151 L CB 0.361 42.404 42.059 -0.026 0.000 1.126 151 L HN 0.165 nan 8.230 nan 0.000 0.460 152 K N 1.289 121.672 120.400 -0.029 0.000 2.244 152 K HA 0.367 4.687 4.320 0.000 0.000 0.260 152 K C -0.058 176.525 176.600 -0.027 0.000 0.951 152 K CA -0.502 55.769 56.287 -0.027 0.000 0.826 152 K CB 1.704 34.189 32.500 -0.025 0.000 1.108 152 K HN 0.727 nan 8.250 nan 0.000 0.433 153 G N 1.034 109.819 108.800 -0.025 0.000 2.474 153 G HA2 0.357 4.317 3.960 0.000 0.000 0.233 153 G HA3 0.357 4.317 3.960 0.000 0.000 0.233 153 G C -0.511 174.380 174.900 -0.014 0.000 1.278 153 G CA -0.029 45.058 45.100 -0.021 0.000 0.861 153 G HN 0.643 nan 8.290 nan 0.000 0.567 154 A N 1.163 123.981 122.820 -0.003 0.000 2.609 154 A HA 0.652 4.972 4.320 0.000 0.000 0.291 154 A C -0.929 176.704 177.584 0.081 0.000 1.096 154 A CA -0.711 51.339 52.037 0.020 0.000 0.684 154 A CB 1.074 20.066 19.000 -0.013 0.000 1.282 154 A HN 0.947 nan 8.150 nan 0.000 0.412 155 H N 1.051 120.111 119.070 -0.018 0.000 2.690 155 H HA 0.591 5.147 4.556 0.000 0.000 0.289 155 H C -1.003 174.332 175.328 0.011 0.000 1.089 155 H CA -0.440 55.608 56.048 -0.001 0.000 1.299 155 H CB 0.161 29.926 29.762 0.004 0.000 1.405 155 H HN 0.468 nan 8.280 nan 0.000 0.463 156 I N 6.265 126.926 120.570 0.153 0.000 2.362 156 I HA 0.175 4.345 4.170 0.000 0.000 0.289 156 I C -0.476 175.691 176.117 0.083 0.000 0.994 156 I CA -0.976 60.374 61.300 0.084 0.000 1.158 156 I CB 1.775 39.819 38.000 0.073 0.000 1.315 156 I HN 0.272 nan 8.210 nan 0.000 0.451 157 V N 6.584 126.538 119.914 0.066 0.000 2.370 157 V HA 0.353 4.473 4.120 0.000 0.000 0.279 157 V C 0.371 176.504 176.094 0.064 0.000 1.029 157 V CA -0.643 61.669 62.300 0.019 0.000 0.870 157 V CB 1.455 33.240 31.823 -0.064 0.000 0.984 157 V HN 0.599 nan 8.190 nan 0.000 0.451 158 M N 3.139 122.757 119.600 0.031 0.000 2.143 158 M HA 0.265 4.745 4.480 0.000 0.000 0.348 158 M C 0.893 177.143 176.300 -0.083 0.000 1.375 158 M CA -0.181 55.109 55.300 -0.016 0.000 1.124 158 M CB 0.518 33.121 32.600 0.005 0.000 1.669 158 M HN 0.553 nan 8.290 nan 0.000 0.469 159 D N 2.286 122.584 120.400 -0.169 0.000 2.149 159 D HA -0.096 4.544 4.640 0.000 0.000 0.198 159 D C 0.698 176.932 176.300 -0.109 0.000 0.990 159 D CA 1.549 55.452 54.000 -0.161 0.000 0.839 159 D CB 0.461 41.124 40.800 -0.229 0.000 0.948 159 D HN 0.524 nan 8.370 nan 0.000 0.460 160 K N -0.376 119.965 120.400 -0.098 0.000 2.482 160 K HA 0.377 4.697 4.320 0.000 0.000 0.257 160 K C -1.285 175.281 176.600 -0.057 0.000 0.969 160 K CA -0.685 55.557 56.287 -0.075 0.000 0.842 160 K CB 2.505 34.956 32.500 -0.082 0.000 1.359 160 K HN -0.346 nan 8.250 nan 0.000 0.441 161 V N 2.466 122.351 119.914 -0.049 0.000 2.427 161 V HA 0.194 4.314 4.120 0.000 0.000 0.268 161 V C -0.196 175.879 176.094 -0.033 0.000 1.046 161 V CA -0.044 62.237 62.300 -0.031 0.000 0.970 161 V CB 0.739 32.548 31.823 -0.023 0.000 1.001 161 V HN 0.680 nan 8.190 nan 0.000 0.476 162 S N 4.247 119.937 115.700 -0.017 0.000 2.647 162 S HA 0.420 4.890 4.470 0.000 0.000 0.300 162 S C 0.548 175.167 174.600 0.031 0.000 1.129 162 S CA -0.634 57.565 58.200 -0.003 0.000 1.029 162 S CB 1.895 65.084 63.200 -0.019 0.000 1.007 162 S HN 0.316 nan 8.310 nan 0.000 0.484 163 V N 5.467 125.427 119.914 0.078 0.000 2.270 163 V HA 0.004 4.124 4.120 0.000 0.000 0.245 163 V C 2.684 178.915 176.094 0.227 0.000 1.043 163 V CA 2.521 64.900 62.300 0.132 0.000 1.014 163 V CB -1.296 30.627 31.823 0.166 0.000 0.645 163 V HN 0.957 nan 8.190 nan 0.000 0.447 164 G N -0.281 108.702 108.800 0.305 0.000 2.459 164 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 164 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 164 G C 1.795 176.792 174.900 0.161 0.000 1.183 164 G CA 1.206 46.621 45.100 0.524 0.000 0.776 164 G HN 0.615 nan 8.290 nan 0.000 0.552 165 A N 0.072 122.653 122.820 -0.398 0.000 1.908 165 A HA -0.047 4.273 4.320 0.000 0.000 0.218 165 A C 2.528 180.009 177.584 -0.172 0.000 1.181 165 A CA 2.554 54.202 52.037 -0.648 0.000 0.627 165 A CB -1.022 17.748 19.000 -0.384 0.000 0.818 165 A HN 0.323 nan 8.150 nan 0.000 0.445 166 T N -0.378 114.148 114.554 -0.048 0.000 2.746 166 T HA -0.126 4.224 4.350 0.000 0.000 0.267 166 T C 1.876 176.574 174.700 -0.003 0.000 1.039 166 T CA 1.583 63.680 62.100 -0.006 0.000 1.142 166 T CB -0.432 68.443 68.868 0.012 0.000 0.866 166 T HN 0.173 nan 8.240 nan 0.000 0.444 167 V N 1.379 121.306 119.914 0.022 0.000 2.295 167 V HA -0.200 3.920 4.120 0.000 0.000 0.246 167 V C 2.799 178.874 176.094 -0.033 0.000 1.049 167 V CA 2.065 64.321 62.300 -0.073 0.000 1.024 167 V CB -1.170 30.486 31.823 -0.278 0.000 0.648 167 V HN 0.509 nan 8.190 nan 0.000 0.447 168 T N 0.435 115.060 114.554 0.117 0.000 2.635 168 T HA -0.195 4.155 4.350 0.000 0.000 0.267 168 T C 1.789 176.534 174.700 0.075 0.000 1.040 168 T CA 2.172 64.378 62.100 0.177 0.000 1.156 168 T CB -0.330 68.722 68.868 0.306 0.000 0.863 168 T HN 0.346 nan 8.240 nan 0.000 0.430 169 I N 0.700 121.290 120.570 0.034 0.000 2.179 169 I HA -0.188 3.982 4.170 0.000 0.000 0.242 169 I C 2.620 178.740 176.117 0.006 0.000 1.088 169 I CA 1.404 62.714 61.300 0.018 0.000 1.357 169 I CB -0.423 37.584 38.000 0.013 0.000 1.051 169 I HN 0.263 nan 8.210 nan 0.000 0.409 170 M N 0.362 119.959 119.600 -0.005 0.000 2.149 170 M HA -0.217 4.263 4.480 0.000 0.000 0.261 170 M C 2.399 178.686 176.300 -0.022 0.000 1.064 170 M CA 1.867 57.157 55.300 -0.017 0.000 1.102 170 M CB -0.014 32.569 32.600 -0.028 0.000 1.369 170 M HN 0.128 nan 8.290 nan 0.000 0.408 171 S N 0.712 116.400 115.700 -0.020 0.000 2.345 171 S HA -0.047 4.423 4.470 0.000 0.000 0.220 171 S C 2.031 176.633 174.600 0.004 0.000 1.031 171 S CA 1.301 59.494 58.200 -0.011 0.000 0.996 171 S CB -0.530 62.669 63.200 -0.002 0.000 0.882 171 S HN 0.696 nan 8.310 nan 0.000 0.445 172 A N 1.508 124.340 122.820 0.020 0.000 1.933 172 A HA 0.103 4.423 4.320 0.000 0.000 0.218 172 A C 2.300 179.881 177.584 -0.004 0.000 1.175 172 A CA 1.662 53.710 52.037 0.019 0.000 0.628 172 A CB -0.977 18.042 19.000 0.032 0.000 0.814 172 A HN 0.513 nan 8.150 nan 0.000 0.444 173 A N -0.082 122.732 122.820 -0.010 0.000 2.019 173 A HA -0.086 4.234 4.320 0.000 0.000 0.219 173 A C 2.359 179.925 177.584 -0.030 0.000 1.164 173 A CA 2.304 54.329 52.037 -0.020 0.000 0.644 173 A CB -1.408 17.581 19.000 -0.018 0.000 0.805 173 A HN 0.819 nan 8.150 nan 0.000 0.449 174 T N -1.825 112.708 114.554 -0.035 0.000 2.849 174 T HA -0.063 4.287 4.350 0.000 0.000 0.270 174 T C 1.288 175.958 174.700 -0.050 0.000 1.066 174 T CA 1.517 63.588 62.100 -0.048 0.000 1.130 174 T CB -0.378 68.454 68.868 -0.060 0.000 0.864 174 T HN 0.325 nan 8.240 nan 0.000 0.481 175 L N 0.609 121.804 121.223 -0.047 0.000 2.818 175 L HA 0.545 4.885 4.340 0.000 0.000 0.243 175 L C 1.248 178.090 176.870 -0.048 0.000 1.185 175 L CA -0.595 54.212 54.840 -0.055 0.000 0.988 175 L CB -0.292 41.727 42.059 -0.066 0.000 1.292 175 L HN 0.309 nan 8.230 nan 0.000 0.519 176 A N 0.228 123.024 122.820 -0.040 0.000 2.287 176 A HA 0.263 4.583 4.320 0.000 0.000 0.273 176 A C 0.077 177.640 177.584 -0.036 0.000 1.091 176 A CA -0.272 51.743 52.037 -0.036 0.000 0.817 176 A CB 0.464 19.446 19.000 -0.030 0.000 1.069 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N -0.000 120.180 120.200 -0.033 0.000 2.044 177 E HA 0.464 4.814 4.350 0.000 0.000 0.282 177 E C 0.484 177.067 176.600 -0.028 0.000 1.031 177 E CA 0.770 57.152 56.400 -0.031 0.000 0.824 177 E CB 0.160 29.843 29.700 -0.029 0.000 1.076 177 E HN 1.317 nan 8.360 nan 0.000 0.395 178 G N 2.672 111.455 108.800 -0.029 0.000 2.447 178 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 178 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 178 G C -0.576 174.306 174.900 -0.030 0.000 1.261 178 G CA -0.609 44.474 45.100 -0.028 0.000 1.000 178 G HN 0.450 nan 8.290 nan 0.000 0.515 179 T N 1.096 115.631 114.554 -0.032 0.000 2.824 179 T HA 0.709 5.059 4.350 0.000 0.000 0.280 179 T C -0.033 174.646 174.700 -0.034 0.000 0.995 179 T CA 0.202 62.280 62.100 -0.037 0.000 1.009 179 T CB 1.558 70.399 68.868 -0.046 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.475 118.011 114.554 -0.030 0.000 2.856 180 T HA 0.665 5.015 4.350 0.000 0.000 0.283 180 T C -0.398 174.293 174.700 -0.015 0.000 1.008 180 T CA -0.528 61.563 62.100 -0.014 0.000 0.997 180 T CB 0.724 69.587 68.868 -0.008 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.171 123.749 120.570 0.014 0.000 2.478 181 I HA 0.436 4.606 4.170 0.000 0.000 0.287 181 I C -0.733 175.465 176.117 0.136 0.000 1.042 181 I CA -0.774 60.543 61.300 0.028 0.000 1.067 181 I CB 1.841 39.776 38.000 -0.109 0.000 1.233 181 I HN 0.462 nan 8.210 nan 0.000 0.431 182 I N 5.872 126.497 120.570 0.091 0.000 2.307 182 I HA 0.264 4.434 4.170 0.000 0.000 0.289 182 I C 0.079 176.254 176.117 0.096 0.000 1.021 182 I CA -0.592 60.764 61.300 0.093 0.000 1.224 182 I CB 0.900 38.932 38.000 0.052 0.000 1.376 182 I HN 0.439 nan 8.210 nan 0.000 0.470 183 E N 4.869 125.134 120.200 0.108 0.000 2.266 183 E HA 0.115 4.465 4.350 0.000 0.000 0.277 183 E C 0.200 176.826 176.600 0.042 0.000 1.018 183 E CA -0.341 56.107 56.400 0.080 0.000 0.840 183 E CB 1.026 30.759 29.700 0.056 0.000 1.082 183 E HN 0.553 nan 8.360 nan 0.000 0.395 184 N N 0.476 119.195 118.700 0.030 0.000 2.740 184 N HA -0.227 4.513 4.740 0.000 0.000 0.248 184 N C -1.114 174.405 175.510 0.016 0.000 1.062 184 N CA 0.800 53.859 53.050 0.014 0.000 0.704 184 N CB -0.840 37.646 38.487 -0.001 0.000 0.968 184 N HN 0.567 nan 8.380 nan 0.000 0.547 185 A N -0.103 122.731 122.820 0.025 0.000 2.366 185 A HA 0.694 5.014 4.320 0.000 0.000 0.249 185 A C 0.891 178.489 177.584 0.023 0.000 1.084 185 A CA 0.139 52.190 52.037 0.023 0.000 0.794 185 A CB 0.337 19.352 19.000 0.025 0.000 1.034 185 A HN 0.871 nan 8.150 nan 0.000 0.491 186 A N 0.773 123.607 122.820 0.023 0.000 2.440 186 A HA 0.488 4.808 4.320 0.000 0.000 0.251 186 A C 0.632 178.241 177.584 0.042 0.000 1.089 186 A CA -0.278 51.779 52.037 0.033 0.000 0.779 186 A CB -0.009 19.013 19.000 0.037 0.000 1.022 186 A HN 0.741 nan 8.150 nan 0.000 0.492 187 R N 0.876 121.416 120.500 0.067 0.000 2.466 187 R HA 0.199 4.539 4.340 0.000 0.000 0.279 187 R C -0.405 175.965 176.300 0.118 0.000 0.976 187 R CA -0.115 56.039 56.100 0.090 0.000 1.081 187 R CB 0.052 30.415 30.300 0.105 0.000 1.215 187 R HN 0.778 nan 8.270 nan 0.000 0.546 188 E N 0.918 121.144 120.200 0.044 0.000 2.437 188 E HA -0.010 4.340 4.350 0.000 0.000 0.263 188 E C -1.546 174.949 176.600 -0.175 0.000 1.030 188 E CA -1.331 54.995 56.400 -0.123 0.000 0.934 188 E CB 0.571 30.231 29.700 -0.067 0.000 0.943 188 E HN -0.075 nan 8.360 nan 0.000 0.444 189 P HA -0.173 nan 4.420 nan 0.000 0.217 189 P C 0.273 177.516 177.300 -0.096 0.000 1.148 189 P CA 1.207 64.193 63.100 -0.189 0.000 0.828 189 P CB 0.294 31.853 31.700 -0.235 0.000 0.783 190 E N -0.963 119.179 120.200 -0.096 0.000 2.150 190 E HA -0.127 4.223 4.350 0.000 0.000 0.193 190 E C 1.954 178.517 176.600 -0.062 0.000 0.985 190 E CA 0.807 57.171 56.400 -0.061 0.000 0.814 190 E CB -0.864 28.811 29.700 -0.043 0.000 0.752 190 E HN 0.196 nan 8.360 nan 0.000 0.466 191 I N 0.245 120.783 120.570 -0.054 0.000 2.226 191 I HA -0.202 3.968 4.170 0.000 0.000 0.245 191 I C 2.123 178.217 176.117 -0.039 0.000 1.100 191 I CA 0.932 62.203 61.300 -0.047 0.000 1.374 191 I CB -0.992 36.996 38.000 -0.021 0.000 1.057 191 I HN 0.022 nan 8.210 nan 0.000 0.413 192 V N 1.030 120.930 119.914 -0.023 0.000 2.287 192 V HA -0.300 3.820 4.120 0.000 0.000 0.248 192 V C 2.284 178.383 176.094 0.009 0.000 1.053 192 V CA 2.188 64.486 62.300 -0.003 0.000 1.027 192 V CB -0.705 31.124 31.823 0.009 0.000 0.646 192 V HN 0.308 nan 8.190 nan 0.000 0.447 193 D N -0.251 120.158 120.400 0.015 0.000 2.117 193 D HA -0.140 4.500 4.640 0.000 0.000 0.197 193 D C 2.279 178.542 176.300 -0.062 0.000 0.987 193 D CA 1.764 55.801 54.000 0.062 0.000 0.829 193 D CB -0.145 40.704 40.800 0.082 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.460 194 T N -0.307 114.194 114.554 -0.088 0.000 2.788 194 T HA -0.097 4.253 4.350 0.000 0.000 0.268 194 T C 1.911 176.565 174.700 -0.076 0.000 1.044 194 T CA 1.289 63.324 62.100 -0.108 0.000 1.139 194 T CB -0.394 68.386 68.868 -0.147 0.000 0.867 194 T HN 0.206 nan 8.240 nan 0.000 0.454 195 A N 2.698 125.475 122.820 -0.071 0.000 1.858 195 A HA -0.168 4.152 4.320 0.000 0.000 0.216 195 A C 2.235 179.766 177.584 -0.089 0.000 1.190 195 A CA 1.568 53.565 52.037 -0.066 0.000 0.617 195 A CB -0.672 18.305 19.000 -0.040 0.000 0.827 195 A HN 0.392 nan 8.150 nan 0.000 0.443 196 N N -1.007 117.648 118.700 -0.074 0.000 2.289 196 N HA -0.127 4.613 4.740 0.000 0.000 0.184 196 N C 1.352 176.721 175.510 -0.235 0.000 1.016 196 N CA 1.414 54.431 53.050 -0.054 0.000 0.872 196 N CB -0.586 37.978 38.487 0.129 0.000 0.973 196 N HN 0.575 nan 8.380 nan 0.000 0.433 197 F N 1.719 121.251 119.950 -0.697 0.000 2.113 197 F HA 0.002 4.529 4.527 -0.000 0.000 0.297 197 F C 1.995 177.583 175.800 -0.355 0.000 1.103 197 F CA 0.936 58.414 58.000 -0.870 0.000 1.248 197 F CB -0.527 37.949 39.000 -0.873 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 L N -0.359 120.599 121.223 -0.442 0.000 2.042 198 L HA -0.237 4.103 4.340 0.000 0.000 0.210 198 L C 2.425 179.100 176.870 -0.325 0.000 1.076 198 L CA 1.173 55.760 54.840 -0.422 0.000 0.749 198 L CB -0.964 40.980 42.059 -0.193 0.000 0.893 198 L HN 0.035 nan 8.230 nan 0.000 0.432 199 V N 0.085 119.868 119.914 -0.218 0.000 2.407 199 V HA -0.301 3.819 4.120 0.000 0.000 0.248 199 V C 2.711 178.719 176.094 -0.143 0.000 1.055 199 V CA 1.774 63.991 62.300 -0.139 0.000 1.049 199 V CB -0.854 30.924 31.823 -0.076 0.000 0.662 199 V HN 0.502 nan 8.190 nan 0.000 0.455 200 A N -0.499 122.213 122.820 -0.180 0.000 2.015 200 A HA -0.071 4.249 4.320 0.000 0.000 0.219 200 A C 2.062 179.536 177.584 -0.183 0.000 1.163 200 A CA 1.330 53.294 52.037 -0.120 0.000 0.646 200 A CB -0.414 18.570 19.000 -0.026 0.000 0.806 200 A HN 0.539 nan 8.150 nan 0.000 0.448 201 L N -1.644 119.385 121.223 -0.324 0.000 2.599 201 L HA 0.181 4.521 4.340 0.000 0.000 0.230 201 L C 1.665 178.432 176.870 -0.172 0.000 1.141 201 L CA 0.628 55.300 54.840 -0.279 0.000 0.877 201 L CB -0.078 41.734 42.059 -0.411 0.000 1.009 201 L HN 0.594 nan 8.230 nan 0.000 0.447 202 G N -0.631 108.080 108.800 -0.147 0.000 2.192 202 G HA2 -0.185 3.775 3.960 0.000 0.000 0.193 202 G HA3 -0.185 3.775 3.960 0.000 0.000 0.193 202 G C 0.409 175.252 174.900 -0.096 0.000 0.999 202 G CA -0.166 44.875 45.100 -0.100 0.000 0.659 202 G HN 0.414 nan 8.290 nan 0.000 0.503 203 A N 0.162 122.909 122.820 -0.121 0.000 2.406 203 A HA 0.621 4.941 4.320 0.000 0.000 0.243 203 A C 0.457 177.994 177.584 -0.078 0.000 1.082 203 A CA 0.545 52.522 52.037 -0.100 0.000 0.786 203 A CB 0.295 19.224 19.000 -0.118 0.000 1.029 203 A HN 0.383 nan 8.150 nan 0.000 0.495 204 K N 1.165 121.527 120.400 -0.062 0.000 2.404 204 K HA 0.580 4.900 4.320 0.000 0.000 0.257 204 K C -1.368 175.205 176.600 -0.045 0.000 1.026 204 K CA 0.299 56.556 56.287 -0.049 0.000 0.951 204 K CB 0.950 33.425 32.500 -0.042 0.000 1.203 204 K HN 0.585 nan 8.250 nan 0.000 0.446 205 I N 1.271 121.815 120.570 -0.043 0.000 2.769 205 I HA 0.348 4.518 4.170 0.000 0.000 0.298 205 I C -0.386 175.715 176.117 -0.027 0.000 1.128 205 I CA -0.791 60.487 61.300 -0.036 0.000 1.031 205 I CB 2.379 40.354 38.000 -0.042 0.000 1.235 205 I HN 0.554 nan 8.210 nan 0.000 0.423 206 S N 1.892 117.580 115.700 -0.021 0.000 2.556 206 S HA 0.809 5.279 4.470 0.000 0.000 0.271 206 S C 0.137 174.732 174.600 -0.010 0.000 1.135 206 S CA -0.002 58.190 58.200 -0.014 0.000 0.858 206 S CB 2.000 65.191 63.200 -0.015 0.000 1.114 206 S HN 1.402 nan 8.310 nan 0.000 0.468 207 G N 0.808 109.606 108.800 -0.004 0.000 2.213 207 G HA2 -0.246 3.714 3.960 0.000 0.000 0.236 207 G HA3 -0.246 3.714 3.960 0.000 0.000 0.236 207 G C 0.143 175.047 174.900 0.006 0.000 0.991 207 G CA 0.102 45.203 45.100 0.002 0.000 0.629 207 G HN 1.337 nan 8.290 nan 0.000 0.517 208 Q N 0.497 120.299 119.800 0.003 0.000 2.283 208 Q HA 0.367 4.707 4.340 0.000 0.000 0.301 208 Q C 1.174 177.183 176.000 0.015 0.000 1.063 208 Q CA 1.233 57.039 55.803 0.005 0.000 0.952 208 Q CB 0.801 29.537 28.738 -0.003 0.000 1.166 208 Q HN 1.889 nan 8.270 nan 0.000 0.381 209 G N 2.210 111.024 108.800 0.023 0.000 2.213 209 G HA2 -0.281 3.679 3.960 0.000 0.000 0.226 209 G HA3 -0.281 3.679 3.960 0.000 0.000 0.226 209 G C 0.244 175.169 174.900 0.042 0.000 0.992 209 G CA 0.307 45.431 45.100 0.040 0.000 0.632 209 G HN 1.158 nan 8.290 nan 0.000 0.511 210 T N -1.607 112.965 114.554 0.029 0.000 2.919 210 T HA 0.562 4.912 4.350 0.000 0.000 0.282 210 T C 0.601 175.316 174.700 0.025 0.000 1.020 210 T CA 0.561 62.676 62.100 0.025 0.000 0.994 210 T CB 1.691 70.570 68.868 0.017 0.000 1.180 210 T HN 0.173 nan 8.240 nan 0.000 0.566 211 D N -0.965 119.449 120.400 0.022 0.000 2.325 211 D HA 0.141 4.781 4.640 0.000 0.000 0.234 211 D C 0.505 176.822 176.300 0.029 0.000 1.122 211 D CA -0.293 53.721 54.000 0.024 0.000 0.850 211 D CB -0.189 40.622 40.800 0.018 0.000 0.921 211 D HN 0.595 nan 8.370 nan 0.000 0.513 212 R N 0.690 121.207 120.500 0.028 0.000 2.539 212 R HA 0.437 4.777 4.340 0.000 0.000 0.295 212 R C -1.776 174.537 176.300 0.022 0.000 1.138 212 R CA -0.501 55.619 56.100 0.034 0.000 0.936 212 R CB 0.465 30.785 30.300 0.035 0.000 1.182 212 R HN 0.017 nan 8.270 nan 0.000 0.459 213 I N 3.592 124.175 120.570 0.022 0.000 2.377 213 I HA 0.360 4.530 4.170 0.000 0.000 0.293 213 I C -0.322 175.796 176.117 0.002 0.000 0.987 213 I CA -0.825 60.480 61.300 0.009 0.000 1.185 213 I CB 2.402 40.406 38.000 0.007 0.000 1.341 213 I HN 0.594 nan 8.210 nan 0.000 0.455 214 T N 7.074 121.621 114.554 -0.011 0.000 2.779 214 T HA 0.635 4.985 4.350 0.000 0.000 0.280 214 T C -0.400 174.285 174.700 -0.026 0.000 0.987 214 T CA -0.315 61.771 62.100 -0.023 0.000 0.966 214 T CB 1.028 69.876 68.868 -0.033 0.000 0.933 214 T HN 0.165 nan 8.240 nan 0.000 0.442 215 I N 2.478 123.032 120.570 -0.027 0.000 2.465 215 I HA 0.372 4.542 4.170 0.000 0.000 0.291 215 I C 0.160 176.257 176.117 -0.034 0.000 1.014 215 I CA -0.591 60.690 61.300 -0.031 0.000 1.093 215 I CB 1.960 39.942 38.000 -0.029 0.000 1.267 215 I HN 0.543 nan 8.210 nan 0.000 0.431 216 E N 4.690 124.868 120.200 -0.037 0.000 2.102 216 E HA 0.514 4.864 4.350 0.000 0.000 0.263 216 E C 0.123 176.700 176.600 -0.039 0.000 0.894 216 E CA -0.628 55.750 56.400 -0.036 0.000 0.746 216 E CB 1.137 30.816 29.700 -0.035 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.312 111.089 108.800 -0.038 0.000 2.647 217 G HA2 0.257 4.217 3.960 0.000 0.000 0.234 217 G HA3 0.257 4.217 3.960 0.000 0.000 0.234 217 G C 0.073 174.948 174.900 -0.042 0.000 1.252 217 G CA 0.192 45.268 45.100 -0.041 0.000 0.846 217 G HN 0.450 nan 8.290 nan 0.000 0.589 218 V N -1.372 118.514 119.914 -0.047 0.000 3.160 218 V HA 0.557 4.677 4.120 0.000 0.000 0.310 218 V C 0.818 176.882 176.094 -0.051 0.000 1.181 218 V CA -0.758 61.514 62.300 -0.047 0.000 1.047 218 V CB 1.867 33.660 31.823 -0.051 0.000 1.068 218 V HN 0.777 nan 8.190 nan 0.000 0.441 219 E N 1.052 121.223 120.200 -0.048 0.000 2.072 219 E HA -0.030 4.320 4.350 0.000 0.000 0.191 219 E C 0.417 176.980 176.600 -0.063 0.000 0.985 219 E CA 1.736 58.106 56.400 -0.051 0.000 0.801 219 E CB 0.124 29.798 29.700 -0.043 0.000 0.750 219 E HN 0.764 nan 8.360 nan 0.000 0.452 220 R N -0.799 119.665 120.500 -0.061 0.000 2.716 220 R HA 0.522 4.862 4.340 0.000 0.000 0.271 220 R C -1.376 174.884 176.300 -0.067 0.000 1.028 220 R CA -0.743 55.316 56.100 -0.069 0.000 0.883 220 R CB 0.921 31.184 30.300 -0.061 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.140 122.320 121.223 -0.072 0.000 2.334 221 L HA 0.598 4.938 4.340 0.000 0.000 0.276 221 L C 0.685 177.516 176.870 -0.064 0.000 1.014 221 L CA -0.630 54.161 54.840 -0.083 0.000 0.815 221 L CB 1.979 43.975 42.059 -0.105 0.000 1.268 221 L HN 1.003 nan 8.230 nan 0.000 0.428 222 G N 1.206 109.965 108.800 -0.068 0.000 3.311 222 G HA2 0.606 4.566 3.960 0.000 0.000 0.169 222 G HA3 0.606 4.566 3.960 0.000 0.000 0.169 222 G C 0.044 174.924 174.900 -0.033 0.000 1.852 222 G CA 0.413 45.489 45.100 -0.041 0.000 1.010 222 G HN 0.762 nan 8.290 nan 0.000 0.530 223 G N -3.119 105.668 108.800 -0.023 0.000 2.911 223 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 -0.371 174.533 174.900 0.007 0.000 1.283 223 G CA 0.149 45.252 45.100 0.006 0.000 0.805 223 G HN 1.838 nan 8.290 nan 0.000 0.548 224 G N -2.618 106.217 108.800 0.059 0.000 2.350 224 G HA2 0.503 4.463 3.960 0.000 0.000 0.282 224 G HA3 0.503 4.463 3.960 0.000 0.000 0.282 224 G C -2.000 172.975 174.900 0.125 0.000 1.314 224 G CA 0.170 45.314 45.100 0.074 0.000 0.915 224 G HN 1.428 nan 8.290 nan 0.000 0.499 225 V N 0.507 120.500 119.914 0.132 0.000 2.531 225 V HA 0.710 4.830 4.120 0.000 0.000 0.301 225 V C -1.256 174.955 176.094 0.195 0.000 1.034 225 V CA -0.572 61.805 62.300 0.128 0.000 0.865 225 V CB 1.493 33.358 31.823 0.069 0.000 0.995 225 V HN 0.920 nan 8.190 nan 0.000 0.424 226 Y N 4.310 124.653 120.300 0.070 0.000 2.421 226 Y HA 0.596 5.146 4.550 0.000 0.000 0.339 226 Y C -0.164 175.722 175.900 -0.023 0.000 0.996 226 Y CA -0.824 57.324 58.100 0.079 0.000 1.046 226 Y CB 1.681 40.304 38.460 0.271 0.000 1.226 226 Y HN 0.615 nan 8.280 nan 0.000 0.445 227 R N 5.470 125.639 120.500 -0.551 0.000 2.255 227 R HA 0.568 4.908 4.340 0.000 0.000 0.326 227 R C -1.362 174.734 176.300 -0.340 0.000 0.986 227 R CA -0.515 55.376 56.100 -0.348 0.000 0.847 227 R CB 0.798 30.929 30.300 -0.282 0.000 1.111 227 R HN 0.620 nan 8.270 nan 0.000 0.452 228 V N 6.368 126.217 119.914 -0.108 0.000 2.763 228 V HA -0.003 4.117 4.120 0.000 0.000 0.306 228 V C 1.028 177.094 176.094 -0.046 0.000 1.059 228 V CA -0.119 62.173 62.300 -0.013 0.000 1.138 228 V CB 0.606 32.411 31.823 -0.030 0.000 0.940 228 V HN 0.691 nan 8.190 nan 0.000 0.489 229 L N 4.580 125.800 121.223 -0.005 0.000 2.476 229 L HA 0.549 4.889 4.340 0.000 0.000 0.255 229 L C -2.394 174.464 176.870 -0.020 0.000 1.218 229 L CA -1.664 53.165 54.840 -0.019 0.000 0.819 229 L CB -0.061 41.998 42.059 -0.000 0.000 1.119 229 L HN 0.346 nan 8.230 nan 0.000 0.485 230 P HA -0.013 nan 4.420 nan 0.000 0.269 230 P C -1.157 176.138 177.300 -0.007 0.000 1.209 230 P CA 0.046 63.143 63.100 -0.005 0.000 0.776 230 P CB 0.338 32.041 31.700 0.005 0.000 0.876 231 D N 2.870 123.268 120.400 -0.002 0.000 2.359 231 D HA -0.005 4.635 4.640 0.000 0.000 0.250 231 D C 1.317 177.617 176.300 -0.001 0.000 1.264 231 D CA -0.095 53.895 54.000 -0.016 0.000 0.911 231 D CB 0.517 41.298 40.800 -0.032 0.000 1.056 231 D HN 0.341 nan 8.370 nan 0.000 0.499 232 R N 3.658 124.150 120.500 -0.015 0.000 2.152 232 R HA -0.118 4.222 4.340 0.000 0.000 0.232 232 R C 1.367 177.669 176.300 0.003 0.000 1.117 232 R CA 0.564 56.662 56.100 -0.003 0.000 0.981 232 R CB -0.108 30.177 30.300 -0.026 0.000 0.870 232 R HN 0.339 nan 8.270 nan 0.000 0.451 233 I N 1.737 122.292 120.570 -0.024 0.000 2.353 233 I HA -0.118 4.052 4.170 0.000 0.000 0.248 233 I C 2.492 178.613 176.117 0.008 0.000 1.119 233 I CA 1.148 62.434 61.300 -0.024 0.000 1.417 233 I CB -1.171 36.791 38.000 -0.064 0.000 1.078 233 I HN 0.352 nan 8.210 nan 0.000 0.421 234 E N 0.931 121.123 120.200 -0.015 0.000 2.077 234 E HA -0.191 4.159 4.350 0.000 0.000 0.193 234 E C 2.034 178.771 176.600 0.229 0.000 0.989 234 E CA 1.958 58.413 56.400 0.091 0.000 0.800 234 E CB 0.186 29.955 29.700 0.116 0.000 0.746 234 E HN 0.391 nan 8.360 nan 0.000 0.452 235 T N -0.174 114.494 114.554 0.189 0.000 2.652 235 T HA -0.152 4.198 4.350 0.000 0.000 0.267 235 T C 1.771 176.583 174.700 0.187 0.000 1.039 235 T CA 1.344 63.572 62.100 0.212 0.000 1.153 235 T CB -0.753 68.192 68.868 0.128 0.000 0.863 235 T HN 0.407 nan 8.240 nan 0.000 0.428 236 G N 0.938 109.813 108.800 0.125 0.000 2.442 236 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 236 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 236 G C 1.705 176.673 174.900 0.113 0.000 1.141 236 G CA 1.475 46.652 45.100 0.129 0.000 0.763 236 G HN 0.467 nan 8.290 nan 0.000 0.554 237 T N 0.784 115.379 114.554 0.068 0.000 2.746 237 T HA -0.061 4.289 4.350 0.000 0.000 0.267 237 T C 2.038 176.658 174.700 -0.135 0.000 1.039 237 T CA 1.002 63.072 62.100 -0.051 0.000 1.142 237 T CB -0.331 68.491 68.868 -0.077 0.000 0.866 237 T HN 0.300 nan 8.240 nan 0.000 0.444 238 F N 0.766 120.770 119.950 0.090 0.000 2.259 238 F HA 0.130 4.657 4.527 0.000 0.000 0.298 238 F C 2.092 177.912 175.800 0.034 0.000 1.088 238 F CA 0.504 58.537 58.000 0.055 0.000 1.358 238 F CB -0.396 38.643 39.000 0.066 0.000 1.040 238 F HN 0.059 nan 8.300 nan 0.000 0.505 239 L N -0.820 120.526 121.223 0.204 0.000 2.083 239 L HA -0.194 4.146 4.340 0.000 0.000 0.209 239 L C 2.283 179.183 176.870 0.051 0.000 1.083 239 L CA 0.640 55.557 54.840 0.128 0.000 0.752 239 L CB -0.655 41.481 42.059 0.128 0.000 0.899 239 L HN -0.022 nan 8.230 nan 0.000 0.433 240 V N -0.106 119.808 119.914 0.001 0.000 2.515 240 V HA -0.227 3.893 4.120 0.000 0.000 0.250 240 V C 2.715 178.764 176.094 -0.075 0.000 1.058 240 V CA 1.515 63.746 62.300 -0.114 0.000 1.064 240 V CB -0.611 31.095 31.823 -0.195 0.000 0.675 240 V HN 0.460 nan 8.190 nan 0.000 0.461 241 A N 0.153 122.960 122.820 -0.022 0.000 1.908 241 A HA -0.186 4.134 4.320 0.000 0.000 0.218 241 A C 2.407 180.001 177.584 0.017 0.000 1.181 241 A CA 2.317 54.355 52.037 0.002 0.000 0.627 241 A CB -0.704 18.343 19.000 0.077 0.000 0.818 241 A HN 0.568 nan 8.150 nan 0.000 0.445 242 A N -0.387 122.455 122.820 0.037 0.000 1.872 242 A HA 0.267 4.587 4.320 0.000 0.000 0.214 242 A C 2.518 180.096 177.584 -0.010 0.000 1.187 242 A CA 1.825 53.874 52.037 0.019 0.000 0.614 242 A CB -1.080 17.938 19.000 0.030 0.000 0.826 242 A HN 1.109 nan 8.150 nan 0.000 0.442 243 A N 0.641 123.447 122.820 -0.023 0.000 1.978 243 A HA -0.132 4.188 4.320 0.000 0.000 0.220 243 A C 2.027 179.583 177.584 -0.047 0.000 1.170 243 A CA 1.654 53.667 52.037 -0.040 0.000 0.636 243 A CB -0.828 18.131 19.000 -0.069 0.000 0.810 243 A HN 1.032 nan 8.150 nan 0.000 0.448 244 I N -2.854 117.682 120.570 -0.056 0.000 3.728 244 I HA 0.110 4.280 4.170 0.000 0.000 0.307 244 I C 1.329 177.430 176.117 -0.025 0.000 1.276 244 I CA 1.129 62.400 61.300 -0.048 0.000 1.285 244 I CB 0.209 38.172 38.000 -0.063 0.000 1.038 244 I HN 0.240 nan 8.210 nan 0.000 0.445 245 S N -0.112 115.578 115.700 -0.018 0.000 2.663 245 S HA 0.442 4.912 4.470 0.000 0.000 0.243 245 S C 1.485 176.082 174.600 -0.005 0.000 1.009 245 S CA 0.136 58.331 58.200 -0.009 0.000 0.988 245 S CB 0.211 63.409 63.200 -0.004 0.000 0.896 245 S HN 0.713 nan 8.310 nan 0.000 0.502 246 G N 0.583 109.379 108.800 -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 0.585 175.478 174.900 -0.011 0.000 0.989 246 G CA 0.195 45.294 45.100 -0.003 0.000 0.692 246 G HN 1.103 nan 8.290 nan 0.000 0.526 247 G N -1.011 107.780 108.800 -0.015 0.000 2.525 247 G HA2 0.596 4.556 3.960 0.000 0.000 0.287 247 G HA3 0.596 4.556 3.960 0.000 0.000 0.287 247 G C -0.171 174.705 174.900 -0.040 0.000 1.350 247 G CA 0.083 45.172 45.100 -0.019 0.000 1.039 247 G HN 0.529 nan 8.290 nan 0.000 0.513 248 K N -0.973 119.406 120.400 -0.034 0.000 2.422 248 K HA 0.665 4.985 4.320 0.000 0.000 0.251 248 K C -1.743 174.847 176.600 -0.016 0.000 0.933 248 K CA -0.712 55.549 56.287 -0.044 0.000 0.798 248 K CB 2.283 34.748 32.500 -0.059 0.000 1.238 248 K HN 0.449 nan 8.250 nan 0.000 0.428 249 I N 2.278 122.849 120.570 0.001 0.000 3.004 249 I HA 0.395 4.565 4.170 0.000 0.000 0.305 249 I C -1.847 174.291 176.117 0.035 0.000 1.312 249 I CA -0.914 60.393 61.300 0.013 0.000 0.992 249 I CB 2.388 40.410 38.000 0.037 0.000 1.282 249 I HN 0.366 nan 8.210 nan 0.000 0.449 250 V N 5.044 124.969 119.914 0.020 0.000 2.525 250 V HA 0.368 4.488 4.120 0.000 0.000 0.299 250 V C -0.740 175.385 176.094 0.052 0.000 1.034 250 V CA -0.566 61.768 62.300 0.055 0.000 0.863 250 V CB 1.465 33.273 31.823 -0.025 0.000 0.999 250 V HN 0.783 nan 8.190 nan 0.000 0.423 251 C N 6.082 125.454 119.300 0.120 0.000 2.273 251 C HA 0.628 5.088 4.460 0.000 0.000 0.328 251 C C 0.528 175.599 174.990 0.134 0.000 1.275 251 C CA -1.072 58.000 59.018 0.090 0.000 1.704 251 C CB 0.055 27.866 27.740 0.118 0.000 2.326 251 C HN 0.737 nan 8.230 nan 0.000 0.517 252 R N 2.346 122.890 120.500 0.073 0.000 2.573 252 R HA 0.285 4.625 4.340 0.000 0.000 0.272 252 R C 0.266 176.611 176.300 0.075 0.000 1.009 252 R CA -0.386 55.769 56.100 0.093 0.000 1.059 252 R CB 0.280 30.600 30.300 0.032 0.000 1.112 252 R HN 0.786 nan 8.270 nan 0.000 0.517 253 N N -1.276 117.475 118.700 0.084 0.000 2.754 253 N HA -0.189 4.551 4.740 0.000 0.000 0.248 253 N C -1.104 174.436 175.510 0.049 0.000 1.093 253 N CA 1.167 54.249 53.050 0.052 0.000 0.699 253 N CB -0.935 37.569 38.487 0.028 0.000 1.016 253 N HN 0.748 nan 8.380 nan 0.000 0.552 254 A N -0.207 122.652 122.820 0.066 0.000 2.269 254 A HA 0.718 5.038 4.320 0.000 0.000 0.327 254 A C 0.191 177.781 177.584 0.010 0.000 1.112 254 A CA -0.387 51.677 52.037 0.046 0.000 0.865 254 A CB 1.134 20.174 19.000 0.066 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.501 120.300 119.800 -0.003 0.000 2.932 255 Q HA 0.305 4.645 4.340 0.000 0.000 0.248 255 Q C -2.255 173.730 176.000 -0.027 0.000 0.982 255 Q CA -1.782 54.008 55.803 -0.022 0.000 0.730 255 Q CB 1.194 29.923 28.738 -0.015 0.000 1.249 255 Q HN 0.442 nan 8.270 nan 0.000 0.476 256 P HA -0.246 nan 4.420 nan 0.000 0.218 256 P C 0.636 177.919 177.300 -0.028 0.000 1.154 256 P CA 1.776 64.840 63.100 -0.060 0.000 0.872 256 P CB 0.179 31.801 31.700 -0.130 0.000 0.790 257 D N -1.373 119.012 120.400 -0.024 0.000 2.384 257 D HA -0.121 4.519 4.640 0.000 0.000 0.222 257 D C 1.174 177.502 176.300 0.047 0.000 0.976 257 D CA 1.521 55.523 54.000 0.003 0.000 0.915 257 D CB -1.549 39.252 40.800 0.002 0.000 0.896 257 D HN 0.256 nan 8.370 nan 0.000 0.523 258 T N -2.669 111.911 114.554 0.043 0.000 3.107 258 T HA 0.220 4.570 4.350 0.000 0.000 0.249 258 T C 1.209 175.970 174.700 0.101 0.000 1.096 258 T CA -0.280 61.867 62.100 0.079 0.000 1.012 258 T CB -0.302 68.564 68.868 -0.003 0.000 0.977 258 T HN 0.201 nan 8.240 nan 0.000 0.527 259 L N 0.561 121.819 121.223 0.058 0.000 3.267 259 L HA 0.364 4.704 4.340 0.000 0.000 0.289 259 L C 0.853 177.737 176.870 0.023 0.000 1.260 259 L CA -0.323 54.539 54.840 0.036 0.000 1.034 259 L CB 0.512 42.588 42.059 0.029 0.000 1.413 259 L HN -0.009 nan 8.230 nan 0.000 0.594 260 D N 1.627 122.038 120.400 0.018 0.000 2.126 260 D HA -0.242 4.398 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 1.839 55.841 54.000 0.004 0.000 0.841 260 D CB 0.189 40.979 40.800 -0.016 0.000 0.949 260 D HN 0.405 nan 8.370 nan 0.000 0.446 261 A N 0.761 123.575 122.820 -0.009 0.000 1.883 261 A HA -0.163 4.157 4.320 0.000 0.000 0.217 261 A C 2.638 180.248 177.584 0.043 0.000 1.186 261 A CA 1.662 53.707 52.037 0.014 0.000 0.624 261 A CB -0.877 18.122 19.000 -0.002 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.231 120.131 119.914 -0.023 0.000 2.295 262 V HA -0.258 3.862 4.120 0.000 0.000 0.246 262 V C 2.577 178.769 176.094 0.164 0.000 1.049 262 V CA 1.977 64.290 62.300 0.022 0.000 1.024 262 V CB -0.780 31.033 31.823 -0.017 0.000 0.648 262 V HN 0.568 nan 8.190 nan 0.000 0.447 263 L N 0.021 121.310 121.223 0.109 0.000 2.083 263 L HA -0.149 4.191 4.340 0.000 0.000 0.209 263 L C 2.731 179.671 176.870 0.115 0.000 1.083 263 L CA 1.490 56.399 54.840 0.114 0.000 0.752 263 L CB -0.865 41.233 42.059 0.066 0.000 0.899 263 L HN 0.374 nan 8.230 nan 0.000 0.433 264 A N -0.005 122.870 122.820 0.092 0.000 1.902 264 A HA -0.223 4.097 4.320 0.000 0.000 0.217 264 A C 2.300 179.952 177.584 0.112 0.000 1.181 264 A CA 1.709 53.794 52.037 0.081 0.000 0.623 264 A CB -0.323 18.710 19.000 0.055 0.000 0.818 264 A HN 0.155 nan 8.150 nan 0.000 0.443 265 K N -0.172 120.318 120.400 0.150 0.000 2.097 265 K HA 0.094 4.414 4.320 0.000 0.000 0.205 265 K C 1.762 178.546 176.600 0.306 0.000 1.050 265 K CA 0.955 57.361 56.287 0.198 0.000 0.938 265 K CB -0.488 32.098 32.500 0.144 0.000 0.718 265 K HN 0.507 nan 8.250 nan 0.000 0.442 266 L N 0.063 121.490 121.223 0.340 0.000 2.083 266 L HA -0.166 4.174 4.340 0.000 0.000 0.209 266 L C 2.327 179.292 176.870 0.158 0.000 1.083 266 L CA 1.248 56.247 54.840 0.265 0.000 0.752 266 L CB -0.274 41.921 42.059 0.226 0.000 0.899 266 L HN 0.158 nan 8.230 nan 0.000 0.433 267 R N -0.013 120.567 120.500 0.134 0.000 2.081 267 R HA -0.170 4.170 4.340 0.000 0.000 0.235 267 R C 2.092 178.447 176.300 0.092 0.000 1.131 267 R CA 1.253 57.412 56.100 0.098 0.000 0.960 267 R CB -0.268 30.081 30.300 0.082 0.000 0.856 267 R HN 0.439 nan 8.270 nan 0.000 0.436 268 E N 0.357 120.617 120.200 0.100 0.000 2.204 268 E HA -0.144 4.206 4.350 0.000 0.000 0.195 268 E C 1.642 178.293 176.600 0.085 0.000 0.990 268 E CA 1.038 57.488 56.400 0.083 0.000 0.821 268 E CB 0.025 29.774 29.700 0.081 0.000 0.750 268 E HN 0.340 nan 8.360 nan 0.000 0.477 269 A N -0.279 122.606 122.820 0.107 0.000 2.208 269 A HA 0.207 4.527 4.320 0.000 0.000 0.209 269 A C 1.635 179.258 177.584 0.065 0.000 1.161 269 A CA 0.932 53.022 52.037 0.087 0.000 0.782 269 A CB -0.034 19.023 19.000 0.095 0.000 0.816 269 A HN 0.345 nan 8.150 nan 0.000 0.477 270 G N -2.414 106.429 108.800 0.071 0.000 2.168 270 G HA2 0.172 4.132 3.960 0.000 0.000 0.197 270 G HA3 0.172 4.132 3.960 0.000 0.000 0.197 270 G C 0.323 175.269 174.900 0.077 0.000 0.997 270 G CA 0.081 45.222 45.100 0.069 0.000 0.658 270 G HN 1.462 nan 8.290 nan 0.000 0.513 271 A N 0.141 123.004 122.820 0.072 0.000 2.388 271 A HA 0.576 4.896 4.320 0.000 0.000 0.257 271 A C 0.117 177.747 177.584 0.077 0.000 1.095 271 A CA 0.540 52.613 52.037 0.061 0.000 0.791 271 A CB 0.601 19.634 19.000 0.055 0.000 1.029 271 A HN 0.542 nan 8.150 nan 0.000 0.489 272 D N 2.045 122.485 120.400 0.067 0.000 2.428 272 D HA 0.458 5.098 4.640 0.000 0.000 0.221 272 D C -0.571 175.775 176.300 0.077 0.000 1.123 272 D CA 0.079 54.142 54.000 0.105 0.000 0.869 272 D CB -0.059 40.861 40.800 0.200 0.000 1.032 272 D HN 0.351 nan 8.370 nan 0.000 0.506 273 I N 2.639 123.260 120.570 0.085 0.000 2.441 273 I HA 0.433 4.603 4.170 0.000 0.000 0.295 273 I C 0.194 176.363 176.117 0.088 0.000 0.994 273 I CA -0.829 60.523 61.300 0.086 0.000 1.144 273 I CB 1.897 39.942 38.000 0.074 0.000 1.314 273 I HN 0.271 nan 8.210 nan 0.000 0.445 274 E N 2.607 122.876 120.200 0.114 0.000 2.356 274 E HA 0.539 4.889 4.350 0.000 0.000 0.275 274 E C -1.179 175.403 176.600 -0.030 0.000 0.904 274 E CA -0.624 55.834 56.400 0.096 0.000 0.757 274 E CB 2.666 32.492 29.700 0.210 0.000 1.232 274 E HN 0.697 nan 8.360 nan 0.000 0.442 275 T N -1.108 113.268 114.554 -0.295 0.000 2.916 275 T HA 0.871 5.221 4.350 0.000 0.000 0.292 275 T C 0.174 174.151 174.700 -1.204 0.000 1.055 275 T CA -0.679 60.980 62.100 -0.736 0.000 1.009 275 T CB 1.879 70.512 68.868 -0.393 0.000 1.118 275 T HN 0.469 nan 8.240 nan 0.000 0.497 276 G N -0.167 107.552 108.800 -1.802 0.000 3.251 276 G HA2 0.493 4.453 3.960 0.000 0.000 0.248 276 G HA3 0.493 4.453 3.960 0.000 0.000 0.248 276 G C 0.251 174.742 174.900 -0.682 0.000 1.320 276 G CA -0.481 43.801 45.100 -1.363 0.000 0.982 276 G HN 0.708 nan 8.290 nan 0.000 0.575 277 E N -0.366 119.647 120.200 -0.311 0.000 2.077 277 E HA -0.085 4.265 4.350 0.000 0.000 0.193 277 E C 0.910 177.436 176.600 -0.123 0.000 0.989 277 E CA 2.048 58.366 56.400 -0.136 0.000 0.800 277 E CB 0.165 29.859 29.700 -0.009 0.000 0.746 277 E HN 0.472 nan 8.360 nan 0.000 0.452 278 D N -1.223 119.129 120.400 -0.079 0.000 2.785 278 D HA 0.067 4.707 4.640 0.000 0.000 0.324 278 D C -0.518 175.856 176.300 0.123 0.000 1.523 278 D CA -0.572 53.438 54.000 0.016 0.000 0.789 278 D CB -0.884 39.964 40.800 0.080 0.000 1.171 278 D HN 0.301 nan 8.370 nan 0.000 0.447 279 W N -0.110 121.194 121.300 0.007 0.000 3.137 279 W HA 0.677 5.337 4.660 0.000 0.000 0.324 279 W C -2.095 174.433 176.519 0.015 0.000 1.253 279 W CA -1.282 56.068 57.345 0.008 0.000 1.183 279 W CB 0.475 29.935 29.460 0.002 0.000 1.424 279 W HN -0.284 nan 8.180 nan 0.000 0.566 280 I N 2.895 123.666 120.570 0.336 0.000 2.619 280 I HA 0.345 4.515 4.170 0.000 0.000 0.292 280 I C -0.251 176.095 176.117 0.383 0.000 1.100 280 I CA -0.752 60.672 61.300 0.206 0.000 1.043 280 I CB 2.604 40.655 38.000 0.085 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.820 122.753 115.700 0.387 0.000 2.500 281 S HA 0.827 5.297 4.470 0.000 0.000 0.301 281 S C -1.069 173.627 174.600 0.160 0.000 1.092 281 S CA -0.728 57.638 58.200 0.277 0.000 1.030 281 S CB 2.228 65.615 63.200 0.312 0.000 1.031 281 S HN 0.645 nan 8.310 nan 0.000 0.483 282 L N 2.311 123.590 121.223 0.092 0.000 2.410 282 L HA 0.686 5.026 4.340 0.000 0.000 0.270 282 L C -1.886 174.970 176.870 -0.024 0.000 0.983 282 L CA -0.306 54.561 54.840 0.045 0.000 0.822 282 L CB 1.874 43.966 42.059 0.055 0.000 1.285 282 L HN 0.835 nan 8.230 nan 0.000 0.409 283 D N 4.869 125.208 120.400 -0.102 0.000 2.696 283 D HA 0.280 4.920 4.640 0.000 0.000 0.251 283 D C 0.218 176.307 176.300 -0.351 0.000 1.188 283 D CA -0.423 53.409 54.000 -0.280 0.000 0.876 283 D CB 1.927 42.446 40.800 -0.467 0.000 1.334 283 D HN 0.491 nan 8.370 nan 0.000 0.540 284 M N 1.603 121.064 119.600 -0.232 0.000 2.509 284 M HA 0.025 4.505 4.480 0.000 0.000 0.250 284 M C 0.126 176.405 176.300 -0.037 0.000 1.132 284 M CA 0.274 55.512 55.300 -0.103 0.000 1.080 284 M CB -0.654 31.926 32.600 -0.034 0.000 1.408 284 M HN 0.489 nan 8.290 nan 0.000 0.484 285 H N 0.072 119.155 119.070 0.022 0.000 2.770 285 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 285 H C 1.309 176.646 175.328 0.015 0.000 1.206 285 H CA 0.901 56.960 56.048 0.018 0.000 1.147 285 H CB -2.253 27.520 29.762 0.020 0.000 1.422 285 H HN 0.639 nan 8.280 nan 0.000 0.420 286 G N -0.494 108.348 108.800 0.070 0.000 2.180 286 G HA2 -0.355 3.605 3.960 0.000 0.000 0.263 286 G HA3 -0.355 3.605 3.960 0.000 0.000 0.263 286 G C 0.368 175.297 174.900 0.048 0.000 0.989 286 G CA 0.939 46.069 45.100 0.049 0.000 0.692 286 G HN 0.393 nan 8.290 nan 0.000 0.526 287 K N 0.113 120.548 120.400 0.059 0.000 2.118 287 K HA 0.419 4.739 4.320 0.000 0.000 0.267 287 K C 0.698 177.317 176.600 0.031 0.000 0.991 287 K CA -0.931 55.386 56.287 0.050 0.000 0.916 287 K CB 1.239 33.781 32.500 0.069 0.000 1.041 287 K HN 0.427 nan 8.250 nan 0.000 0.455 288 R N 3.216 123.731 120.500 0.026 0.000 2.543 288 R HA 0.130 4.470 4.340 0.000 0.000 0.277 288 R C -1.967 174.345 176.300 0.019 0.000 1.074 288 R CA -1.026 55.084 56.100 0.018 0.000 1.076 288 R CB 0.319 30.630 30.300 0.018 0.000 0.993 288 R HN 0.360 nan 8.270 nan 0.000 0.459 289 P HA 0.078 nan 4.420 nan 0.000 0.272 289 P C -1.258 176.054 177.300 0.021 0.000 1.223 289 P CA -0.116 62.991 63.100 0.013 0.000 0.784 289 P CB 0.770 32.464 31.700 -0.010 0.000 0.923 290 K N 1.062 121.481 120.400 0.031 0.000 2.172 290 K HA 0.480 4.800 4.320 0.000 0.000 0.276 290 K C 0.267 176.889 176.600 0.038 0.000 1.013 290 K CA -0.623 55.684 56.287 0.034 0.000 0.913 290 K CB 1.320 33.843 32.500 0.038 0.000 1.055 290 K HN 0.555 nan 8.250 nan 0.000 0.461 291 A N 2.210 125.048 122.820 0.031 0.000 2.531 291 A HA 0.277 4.597 4.320 0.000 0.000 0.236 291 A C 0.357 177.964 177.584 0.038 0.000 1.062 291 A CA -0.257 51.798 52.037 0.030 0.000 0.760 291 A CB -0.049 18.960 19.000 0.016 0.000 0.995 291 A HN 0.546 nan 8.150 nan 0.000 0.501 292 V N -0.370 119.573 119.914 0.049 0.000 3.074 292 V HA 0.877 4.997 4.120 0.000 0.000 0.314 292 V C -0.112 175.982 176.094 0.000 0.000 1.117 292 V CA -0.598 61.729 62.300 0.045 0.000 1.014 292 V CB 1.777 33.663 31.823 0.104 0.000 1.057 292 V HN 0.770 nan 8.190 nan 0.000 0.438 293 T N 1.909 116.444 114.554 -0.032 0.000 2.779 293 T HA 0.732 5.082 4.350 0.000 0.000 0.280 293 T C -0.570 174.043 174.700 -0.145 0.000 0.987 293 T CA -0.261 61.796 62.100 -0.071 0.000 0.966 293 T CB 1.280 70.118 68.868 -0.050 0.000 0.933 293 T HN 0.748 nan 8.240 nan 0.000 0.442 294 V N 3.626 123.411 119.914 -0.216 0.000 2.823 294 V HA 0.692 4.812 4.120 0.000 0.000 0.312 294 V C -0.222 175.710 176.094 -0.270 0.000 1.072 294 V CA -1.057 61.001 62.300 -0.404 0.000 0.937 294 V CB 2.272 33.611 31.823 -0.807 0.000 1.013 294 V HN 0.770 nan 8.190 nan 0.000 0.430 295 R N 2.074 122.427 120.500 -0.246 0.000 2.539 295 R HA 0.434 4.774 4.340 0.000 0.000 0.295 295 R C -0.235 176.050 176.300 -0.025 0.000 1.138 295 R CA -0.273 55.770 56.100 -0.095 0.000 0.936 295 R CB 1.554 31.823 30.300 -0.052 0.000 1.182 295 R HN 0.946 nan 8.270 nan 0.000 0.459 296 T N 1.067 115.647 114.554 0.044 0.000 2.900 296 T HA 0.642 4.992 4.350 0.000 0.000 0.307 296 T C 0.262 175.012 174.700 0.085 0.000 1.065 296 T CA 0.061 62.263 62.100 0.169 0.000 1.105 296 T CB 1.523 70.505 68.868 0.190 0.000 0.979 296 T HN 0.721 nan 8.240 nan 0.000 0.544 297 A N 2.521 125.392 122.820 0.086 0.000 2.544 297 A HA 0.706 5.026 4.320 0.000 0.000 0.291 297 A C -3.149 174.454 177.584 0.032 0.000 1.055 297 A CA -1.658 50.397 52.037 0.030 0.000 0.651 297 A CB 0.111 19.122 19.000 0.018 0.000 1.296 297 A HN 0.659 nan 8.150 nan 0.000 0.431 298 P HA 0.254 nan 4.420 nan 0.000 0.269 298 P C -0.338 176.998 177.300 0.060 0.000 1.217 298 P CA 0.345 63.466 63.100 0.034 0.000 0.783 298 P CB 0.158 31.867 31.700 0.016 0.000 0.898 299 H N 3.618 122.683 119.070 -0.007 0.000 2.948 299 H HA 0.027 4.583 4.556 -0.000 0.000 0.351 299 H C -1.212 174.112 175.328 -0.006 0.000 1.079 299 H CA -0.737 55.304 56.048 -0.011 0.000 1.407 299 H CB 0.214 29.970 29.762 -0.010 0.000 1.373 299 H HN 0.315 nan 8.280 nan 0.000 0.605 300 P HA 0.120 nan 4.420 nan 0.000 0.255 300 P C -0.376 176.704 177.300 -0.366 0.000 1.357 300 P CA 0.198 62.703 63.100 -0.992 0.000 0.839 300 P CB -0.095 31.184 31.700 -0.702 0.000 1.356 301 A N 0.483 123.210 122.820 -0.156 0.000 2.262 301 A HA 0.253 4.573 4.320 0.000 0.000 0.273 301 A C -0.219 177.381 177.584 0.026 0.000 1.202 301 A CA -0.561 51.456 52.037 -0.034 0.000 0.811 301 A CB -0.546 18.458 19.000 0.007 0.000 1.159 301 A HN 0.178 nan 8.150 nan 0.000 0.505 302 F N 1.830 121.736 119.950 -0.072 0.000 2.571 302 F HA 0.283 4.810 4.527 -0.000 0.000 0.384 302 F C -1.645 174.132 175.800 -0.038 0.000 1.058 302 F CA -1.543 56.404 58.000 -0.089 0.000 1.200 302 F CB 0.596 39.507 39.000 -0.149 0.000 1.077 302 F HN 0.259 nan 8.300 nan 0.000 0.558 303 P HA -0.023 nan 4.420 nan 0.000 0.276 303 P C 0.288 177.573 177.300 -0.025 0.000 1.230 303 P CA -0.060 62.949 63.100 -0.151 0.000 0.776 303 P CB 1.554 33.137 31.700 -0.194 0.000 0.888 304 T N 2.080 116.712 114.554 0.129 0.000 2.881 304 T HA -0.127 4.223 4.350 0.000 0.000 0.270 304 T C 1.723 176.531 174.700 0.180 0.000 1.068 304 T CA 1.569 63.801 62.100 0.220 0.000 1.131 304 T CB -0.602 68.420 68.868 0.258 0.000 0.871 304 T HN 0.442 nan 8.240 nan 0.000 0.479 305 A N 0.590 123.471 122.820 0.102 0.000 2.216 305 A HA 0.163 4.483 4.320 0.000 0.000 0.214 305 A C 2.027 179.643 177.584 0.054 0.000 1.160 305 A CA 0.896 52.970 52.037 0.062 0.000 0.725 305 A CB -0.341 18.675 19.000 0.028 0.000 0.784 305 A HN 0.510 nan 8.150 nan 0.000 0.472 306 M N -1.207 118.419 119.600 0.044 0.000 2.313 306 M HA 0.088 4.568 4.480 0.000 0.000 0.273 306 M C 1.797 178.343 176.300 0.411 0.000 1.049 306 M CA 0.317 55.689 55.300 0.119 0.000 1.004 306 M CB -0.065 32.437 32.600 -0.165 0.000 1.461 306 M HN 0.601 nan 8.290 nan 0.000 0.514 307 Q N 1.054 121.109 119.800 0.425 0.000 2.061 307 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 307 Q C 1.742 177.920 176.000 0.297 0.000 0.984 307 Q CA 2.206 58.285 55.803 0.460 0.000 0.846 307 Q CB 0.060 29.028 28.738 0.383 0.000 0.902 307 Q HN 0.459 nan 8.270 nan 0.000 0.421 308 A N 0.621 123.477 122.820 0.061 0.000 1.877 308 A HA -0.255 4.065 4.320 0.000 0.000 0.216 308 A C 2.016 179.542 177.584 -0.096 0.000 1.186 308 A CA 1.840 53.658 52.037 -0.365 0.000 0.620 308 A CB -0.589 18.036 19.000 -0.626 0.000 0.822 308 A HN 0.489 nan 8.150 nan 0.000 0.443 309 Q N -1.200 118.625 119.800 0.042 0.000 2.096 309 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 309 Q C 1.633 177.683 176.000 0.083 0.000 0.982 309 Q CA 1.708 57.542 55.803 0.052 0.000 0.850 309 Q CB -0.464 28.323 28.738 0.082 0.000 0.901 309 Q HN 0.690 nan 8.270 nan 0.000 0.422 310 F N -0.056 119.972 119.950 0.131 0.000 2.407 310 F HA -0.076 4.451 4.527 0.000 0.000 0.299 310 F C 2.092 177.935 175.800 0.071 0.000 1.097 310 F CA 1.028 59.105 58.000 0.128 0.000 1.422 310 F CB -0.221 38.898 39.000 0.198 0.000 1.067 310 F HN 0.016 nan 8.300 nan 0.000 0.539 311 T N 0.503 115.201 114.554 0.240 0.000 2.746 311 T HA -0.188 4.162 4.350 0.000 0.000 0.267 311 T C 2.027 176.786 174.700 0.098 0.000 1.039 311 T CA 1.289 63.495 62.100 0.177 0.000 1.142 311 T CB -0.503 68.566 68.868 0.334 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.415 122.685 121.223 0.078 0.000 1.989 312 L HA 0.032 4.372 4.340 0.000 0.000 0.211 312 L C 2.244 179.105 176.870 -0.015 0.000 1.071 312 L CA 1.569 56.424 54.840 0.025 0.000 0.749 312 L CB -1.003 41.052 42.059 -0.007 0.000 0.890 312 L HN 0.267 nan 8.230 nan 0.000 0.431 313 L N -0.307 120.878 121.223 -0.064 0.000 2.013 313 L HA -0.304 4.036 4.340 0.000 0.000 0.212 313 L C 2.266 179.116 176.870 -0.035 0.000 1.073 313 L CA 2.001 56.779 54.840 -0.103 0.000 0.753 313 L CB -0.573 41.325 42.059 -0.268 0.000 0.890 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.082 118.620 118.700 0.003 0.000 2.166 314 N HA -0.149 4.591 4.740 0.000 0.000 0.186 314 N C 1.825 177.337 175.510 0.003 0.000 1.019 314 N CA 1.357 54.414 53.050 0.011 0.000 0.856 314 N CB -0.367 38.128 38.487 0.013 0.000 0.993 314 N HN 0.385 nan 8.380 nan 0.000 0.426 315 L N 0.449 121.675 121.223 0.005 0.000 2.362 315 L HA -0.051 4.289 4.340 0.000 0.000 0.219 315 L C 1.355 178.242 176.870 0.029 0.000 1.134 315 L CA 0.606 55.455 54.840 0.015 0.000 0.807 315 L CB -0.056 42.009 42.059 0.009 0.000 0.927 315 L HN 0.085 nan 8.230 nan 0.000 0.447 316 V N -4.779 115.144 119.914 0.015 0.000 3.159 316 V HA 0.544 4.664 4.120 0.000 0.000 0.333 316 V C 0.622 176.725 176.094 0.014 0.000 1.424 316 V CA -0.294 62.016 62.300 0.017 0.000 1.125 316 V CB -0.218 31.608 31.823 0.004 0.000 1.075 316 V HN 0.094 nan 8.190 nan 0.000 0.482 317 A N 0.632 123.462 122.820 0.015 0.000 2.256 317 A HA 0.783 5.103 4.320 0.000 0.000 0.318 317 A C -0.083 177.515 177.584 0.024 0.000 1.103 317 A CA -0.498 51.548 52.037 0.015 0.000 0.860 317 A CB 1.119 20.127 19.000 0.013 0.000 1.182 317 A HN 0.445 nan 8.150 nan 0.000 0.501 318 E N -0.028 120.185 120.200 0.023 0.000 2.105 318 E HA 0.491 4.841 4.350 0.000 0.000 0.285 318 E C 0.385 177.000 176.600 0.025 0.000 1.055 318 E CA 1.208 57.622 56.400 0.024 0.000 0.843 318 E CB -0.109 29.604 29.700 0.021 0.000 1.067 318 E HN 1.631 nan 8.360 nan 0.000 0.398 319 G N 2.720 111.538 108.800 0.030 0.000 2.373 319 G HA2 -0.097 3.863 3.960 0.000 0.000 0.634 319 G HA3 -0.097 3.863 3.960 0.000 0.000 0.634 319 G C -0.763 174.161 174.900 0.040 0.000 1.267 319 G CA -0.502 44.618 45.100 0.033 0.000 1.008 319 G HN 0.482 nan 8.290 nan 0.000 0.497 320 T N 1.193 115.769 114.554 0.037 0.000 2.753 320 T HA 0.629 4.979 4.350 0.000 0.000 0.297 320 T C 0.690 175.372 174.700 -0.031 0.000 0.981 320 T CA 0.549 62.656 62.100 0.013 0.000 0.956 320 T CB 1.081 69.985 68.868 0.059 0.000 0.936 320 T HN 1.377 nan 8.240 nan 0.000 0.463 321 G N 1.830 110.590 108.800 -0.066 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 -0.973 173.871 174.900 -0.093 0.000 1.127 321 G CA -0.481 44.586 45.100 -0.055 0.000 0.885 321 G HN 0.623 nan 8.290 nan 0.000 0.477 322 V N 2.868 122.738 119.914 -0.073 0.000 2.444 322 V HA 0.443 4.563 4.120 0.000 0.000 0.294 322 V C -0.269 175.781 176.094 -0.073 0.000 1.022 322 V CA -0.540 61.711 62.300 -0.082 0.000 0.850 322 V CB 1.426 33.213 31.823 -0.061 0.000 0.992 322 V HN 0.622 nan 8.190 nan 0.000 0.426 323 I N 3.560 124.089 120.570 -0.068 0.000 2.406 323 I HA 0.489 4.659 4.170 0.000 0.000 0.290 323 I C -0.154 176.009 176.117 0.077 0.000 0.999 323 I CA -0.198 61.084 61.300 -0.030 0.000 1.124 323 I CB 2.220 40.222 38.000 0.002 0.000 1.289 323 I HN 0.497 nan 8.210 nan 0.000 0.441 324 T N 4.269 118.865 114.554 0.070 0.000 2.791 324 T HA 0.253 4.603 4.350 0.000 0.000 0.288 324 T C -0.433 174.336 174.700 0.116 0.000 0.999 324 T CA -0.468 61.707 62.100 0.125 0.000 0.952 324 T CB 1.287 70.184 68.868 0.047 0.000 0.938 324 T HN 0.444 nan 8.240 nan 0.000 0.444 325 E N 2.170 122.458 120.200 0.148 0.000 2.146 325 E HA 0.366 4.716 4.350 0.000 0.000 0.282 325 E C 0.902 177.486 176.600 -0.027 0.000 0.989 325 E CA -0.516 55.905 56.400 0.036 0.000 0.799 325 E CB 0.740 30.363 29.700 -0.129 0.000 1.088 325 E HN 0.641 nan 8.360 nan 0.000 0.397 326 T N 2.118 116.659 114.554 -0.022 0.000 3.044 326 T HA 0.199 4.549 4.350 0.000 0.000 0.260 326 T C 1.070 175.700 174.700 -0.115 0.000 1.019 326 T CA -0.180 61.887 62.100 -0.056 0.000 0.921 326 T CB -0.011 68.834 68.868 -0.039 0.000 1.053 326 T HN 0.401 nan 8.240 nan 0.000 0.533 327 I N -0.179 120.300 120.570 -0.153 0.000 2.729 327 I HA 0.406 4.576 4.170 0.000 0.000 0.256 327 I C 0.061 175.820 176.117 -0.597 0.000 1.115 327 I CA 0.006 61.077 61.300 -0.382 0.000 1.446 327 I CB -0.557 37.185 38.000 -0.430 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 2.408 122.318 119.950 -0.067 0.000 2.467 328 F HA 0.244 4.771 4.527 0.000 0.000 0.336 328 F C 1.583 177.303 175.800 -0.134 0.000 1.123 328 F CA -0.802 57.147 58.000 -0.084 0.000 0.964 328 F CB 1.247 40.203 39.000 -0.072 0.000 1.136 328 F HN -0.002 nan 8.300 nan 0.000 0.447 329 E N 0.867 121.105 120.200 0.062 0.000 2.333 329 E HA -0.222 4.128 4.350 0.000 0.000 0.198 329 E C 0.013 176.572 176.600 -0.068 0.000 1.007 329 E CA 1.153 57.538 56.400 -0.025 0.000 0.845 329 E CB -0.197 29.499 29.700 -0.007 0.000 0.766 329 E HN 0.564 nan 8.360 nan 0.000 0.507 330 N N 0.120 118.795 118.700 -0.042 0.000 2.703 330 N HA 0.128 4.868 4.740 0.000 0.000 0.283 330 N C -0.816 174.648 175.510 -0.076 0.000 1.851 330 N CA -0.292 52.717 53.050 -0.069 0.000 0.826 330 N CB 0.449 38.923 38.487 -0.022 0.000 1.239 330 N HN -0.039 nan 8.380 nan 0.000 0.495 331 R N 0.891 121.288 120.500 -0.172 0.000 2.865 331 R HA 0.335 4.675 4.340 0.000 0.000 0.370 331 R C -0.549 175.841 176.300 0.150 0.000 1.168 331 R CA -0.024 56.049 56.100 -0.045 0.000 1.058 331 R CB -0.186 30.112 30.300 -0.003 0.000 1.419 331 R HN 0.340 nan 8.270 nan 0.000 0.580 332 F N -0.338 119.658 119.950 0.076 0.000 2.775 332 F HA 0.157 4.684 4.527 -0.000 0.000 0.313 332 F C 1.333 176.999 175.800 -0.225 0.000 1.121 332 F CA -0.490 57.444 58.000 -0.110 0.000 1.206 332 F CB 0.682 39.618 39.000 -0.106 0.000 1.052 332 F HN 0.082 nan 8.300 nan 0.000 0.524 333 M N 0.263 119.948 119.600 0.141 0.000 2.358 333 M HA -0.201 4.279 4.480 0.000 0.000 0.264 333 M C 2.381 178.701 176.300 0.033 0.000 1.064 333 M CA 1.394 56.731 55.300 0.062 0.000 1.093 333 M CB -0.596 32.035 32.600 0.052 0.000 1.401 333 M HN 0.321 nan 8.290 nan 0.000 0.440 334 H N -1.167 117.927 119.070 0.041 0.000 2.462 334 H HA 0.049 4.605 4.556 0.000 0.000 0.292 334 H C 2.062 177.391 175.328 0.003 0.000 1.049 334 H CA 1.010 57.064 56.048 0.010 0.000 1.334 334 H CB -1.217 28.554 29.762 0.015 0.000 1.404 334 H HN 0.223 nan 8.280 nan 0.000 0.544 335 V N 2.516 122.146 119.914 -0.475 0.000 2.252 335 V HA -0.192 3.928 4.120 0.000 0.000 0.249 335 V C -0.258 175.752 176.094 -0.142 0.000 1.056 335 V CA 2.405 64.518 62.300 -0.312 0.000 1.022 335 V CB -1.409 30.184 31.823 -0.383 0.000 0.641 335 V HN 0.410 nan 8.190 nan 0.000 0.445 336 P HA -0.113 nan 4.420 nan 0.000 0.218 336 P C 1.551 178.825 177.300 -0.044 0.000 1.148 336 P CA 1.136 64.201 63.100 -0.059 0.000 0.822 336 P CB -0.009 31.668 31.700 -0.038 0.000 0.784 337 E N -0.406 119.776 120.200 -0.031 0.000 2.072 337 E HA -0.065 4.285 4.350 0.000 0.000 0.190 337 E C 2.124 178.713 176.600 -0.019 0.000 0.982 337 E CA 0.931 57.322 56.400 -0.015 0.000 0.803 337 E CB -0.966 28.736 29.700 0.004 0.000 0.755 337 E HN 0.311 nan 8.360 nan 0.000 0.453 338 L N 0.590 121.802 121.223 -0.017 0.000 2.131 338 L HA -0.107 4.233 4.340 0.000 0.000 0.210 338 L C 2.484 179.322 176.870 -0.052 0.000 1.092 338 L CA 0.638 55.465 54.840 -0.020 0.000 0.759 338 L CB -0.341 41.717 42.059 -0.002 0.000 0.903 338 L HN 0.076 nan 8.230 nan 0.000 0.435 339 I N -0.524 120.005 120.570 -0.068 0.000 2.361 339 I HA -0.275 3.895 4.170 0.000 0.000 0.251 339 I C 2.641 178.704 176.117 -0.089 0.000 1.133 339 I CA 1.096 62.338 61.300 -0.096 0.000 1.413 339 I CB -0.245 37.705 38.000 -0.085 0.000 1.073 339 I HN 0.206 nan 8.210 nan 0.000 0.424 340 R N 0.244 120.710 120.500 -0.057 0.000 2.152 340 R HA -0.078 4.263 4.340 0.000 0.000 0.232 340 R C 1.867 178.140 176.300 -0.046 0.000 1.117 340 R CA 1.142 57.216 56.100 -0.045 0.000 0.981 340 R CB -0.134 30.149 30.300 -0.027 0.000 0.870 340 R HN 0.350 nan 8.270 nan 0.000 0.451 341 M N -0.652 118.920 119.600 -0.047 0.000 2.568 341 M HA 0.131 4.611 4.480 0.000 0.000 0.226 341 M C 0.678 176.943 176.300 -0.058 0.000 1.148 341 M CA 0.477 55.753 55.300 -0.040 0.000 1.007 341 M CB 1.110 33.695 32.600 -0.025 0.000 1.651 341 M HN 0.437 nan 8.290 nan 0.000 0.488 342 G N 0.280 109.019 108.800 -0.101 0.000 2.175 342 G HA2 -0.200 3.760 3.960 0.000 0.000 0.244 342 G HA3 -0.200 3.760 3.960 0.000 0.000 0.244 342 G C 0.206 174.948 174.900 -0.263 0.000 0.982 342 G CA -0.032 44.973 45.100 -0.158 0.000 0.641 342 G HN 0.664 nan 8.290 nan 0.000 0.527 343 A N -0.169 122.538 122.820 -0.188 0.000 2.386 343 A HA 0.666 4.986 4.320 0.000 0.000 0.248 343 A C 0.012 177.432 177.584 -0.273 0.000 1.082 343 A CA 0.221 52.171 52.037 -0.145 0.000 0.789 343 A CB 0.252 19.216 19.000 -0.060 0.000 1.025 343 A HN 0.674 nan 8.150 nan 0.000 0.490 344 H N -0.410 118.676 119.070 0.027 0.000 2.505 344 H HA 0.687 5.243 4.556 -0.000 0.000 0.338 344 H C 0.051 175.417 175.328 0.064 0.000 1.057 344 H CA 0.737 56.823 56.048 0.063 0.000 1.202 344 H CB 1.745 31.572 29.762 0.108 0.000 1.466 344 H HN 1.020 nan 8.280 nan 0.000 0.499 345 A N 2.509 125.414 122.820 0.142 0.000 2.597 345 A HA 0.601 4.921 4.320 0.000 0.000 0.292 345 A C -1.491 176.093 177.584 0.000 0.000 1.057 345 A CA -0.957 51.087 52.037 0.011 0.000 0.674 345 A CB 1.403 20.339 19.000 -0.107 0.000 1.278 345 A HN 0.608 nan 8.150 nan 0.000 0.416 346 E N 0.207 120.378 120.200 -0.049 0.000 2.272 346 E HA 0.664 5.014 4.350 0.000 0.000 0.269 346 E C -1.178 175.365 176.600 -0.095 0.000 0.877 346 E CA -0.267 56.113 56.400 -0.033 0.000 0.755 346 E CB 2.186 31.903 29.700 0.028 0.000 1.192 346 E HN 0.539 nan 8.360 nan 0.000 0.422 347 I N 2.003 122.529 120.570 -0.073 0.000 2.336 347 I HA 0.349 4.519 4.170 0.000 0.000 0.292 347 I C -0.415 175.710 176.117 0.013 0.000 0.991 347 I CA -0.643 60.620 61.300 -0.062 0.000 1.227 347 I CB 1.403 39.396 38.000 -0.012 0.000 1.366 347 I HN 0.372 nan 8.210 nan 0.000 0.466 348 E N 4.924 125.147 120.200 0.039 0.000 2.279 348 E HA 0.393 4.743 4.350 0.000 0.000 0.252 348 E C -0.047 176.606 176.600 0.089 0.000 0.894 348 E CA 0.077 56.508 56.400 0.050 0.000 0.785 348 E CB 1.335 31.052 29.700 0.028 0.000 1.237 348 E HN 0.641 nan 8.360 nan 0.000 0.418 349 S N 3.871 119.624 115.700 0.089 0.000 4.114 349 S HA -0.316 4.154 4.470 0.000 0.000 0.618 349 S C 0.671 175.359 174.600 0.147 0.000 1.937 349 S CA 1.813 60.065 58.200 0.087 0.000 4.228 349 S CB -1.133 62.101 63.200 0.057 0.000 0.216 349 S HN 0.791 nan 8.310 nan 0.000 0.528 350 N N 2.223 120.997 118.700 0.124 0.000 2.327 350 N HA 0.221 4.961 4.740 0.000 0.000 0.231 350 N C -0.104 175.607 175.510 0.335 0.000 1.130 350 N CA 0.861 53.993 53.050 0.137 0.000 0.845 350 N CB 0.103 38.592 38.487 0.004 0.000 1.073 350 N HN 0.874 nan 8.380 nan 0.000 0.496 351 T N -2.015 112.773 114.554 0.388 0.000 2.933 351 T HA 0.515 4.865 4.350 0.000 0.000 0.305 351 T C -0.910 173.792 174.700 0.005 0.000 1.092 351 T CA -0.677 61.581 62.100 0.265 0.000 1.008 351 T CB 1.690 70.618 68.868 0.101 0.000 1.102 351 T HN -0.028 nan 8.240 nan 0.000 0.469 352 V N 3.219 122.974 119.914 -0.265 0.000 2.398 352 V HA 0.591 4.711 4.120 0.000 0.000 0.286 352 V C -0.084 175.858 176.094 -0.253 0.000 1.026 352 V CA -1.148 60.897 62.300 -0.425 0.000 0.868 352 V CB 1.077 32.477 31.823 -0.705 0.000 0.982 352 V HN 0.811 nan 8.190 nan 0.000 0.443 353 I N 3.399 123.834 120.570 -0.225 0.000 2.312 353 I HA 0.333 4.503 4.170 0.000 0.000 0.291 353 I C 0.139 176.008 176.117 -0.414 0.000 1.031 353 I CA 0.009 61.154 61.300 -0.259 0.000 1.293 353 I CB 0.741 38.628 38.000 -0.187 0.000 1.403 353 I HN 0.655 nan 8.210 nan 0.000 0.484 354 C N 6.319 125.379 119.300 -0.400 0.000 2.341 354 C HA 0.435 4.895 4.460 0.000 0.000 0.338 354 C C 0.356 175.073 174.990 -0.456 0.000 1.257 354 C CA -0.547 58.258 59.018 -0.355 0.000 1.883 354 C CB 0.358 28.000 27.740 -0.164 0.000 2.334 354 C HN 0.608 nan 8.230 nan 0.000 0.524 355 H N 1.508 120.587 119.070 0.016 0.000 2.736 355 H HA 0.284 4.840 4.556 -0.000 0.000 0.271 355 H C 0.609 175.959 175.328 0.036 0.000 1.184 355 H CA -0.053 56.000 56.048 0.009 0.000 1.378 355 H CB 0.834 30.588 29.762 -0.013 0.000 1.428 355 H HN 0.947 nan 8.280 nan 0.000 0.500 356 G N 1.797 110.654 108.800 0.094 0.000 2.391 356 G HA2 0.258 4.218 3.960 0.000 0.000 0.234 356 G HA3 0.258 4.218 3.960 0.000 0.000 0.234 356 G C 0.481 175.436 174.900 0.092 0.000 1.284 356 G CA -0.009 45.137 45.100 0.077 0.000 0.873 356 G HN 0.427 nan 8.290 nan 0.000 0.549 357 V N -0.063 119.910 119.914 0.099 0.000 3.046 357 V HA 0.572 4.692 4.120 0.000 0.000 0.316 357 V C 0.997 177.127 176.094 0.059 0.000 1.104 357 V CA -0.682 61.678 62.300 0.100 0.000 1.006 357 V CB 1.902 33.828 31.823 0.172 0.000 1.058 357 V HN 0.818 nan 8.190 nan 0.000 0.440 358 E N 0.866 121.094 120.200 0.047 0.000 2.007 358 E HA -0.017 4.333 4.350 0.000 0.000 0.194 358 E C 0.761 177.378 176.600 0.027 0.000 0.999 358 E CA 1.371 57.790 56.400 0.031 0.000 0.811 358 E CB 0.191 29.906 29.700 0.025 0.000 0.762 358 E HN 0.677 nan 8.360 nan 0.000 0.450 359 K N -0.069 120.348 120.400 0.029 0.000 2.385 359 K HA 0.396 4.716 4.320 0.000 0.000 0.248 359 K C -1.174 175.438 176.600 0.019 0.000 0.955 359 K CA -0.566 55.733 56.287 0.020 0.000 0.816 359 K CB 1.316 33.825 32.500 0.015 0.000 1.250 359 K HN 0.003 nan 8.250 nan 0.000 0.434 360 L N 1.226 122.455 121.223 0.008 0.000 2.375 360 L HA 0.419 4.759 4.340 0.000 0.000 0.268 360 L C -0.231 176.638 176.870 -0.003 0.000 1.058 360 L CA -0.753 54.086 54.840 -0.001 0.000 0.803 360 L CB 1.992 44.047 42.059 -0.005 0.000 1.212 360 L HN 0.583 nan 8.230 nan 0.000 0.451 361 S N 0.023 115.717 115.700 -0.009 0.000 2.454 361 S HA 0.478 4.948 4.470 0.000 0.000 0.306 361 S C 0.187 174.782 174.600 -0.007 0.000 1.100 361 S CA -0.705 57.491 58.200 -0.007 0.000 1.087 361 S CB 1.662 64.857 63.200 -0.009 0.000 1.019 361 S HN 0.770 nan 8.310 nan 0.000 0.480 362 G N 1.485 110.283 108.800 -0.003 0.000 2.491 362 G HA2 0.509 4.469 3.960 0.000 0.000 0.238 362 G HA3 0.509 4.469 3.960 0.000 0.000 0.238 362 G C -0.188 174.711 174.900 -0.001 0.000 1.277 362 G CA 0.169 45.268 45.100 -0.001 0.000 0.851 362 G HN 1.030 nan 8.290 nan 0.000 0.573 363 A N 1.563 124.383 122.820 0.001 0.000 2.540 363 A HA 0.656 4.976 4.320 0.000 0.000 0.291 363 A C -0.705 176.882 177.584 0.005 0.000 1.083 363 A CA -0.776 51.262 52.037 0.001 0.000 0.650 363 A CB 0.776 19.772 19.000 -0.006 0.000 1.292 363 A HN 0.645 nan 8.150 nan 0.000 0.435 364 Q N 0.563 120.366 119.800 0.006 0.000 2.314 364 Q HA 0.495 4.835 4.340 0.000 0.000 0.257 364 Q C -0.139 175.864 176.000 0.006 0.000 0.975 364 Q CA -0.488 55.321 55.803 0.010 0.000 0.933 364 Q CB 1.326 30.070 28.738 0.011 0.000 1.195 364 Q HN 0.898 nan 8.270 nan 0.000 0.426 365 V N -0.118 119.800 119.914 0.007 0.000 3.113 365 V HA 0.705 4.825 4.120 0.000 0.000 0.316 365 V C -0.658 175.436 176.094 -0.001 0.000 1.125 365 V CA -1.293 61.008 62.300 0.002 0.000 1.026 365 V CB 2.222 34.045 31.823 0.000 0.000 1.080 365 V HN 0.826 nan 8.190 nan 0.000 0.444 366 M N 2.652 122.249 119.600 -0.005 0.000 2.190 366 M HA 0.790 5.270 4.480 0.000 0.000 0.312 366 M C -0.123 176.159 176.300 -0.031 0.000 0.990 366 M CA -0.621 54.673 55.300 -0.010 0.000 0.927 366 M CB 1.472 34.074 32.600 0.004 0.000 1.571 366 M HN 1.212 nan 8.290 nan 0.000 0.427 367 A N 2.893 125.680 122.820 -0.054 0.000 2.477 367 A HA 0.426 4.746 4.320 0.000 0.000 0.246 367 A C 0.851 178.333 177.584 -0.171 0.000 1.078 367 A CA 0.262 52.232 52.037 -0.112 0.000 0.770 367 A CB -0.026 18.900 19.000 -0.125 0.000 1.011 367 A HN 0.961 nan 8.150 nan 0.000 0.494 368 T N -1.515 112.863 114.554 -0.294 0.000 2.955 368 T HA 0.358 4.708 4.350 0.000 0.000 0.251 368 T C 0.032 174.305 174.700 -0.711 0.000 1.002 368 T CA 0.665 62.557 62.100 -0.347 0.000 0.970 368 T CB -0.388 68.397 68.868 -0.138 0.000 1.091 368 T HN 0.873 nan 8.240 nan 0.000 0.495 369 D N -0.823 119.125 120.400 -0.753 0.000 2.692 369 D HA 0.390 5.030 4.640 0.000 0.000 0.290 369 D C 0.691 176.770 176.300 -0.369 0.000 1.281 369 D CA -0.936 52.689 54.000 -0.624 0.000 0.804 369 D CB 0.687 41.313 40.800 -0.290 0.000 1.331 369 D HN -0.109 nan 8.370 nan 0.000 0.432 370 L N 0.539 121.670 121.223 -0.152 0.000 1.963 370 L HA -0.144 4.196 4.340 0.000 0.000 0.220 370 L C 1.990 178.873 176.870 0.021 0.000 1.076 370 L CA 1.966 56.803 54.840 -0.004 0.000 0.772 370 L CB -0.689 41.391 42.059 0.035 0.000 0.892 370 L HN 0.498 nan 8.230 nan 0.000 0.435 371 R N -0.075 120.423 120.500 -0.004 0.000 2.115 371 R HA 0.044 4.384 4.340 0.000 0.000 0.230 371 R C 2.177 178.422 176.300 -0.092 0.000 1.111 371 R CA 1.210 57.313 56.100 0.006 0.000 0.976 371 R CB -1.503 28.793 30.300 -0.006 0.000 0.870 371 R HN 0.584 nan 8.270 nan 0.000 0.445 372 A N 1.425 124.165 122.820 -0.133 0.000 1.898 372 A HA -0.178 4.142 4.320 0.000 0.000 0.216 372 A C 2.378 179.893 177.584 -0.115 0.000 1.181 372 A CA 1.954 53.909 52.037 -0.137 0.000 0.620 372 A CB -0.605 18.352 19.000 -0.071 0.000 0.819 372 A HN 0.452 nan 8.150 nan 0.000 0.442 373 S N 0.462 116.079 115.700 -0.138 0.000 2.370 373 S HA -0.065 4.405 4.470 0.000 0.000 0.226 373 S C 2.112 176.625 174.600 -0.147 0.000 1.033 373 S CA 1.567 59.684 58.200 -0.137 0.000 1.011 373 S CB -0.808 62.306 63.200 -0.144 0.000 0.852 373 S HN 0.969 nan 8.310 nan 0.000 0.457 374 A N 1.515 124.218 122.820 -0.196 0.000 1.933 374 A HA 0.028 4.348 4.320 0.000 0.000 0.218 374 A C 2.459 179.922 177.584 -0.201 0.000 1.175 374 A CA 1.794 53.642 52.037 -0.316 0.000 0.628 374 A CB -1.154 17.526 19.000 -0.533 0.000 0.814 374 A HN 0.576 nan 8.150 nan 0.000 0.444 375 S N -0.097 115.517 115.700 -0.143 0.000 2.368 375 S HA -0.055 4.415 4.470 0.000 0.000 0.224 375 S C 1.785 176.348 174.600 -0.062 0.000 1.029 375 S CA 1.340 59.479 58.200 -0.102 0.000 0.988 375 S CB -0.400 62.735 63.200 -0.108 0.000 0.838 375 S HN 0.529 nan 8.310 nan 0.000 0.462 376 L N 0.971 122.164 121.223 -0.050 0.000 2.141 376 L HA -0.047 4.293 4.340 0.000 0.000 0.209 376 L C 2.268 179.129 176.870 -0.014 0.000 1.094 376 L CA 0.706 55.533 54.840 -0.021 0.000 0.763 376 L CB -0.617 41.431 42.059 -0.018 0.000 0.908 376 L HN 0.205 nan 8.230 nan 0.000 0.437 377 V N 0.193 120.093 119.914 -0.023 0.000 2.358 377 V HA -0.260 3.860 4.120 0.000 0.000 0.246 377 V C 2.392 178.475 176.094 -0.019 0.000 1.047 377 V CA 1.478 63.790 62.300 0.019 0.000 1.035 377 V CB -0.277 31.581 31.823 0.058 0.000 0.658 377 V HN 0.343 nan 8.190 nan 0.000 0.452 378 L N 0.046 121.234 121.223 -0.059 0.000 2.083 378 L HA -0.153 4.187 4.340 0.000 0.000 0.209 378 L C 2.726 179.575 176.870 -0.035 0.000 1.083 378 L CA 1.437 56.243 54.840 -0.058 0.000 0.752 378 L CB -0.828 41.178 42.059 -0.087 0.000 0.899 378 L HN 0.373 nan 8.230 nan 0.000 0.433 379 A N 0.534 123.337 122.820 -0.028 0.000 1.902 379 A HA -0.140 4.180 4.320 0.000 0.000 0.217 379 A C 2.424 180.003 177.584 -0.009 0.000 1.181 379 A CA 1.763 53.791 52.037 -0.016 0.000 0.623 379 A CB -1.253 17.742 19.000 -0.008 0.000 0.818 379 A HN 0.434 nan 8.150 nan 0.000 0.443 380 G N -0.987 107.810 108.800 -0.004 0.000 2.442 380 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 380 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 380 G C 1.542 176.438 174.900 -0.006 0.000 1.141 380 G CA 1.300 46.401 45.100 0.001 0.000 0.763 380 G HN 0.529 nan 8.290 nan 0.000 0.554 381 C N 0.689 119.983 119.300 -0.011 0.000 2.422 381 C HA 0.024 4.484 4.460 0.000 0.000 0.279 381 C C 2.628 177.612 174.990 -0.010 0.000 1.305 381 C CA 0.925 59.935 59.018 -0.013 0.000 1.757 381 C CB -0.880 26.851 27.740 -0.014 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.237 119.327 120.570 -0.010 0.000 3.968 382 I HA 0.381 4.551 4.170 0.000 0.000 0.328 382 I C 1.040 177.154 176.117 -0.005 0.000 1.290 382 I CA -0.122 61.173 61.300 -0.008 0.000 1.163 382 I CB -0.394 37.600 38.000 -0.010 0.000 1.024 382 I HN 0.061 nan 8.210 nan 0.000 0.413 383 A N 1.817 124.634 122.820 -0.005 0.000 2.366 383 A HA 0.265 4.585 4.320 0.000 0.000 0.249 383 A C -0.010 177.573 177.584 -0.002 0.000 1.084 383 A CA -0.151 51.885 52.037 -0.003 0.000 0.794 383 A CB 0.263 19.260 19.000 -0.004 0.000 1.034 383 A HN 0.422 nan 8.150 nan 0.000 0.491 384 E N 0.213 120.413 120.200 -0.000 0.000 2.070 384 E HA 0.477 4.827 4.350 0.000 0.000 0.282 384 E C 0.650 177.250 176.600 0.000 0.000 1.104 384 E CA 1.336 57.737 56.400 0.001 0.000 0.876 384 E CB -0.275 29.427 29.700 0.003 0.000 1.055 384 E HN 1.529 nan 8.360 nan 0.000 0.401 385 G N 3.052 111.852 108.800 -0.000 0.000 2.378 385 G HA2 -0.151 3.809 3.960 0.000 0.000 0.198 385 G HA3 -0.151 3.809 3.960 0.000 0.000 0.198 385 G C -0.611 174.289 174.900 0.000 0.000 1.223 385 G CA -0.396 44.704 45.100 0.000 0.000 1.088 385 G HN 0.551 nan 8.290 nan 0.000 0.530 386 T N 1.402 115.957 114.554 0.002 0.000 2.767 386 T HA 0.678 5.028 4.350 0.000 0.000 0.284 386 T C -0.150 174.555 174.700 0.008 0.000 0.973 386 T CA 0.299 62.402 62.100 0.005 0.000 0.996 386 T CB 1.483 70.355 68.868 0.006 0.000 0.927 386 T HN 0.722 nan 8.240 nan 0.000 0.456 387 T N 2.649 117.211 114.554 0.013 0.000 2.841 387 T HA 0.566 4.916 4.350 0.000 0.000 0.283 387 T C -0.553 174.167 174.700 0.033 0.000 1.000 387 T CA -0.545 61.566 62.100 0.018 0.000 0.977 387 T CB 1.370 70.248 68.868 0.016 0.000 0.979 387 T HN 0.322 nan 8.240 nan 0.000 0.446 388 V N 3.571 123.506 119.914 0.035 0.000 2.407 388 V HA 0.376 4.496 4.120 0.000 0.000 0.291 388 V C -0.295 175.826 176.094 0.045 0.000 1.018 388 V CA -0.787 61.543 62.300 0.049 0.000 0.842 388 V CB 1.684 33.531 31.823 0.039 0.000 0.996 388 V HN 0.726 nan 8.190 nan 0.000 0.426 389 V N 3.973 123.925 119.914 0.064 0.000 2.318 389 V HA 0.288 4.408 4.120 0.000 0.000 0.271 389 V C 0.069 176.160 176.094 -0.006 0.000 1.030 389 V CA -0.382 61.934 62.300 0.026 0.000 0.844 389 V CB 1.298 33.139 31.823 0.030 0.000 1.015 389 V HN 0.905 nan 8.190 nan 0.000 0.460 390 D N 3.813 124.207 120.400 -0.009 0.000 2.313 390 D HA 0.359 4.999 4.640 0.000 0.000 0.247 390 D C 0.814 177.088 176.300 -0.044 0.000 1.094 390 D CA -0.124 53.870 54.000 -0.010 0.000 0.925 390 D CB 0.491 41.299 40.800 0.013 0.000 1.188 390 D HN 0.492 nan 8.370 nan 0.000 0.430 391 R N 1.371 121.851 120.500 -0.034 0.000 3.656 391 R HA -0.188 4.152 4.340 0.000 0.000 0.297 391 R C 1.011 177.112 176.300 -0.332 0.000 1.166 391 R CA 0.614 56.655 56.100 -0.098 0.000 0.799 391 R CB -2.193 28.059 30.300 -0.080 0.000 1.285 391 R HN 0.504 nan 8.270 nan 0.000 0.477 392 I N -1.816 118.578 120.570 -0.294 0.000 3.164 392 I HA -0.172 3.998 4.170 0.000 0.000 0.278 392 I C 1.993 177.891 176.117 -0.365 0.000 1.320 392 I CA 0.870 61.905 61.300 -0.441 0.000 1.422 392 I CB -0.989 36.476 38.000 -0.892 0.000 1.066 392 I HN 0.328 nan 8.210 nan 0.000 0.503 393 Y N -0.014 120.159 120.300 -0.211 0.000 2.256 393 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 393 Y C 2.380 178.190 175.900 -0.150 0.000 1.155 393 Y CA 1.469 59.456 58.100 -0.189 0.000 1.203 393 Y CB -1.694 36.640 38.460 -0.210 0.000 0.980 393 Y HN 0.223 nan 8.280 nan 0.000 0.530 394 H N 0.526 119.233 119.070 -0.605 0.000 2.353 394 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 394 H C 2.369 177.629 175.328 -0.113 0.000 1.103 394 H CA 2.027 57.871 56.048 -0.341 0.000 1.293 394 H CB -0.355 29.145 29.762 -0.436 0.000 1.372 394 H HN 0.503 nan 8.280 nan 0.000 0.501 395 I N 1.080 121.639 120.570 -0.018 0.000 2.493 395 I HA -0.206 3.964 4.170 0.000 0.000 0.254 395 I C 1.238 177.438 176.117 0.138 0.000 1.160 395 I CA 1.047 62.374 61.300 0.046 0.000 1.445 395 I CB 0.013 37.950 38.000 -0.105 0.000 1.086 395 I HN 0.086 nan 8.210 nan 0.000 0.433 396 D N 0.482 120.927 120.400 0.076 0.000 2.348 396 D HA -0.099 4.541 4.640 0.000 0.000 0.216 396 D C 2.069 178.434 176.300 0.109 0.000 0.970 396 D CA 0.418 54.481 54.000 0.105 0.000 0.889 396 D CB -0.092 40.755 40.800 0.079 0.000 0.912 396 D HN 0.290 nan 8.370 nan 0.000 0.524 397 R N 0.049 120.616 120.500 0.112 0.000 2.090 397 R HA 0.026 4.366 4.340 0.000 0.000 0.228 397 R C 1.871 178.208 176.300 0.061 0.000 1.110 397 R CA 1.039 57.192 56.100 0.088 0.000 0.973 397 R CB -0.306 30.052 30.300 0.097 0.000 0.869 397 R HN 0.196 nan 8.270 nan 0.000 0.440 398 G N -1.614 107.227 108.800 0.068 0.000 3.528 398 G HA2 0.119 4.079 3.960 0.000 0.000 0.266 398 G HA3 0.119 4.079 3.960 0.000 0.000 0.266 398 G C -0.547 174.208 174.900 -0.243 0.000 1.004 398 G CA -0.148 44.904 45.100 -0.080 0.000 0.853 398 G HN 0.075 nan 8.290 nan 0.000 0.501 399 Y N 0.659 120.986 120.300 0.044 0.000 2.338 399 Y HA 0.412 4.962 4.550 -0.000 0.000 0.333 399 Y C -0.034 175.920 175.900 0.090 0.000 0.968 399 Y CA -1.268 56.872 58.100 0.067 0.000 1.123 399 Y CB 1.766 40.260 38.460 0.057 0.000 1.165 399 Y HN 0.068 nan 8.280 nan 0.000 0.452 400 E N 4.978 125.304 120.200 0.209 0.000 2.180 400 E HA 0.208 4.558 4.350 0.000 0.000 0.283 400 E C -0.082 176.635 176.600 0.195 0.000 1.061 400 E CA -0.569 55.929 56.400 0.163 0.000 0.861 400 E CB 0.334 30.099 29.700 0.107 0.000 1.056 400 E HN 0.719 nan 8.360 nan 0.000 0.407 401 R N 3.378 123.982 120.500 0.174 0.000 3.158 401 R HA -0.231 4.109 4.340 0.000 0.000 0.244 401 R C 0.301 176.720 176.300 0.197 0.000 0.900 401 R CA 0.826 57.023 56.100 0.162 0.000 0.618 401 R CB -2.265 28.101 30.300 0.110 0.000 1.061 401 R HN 0.795 nan 8.270 nan 0.000 0.471 402 I N 0.460 121.180 120.570 0.251 0.000 2.493 402 I HA -0.252 3.918 4.170 0.000 0.000 0.254 402 I C 1.872 178.092 176.117 0.172 0.000 1.160 402 I CA 1.674 63.134 61.300 0.267 0.000 1.445 402 I CB 0.053 38.157 38.000 0.173 0.000 1.086 402 I HN 0.578 nan 8.210 nan 0.000 0.433 403 E N 0.553 120.818 120.200 0.108 0.000 2.051 403 E HA -0.249 4.101 4.350 0.000 0.000 0.192 403 E C 1.660 178.241 176.600 -0.032 0.000 0.991 403 E CA 1.599 57.951 56.400 -0.080 0.000 0.799 403 E CB -0.243 29.362 29.700 -0.160 0.000 0.748 403 E HN 0.491 nan 8.360 nan 0.000 0.449 404 D N 1.109 121.522 120.400 0.021 0.000 2.084 404 D HA -0.123 4.517 4.640 0.000 0.000 0.194 404 D C 1.788 178.096 176.300 0.013 0.000 0.990 404 D CA 1.134 55.141 54.000 0.011 0.000 0.826 404 D CB -0.165 40.650 40.800 0.025 0.000 0.971 404 D HN 0.116 nan 8.370 nan 0.000 0.453 405 K N 0.271 120.700 120.400 0.048 0.000 2.063 405 K HA -0.070 4.250 4.320 0.000 0.000 0.208 405 K C 2.344 178.961 176.600 0.027 0.000 1.048 405 K CA 0.614 56.899 56.287 -0.003 0.000 0.928 405 K CB -0.175 32.325 32.500 0.001 0.000 0.713 405 K HN 0.155 nan 8.250 nan 0.000 0.442 406 L N 0.458 121.760 121.223 0.132 0.000 2.056 406 L HA -0.141 4.199 4.340 0.000 0.000 0.207 406 L C 2.760 179.645 176.870 0.025 0.000 1.078 406 L CA 1.004 55.919 54.840 0.124 0.000 0.749 406 L CB -0.310 41.804 42.059 0.091 0.000 0.901 406 L HN 0.190 nan 8.230 nan 0.000 0.433 407 R N 0.465 120.958 120.500 -0.013 0.000 2.081 407 R HA -0.170 4.170 4.340 0.000 0.000 0.235 407 R C 2.182 178.467 176.300 -0.026 0.000 1.131 407 R CA 1.453 57.534 56.100 -0.033 0.000 0.960 407 R CB -0.258 30.014 30.300 -0.047 0.000 0.856 407 R HN 0.322 nan 8.270 nan 0.000 0.436 408 A N 0.357 123.160 122.820 -0.028 0.000 2.225 408 A HA -0.055 4.265 4.320 0.000 0.000 0.215 408 A C 1.703 179.264 177.584 -0.039 0.000 1.164 408 A CA 0.894 52.909 52.037 -0.038 0.000 0.710 408 A CB -0.200 18.769 19.000 -0.052 0.000 0.780 408 A HN 0.372 nan 8.150 nan 0.000 0.473 409 L N -2.036 119.172 121.223 -0.025 0.000 2.693 409 L HA 0.311 4.651 4.340 0.000 0.000 0.235 409 L C 1.459 178.325 176.870 -0.007 0.000 1.127 409 L CA 0.536 55.367 54.840 -0.015 0.000 0.914 409 L CB 0.331 42.397 42.059 0.012 0.000 1.193 409 L HN 0.507 nan 8.230 nan 0.000 0.502 410 G N -0.003 108.790 108.800 -0.012 0.000 2.168 410 G HA2 -0.192 3.768 3.960 0.000 0.000 0.197 410 G HA3 -0.192 3.768 3.960 0.000 0.000 0.197 410 G C 0.324 175.216 174.900 -0.015 0.000 0.997 410 G CA -0.144 44.948 45.100 -0.013 0.000 0.658 410 G HN 0.396 nan 8.290 nan 0.000 0.513 411 A N 0.030 122.840 122.820 -0.016 0.000 2.371 411 A HA 0.616 4.936 4.320 0.000 0.000 0.257 411 A C 0.473 178.031 177.584 -0.044 0.000 1.089 411 A CA 0.091 52.112 52.037 -0.027 0.000 0.794 411 A CB 0.443 19.426 19.000 -0.029 0.000 1.029 411 A HN 0.483 nan 8.150 nan 0.000 0.488 412 N N 1.951 120.624 118.700 -0.046 0.000 2.817 412 N HA 0.370 5.110 4.740 0.000 0.000 0.234 412 N C -1.318 174.147 175.510 -0.075 0.000 1.066 412 N CA -0.027 52.993 53.050 -0.051 0.000 0.926 412 N CB 0.279 38.746 38.487 -0.034 0.000 1.176 412 N HN 0.672 nan 8.380 nan 0.000 0.506 413 I N 0.953 121.454 120.570 -0.116 0.000 2.730 413 I HA 0.491 4.661 4.170 0.000 0.000 0.298 413 I C -1.346 174.640 176.117 -0.219 0.000 1.089 413 I CA -0.642 60.542 61.300 -0.194 0.000 1.041 413 I CB 2.236 40.056 38.000 -0.300 0.000 1.235 413 I HN 0.165 nan 8.210 nan 0.000 0.423 414 E N 4.815 124.877 120.200 -0.230 0.000 2.321 414 E HA 0.308 4.658 4.350 0.000 0.000 0.281 414 E C -1.296 175.256 176.600 -0.080 0.000 0.910 414 E CA -0.615 55.694 56.400 -0.151 0.000 0.770 414 E CB 1.757 31.422 29.700 -0.058 0.000 1.225 414 E HN 0.507 nan 8.360 nan 0.000 0.417 415 R N 3.420 123.917 120.500 -0.005 0.000 2.248 415 R HA 0.292 4.632 4.340 0.000 0.000 0.337 415 R C -0.415 175.988 176.300 0.172 0.000 1.085 415 R CA -0.403 55.861 56.100 0.273 0.000 0.934 415 R CB 0.025 30.549 30.300 0.374 0.000 1.034 415 R HN 0.340 nan 8.270 nan 0.000 0.465 416 V N 3.793 123.807 119.914 0.167 0.000 2.356 416 V HA 0.195 4.315 4.120 0.000 0.000 0.258 416 V C 0.895 177.041 176.094 0.087 0.000 1.065 416 V CA -0.687 61.672 62.300 0.099 0.000 0.935 416 V CB 1.215 33.085 31.823 0.079 0.000 1.061 416 V HN 0.715 nan 8.190 nan 0.000 0.484 417 K N 4.182 124.624 120.400 0.071 0.000 2.152 417 K HA -0.032 4.288 4.320 0.000 0.000 0.206 417 K C 1.349 177.974 176.600 0.042 0.000 1.048 417 K CA 1.084 57.404 56.287 0.055 0.000 0.933 417 K CB -0.465 32.062 32.500 0.044 0.000 0.721 417 K HN 0.942 nan 8.250 nan 0.000 0.447 418 G N 3.066 111.889 108.800 0.039 0.000 2.202 418 G HA2 0.013 3.973 3.960 0.000 0.000 0.251 418 G HA3 0.013 3.973 3.960 0.000 0.000 0.251 418 G C 0.192 175.111 174.900 0.031 0.000 1.219 418 G CA -0.074 45.044 45.100 0.031 0.000 0.943 418 G HN 0.266 nan 8.290 nan 0.000 0.465 419 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 56.414 56.400 0.023 0.000 0.976 419 E CB 0.000 29.710 29.700 0.016 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440