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 3p24_1_C DATA FIRST_RESID 33 DATA SEQUENCE PVTASIDLQS VSYTDLATQL NDVSDFGKMI ILKDNGFNRQ VHVSMDKRTK DATA SEQUENCE IQLDNENVRL FNGRDKDSTN FILGDEFAVL RFYRNGESIS YIAYKEAQMM DATA SEQUENCE NEIAEFYAAP FKKTRAINEK EAFECIYDSR TRSAGKYPVS VKINVDKAKK DATA SEQUENCE ILNLPECDYI NDYIKTPXXX XXXXXXXXRA VPSEPKTVYV ICLRENGSTV DATA SEQUENCE YPNEVSAQMQ DAANSVYAVH GLKRYVNLHF VLYTTEYACP SGNADEGLDG DATA SEQUENCE FTASLKANPK AEGYDDQIYF LIRWGTWDNN ILGISWLNSY NVNTASDFKA DATA SEQUENCE SGMSTTQLMY PGVMAHELGH ILGANHADDP KDLMYSKYTG YLFHLSEKNM DATA SEQUENCE DIIAKNLGWE IADGD 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.287 177.300 -0.022 0.000 1.155 33 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 33 P CB 0.000 31.688 31.700 -0.021 0.000 0.726 34 V N -2.444 117.455 119.914 -0.025 0.000 2.612 34 V HA 0.667 4.786 4.120 -0.001 0.000 0.301 34 V C -0.419 175.655 176.094 -0.033 0.000 1.059 34 V CA -0.468 61.815 62.300 -0.028 0.000 0.886 34 V CB 1.157 32.963 31.823 -0.028 0.000 1.007 34 V HN 0.510 nan 8.190 nan 0.000 0.426 35 T N 4.295 118.828 114.554 -0.035 0.000 2.916 35 T HA 0.543 4.893 4.350 -0.001 0.000 0.303 35 T C 0.832 175.502 174.700 -0.050 0.000 1.025 35 T CA 0.698 62.775 62.100 -0.039 0.000 1.142 35 T CB 1.101 69.947 68.868 -0.037 0.000 0.947 35 T HN 1.505 nan 8.240 nan 0.000 0.544 36 A N 3.322 126.106 122.820 -0.059 0.000 2.483 36 A HA 0.504 4.823 4.320 -0.001 0.000 0.238 36 A C 0.689 178.227 177.584 -0.078 0.000 1.070 36 A CA -0.375 51.618 52.037 -0.073 0.000 0.770 36 A CB -0.042 18.904 19.000 -0.090 0.000 1.008 36 A HN 1.015 nan 8.150 nan 0.000 0.497 37 S N 0.830 116.482 115.700 -0.080 0.000 2.556 37 S HA 0.725 5.195 4.470 -0.001 0.000 0.271 37 S C -0.900 173.652 174.600 -0.081 0.000 1.135 37 S CA -0.663 57.488 58.200 -0.081 0.000 0.858 37 S CB 1.076 64.230 63.200 -0.075 0.000 1.114 37 S HN 0.597 nan 8.310 nan 0.000 0.468 38 I N 2.144 122.665 120.570 -0.083 0.000 2.389 38 I HA 0.338 4.507 4.170 -0.001 0.000 0.288 38 I C -0.959 175.106 176.117 -0.086 0.000 0.999 38 I CA -0.452 60.799 61.300 -0.081 0.000 1.129 38 I CB 1.676 39.636 38.000 -0.067 0.000 1.288 38 I HN 0.693 nan 8.210 nan 0.000 0.444 39 D N 7.058 127.415 120.400 -0.071 0.000 2.380 39 D HA 0.211 4.851 4.640 -0.001 0.000 0.230 39 D C 0.743 177.000 176.300 -0.071 0.000 1.154 39 D CA -0.103 53.864 54.000 -0.055 0.000 0.859 39 D CB 1.099 41.881 40.800 -0.030 0.000 1.045 39 D HN 0.447 nan 8.370 nan 0.000 0.495 40 L N 2.688 123.853 121.223 -0.096 0.000 2.551 40 L HA -0.041 4.298 4.340 -0.001 0.000 0.228 40 L C 1.957 178.823 176.870 -0.007 0.000 1.153 40 L CA 0.361 55.089 54.840 -0.185 0.000 0.851 40 L CB -0.072 41.816 42.059 -0.285 0.000 0.959 40 L HN 0.368 nan 8.230 nan 0.000 0.451 41 Q N -0.210 119.605 119.800 0.025 0.000 2.435 41 Q HA -0.013 4.326 4.340 -0.001 0.000 0.207 41 Q C 1.612 177.646 176.000 0.056 0.000 0.956 41 Q CA 1.092 56.929 55.803 0.056 0.000 0.917 41 Q CB 0.405 29.172 28.738 0.049 0.000 0.997 41 Q HN 0.598 nan 8.270 nan 0.000 0.497 42 S N -2.394 113.327 115.700 0.035 0.000 2.998 42 S HA 0.118 4.588 4.470 -0.001 0.000 0.256 42 S C 0.093 174.711 174.600 0.031 0.000 0.970 42 S CA -0.487 57.739 58.200 0.043 0.000 1.238 42 S CB 0.061 63.285 63.200 0.040 0.000 1.170 42 S HN 0.006 nan 8.310 nan 0.000 0.663 43 V N 4.093 124.014 119.914 0.012 0.000 2.557 43 V HA 0.529 4.649 4.120 -0.001 0.000 0.301 43 V C 0.238 176.363 176.094 0.052 0.000 1.026 43 V CA 1.016 63.318 62.300 0.002 0.000 1.137 43 V CB 0.649 32.436 31.823 -0.060 0.000 0.917 43 V HN 0.803 nan 8.190 nan 0.000 0.484 44 S N 5.540 121.268 115.700 0.047 0.000 2.715 44 S HA 0.406 4.875 4.470 -0.001 0.000 0.307 44 S C 0.453 175.106 174.600 0.089 0.000 1.119 44 S CA -0.113 58.142 58.200 0.092 0.000 0.937 44 S CB 1.114 64.369 63.200 0.091 0.000 1.150 44 S HN 0.807 nan 8.310 nan 0.000 0.521 45 Y N 1.705 122.039 120.300 0.057 0.000 2.128 45 Y HA -0.146 4.404 4.550 -0.001 0.000 0.284 45 Y C 2.760 178.663 175.900 0.005 0.000 1.154 45 Y CA 2.881 61.003 58.100 0.037 0.000 1.149 45 Y CB -1.112 37.380 38.460 0.055 0.000 0.976 45 Y HN 0.906 nan 8.280 nan 0.000 0.505 46 T N -2.447 112.108 114.554 0.002 0.000 2.833 46 T HA -0.171 4.179 4.350 -0.001 0.000 0.269 46 T C 1.563 176.170 174.700 -0.155 0.000 1.054 46 T CA 1.442 63.496 62.100 -0.077 0.000 1.135 46 T CB -0.540 68.366 68.868 0.064 0.000 0.869 46 T HN 0.318 nan 8.240 nan 0.000 0.466 47 D N 1.650 121.986 120.400 -0.108 0.000 2.104 47 D HA -0.014 4.626 4.640 -0.001 0.000 0.194 47 D C 2.152 178.341 176.300 -0.185 0.000 0.994 47 D CA 1.014 54.945 54.000 -0.114 0.000 0.830 47 D CB -0.390 40.369 40.800 -0.068 0.000 0.959 47 D HN 0.378 nan 8.370 nan 0.000 0.452 48 L N 0.578 121.665 121.223 -0.226 0.000 2.109 48 L HA -0.071 4.269 4.340 -0.001 0.000 0.207 48 L C 2.558 179.189 176.870 -0.399 0.000 1.086 48 L CA 0.947 55.628 54.840 -0.266 0.000 0.760 48 L CB -0.363 41.588 42.059 -0.181 0.000 0.910 48 L HN -0.044 nan 8.230 nan 0.000 0.437 49 A N 0.398 122.897 122.820 -0.537 0.000 1.877 49 A HA -0.236 4.084 4.320 -0.001 0.000 0.216 49 A C 2.477 179.872 177.584 -0.314 0.000 1.186 49 A CA 2.432 54.169 52.037 -0.500 0.000 0.620 49 A CB -1.106 17.493 19.000 -0.669 0.000 0.822 49 A HN 0.511 nan 8.150 nan 0.000 0.443 50 T N -2.818 111.584 114.554 -0.253 0.000 2.788 50 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 50 T C 1.880 176.460 174.700 -0.200 0.000 1.044 50 T CA 1.477 63.472 62.100 -0.175 0.000 1.139 50 T CB -0.336 68.458 68.868 -0.123 0.000 0.867 50 T HN 0.411 nan 8.240 nan 0.000 0.454 51 Q N 1.089 120.739 119.800 -0.249 0.000 2.046 51 Q HA 0.168 4.508 4.340 -0.001 0.000 0.200 51 Q C 2.583 178.346 176.000 -0.394 0.000 0.975 51 Q CA 1.099 56.732 55.803 -0.284 0.000 0.836 51 Q CB -0.548 28.018 28.738 -0.286 0.000 0.896 51 Q HN 0.539 nan 8.270 nan 0.000 0.428 52 L N 1.027 121.925 121.223 -0.541 0.000 2.156 52 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 52 L C 1.803 178.371 176.870 -0.503 0.000 1.095 52 L CA 0.535 54.878 54.840 -0.827 0.000 0.770 52 L CB -0.373 40.973 42.059 -1.188 0.000 0.914 52 L HN 0.166 nan 8.230 nan 0.000 0.439 53 N N -0.060 118.469 118.700 -0.285 0.000 2.453 53 N HA -0.182 4.558 4.740 -0.001 0.000 0.183 53 N C 1.165 176.623 175.510 -0.087 0.000 1.041 53 N CA 1.094 54.073 53.050 -0.119 0.000 0.900 53 N CB -0.113 38.324 38.487 -0.085 0.000 0.961 53 N HN 0.324 nan 8.380 nan 0.000 0.443 54 D N -0.232 120.089 120.400 -0.132 0.000 2.340 54 D HA 0.018 4.658 4.640 -0.001 0.000 0.220 54 D C -0.310 175.944 176.300 -0.076 0.000 1.039 54 D CA 0.005 53.950 54.000 -0.091 0.000 0.866 54 D CB 0.456 41.193 40.800 -0.105 0.000 0.913 54 D HN -0.175 nan 8.370 nan 0.000 0.523 55 V N 1.909 121.766 119.914 -0.096 0.000 2.446 55 V HA 0.146 4.266 4.120 -0.001 0.000 0.276 55 V C 0.861 176.977 176.094 0.037 0.000 1.030 55 V CA -0.264 62.008 62.300 -0.048 0.000 1.033 55 V CB 0.568 32.361 31.823 -0.050 0.000 0.993 55 V HN 0.254 nan 8.190 nan 0.000 0.477 56 S N 3.068 118.799 115.700 0.051 0.000 2.686 56 S HA 0.232 4.701 4.470 -0.001 0.000 0.270 56 S C 0.789 175.411 174.600 0.037 0.000 1.194 56 S CA -0.593 57.662 58.200 0.090 0.000 0.990 56 S CB 0.880 64.202 63.200 0.204 0.000 1.029 56 S HN 0.628 nan 8.310 nan 0.000 0.560 57 D N -0.040 120.317 120.400 -0.071 0.000 2.309 57 D HA 0.021 4.660 4.640 -0.001 0.000 0.212 57 D C 0.716 176.747 176.300 -0.449 0.000 0.968 57 D CA 1.029 54.835 54.000 -0.323 0.000 0.882 57 D CB -0.378 40.101 40.800 -0.534 0.000 0.918 57 D HN 0.595 nan 8.370 nan 0.000 0.503 58 F N -0.145 119.825 119.950 0.033 0.000 2.727 58 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 58 F C 1.618 177.478 175.800 0.100 0.000 1.097 58 F CA 0.165 58.202 58.000 0.062 0.000 1.330 58 F CB 0.212 39.242 39.000 0.050 0.000 1.084 58 F HN -0.109 nan 8.300 nan 0.000 0.578 59 G N 1.431 110.316 108.800 0.141 0.000 2.756 59 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.678 59 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.678 59 G C -0.968 173.832 174.900 -0.166 0.000 1.349 59 G CA -0.734 44.322 45.100 -0.073 0.000 0.847 59 G HN 0.315 nan 8.290 nan 0.000 0.548 60 K N -0.156 119.981 120.400 -0.439 0.000 2.535 60 K HA 0.533 4.852 4.320 -0.001 0.000 0.251 60 K C -0.008 176.420 176.600 -0.287 0.000 0.942 60 K CA -1.094 55.044 56.287 -0.249 0.000 0.798 60 K CB 0.902 33.294 32.500 -0.179 0.000 1.267 60 K HN 0.491 nan 8.250 nan 0.000 0.434 61 M N 5.086 124.633 119.600 -0.087 0.000 2.200 61 M HA 0.333 4.812 4.480 -0.001 0.000 0.355 61 M C -0.283 175.982 176.300 -0.059 0.000 1.283 61 M CA -0.001 55.292 55.300 -0.012 0.000 1.124 61 M CB 0.009 32.644 32.600 0.058 0.000 1.625 61 M HN 0.496 nan 8.290 nan 0.000 0.463 62 I N 4.385 124.923 120.570 -0.055 0.000 2.533 62 I HA 0.446 4.616 4.170 -0.001 0.000 0.290 62 I C -0.458 175.626 176.117 -0.056 0.000 1.056 62 I CA -0.643 60.616 61.300 -0.069 0.000 1.057 62 I CB 2.318 40.263 38.000 -0.092 0.000 1.240 62 I HN 0.548 nan 8.210 nan 0.000 0.423 63 I N 6.401 126.924 120.570 -0.079 0.000 2.315 63 I HA 0.294 4.464 4.170 -0.001 0.000 0.291 63 I C -0.252 175.783 176.117 -0.138 0.000 1.006 63 I CA -0.517 60.714 61.300 -0.115 0.000 1.265 63 I CB 0.941 38.873 38.000 -0.114 0.000 1.387 63 I HN 0.284 nan 8.210 nan 0.000 0.475 64 L N 7.875 128.979 121.223 -0.198 0.000 2.290 64 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 64 L C -0.154 176.544 176.870 -0.288 0.000 1.078 64 L CA -0.389 54.316 54.840 -0.224 0.000 0.815 64 L CB 0.292 42.172 42.059 -0.297 0.000 1.162 64 L HN 0.550 nan 8.230 nan 0.000 0.435 65 K N 2.533 122.841 120.400 -0.153 0.000 2.378 65 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 65 K C -1.280 175.348 176.600 0.047 0.000 0.931 65 K CA -0.937 55.289 56.287 -0.102 0.000 0.794 65 K CB 2.743 35.192 32.500 -0.085 0.000 1.181 65 K HN 0.349 nan 8.250 nan 0.000 0.425 66 D N 0.249 120.745 120.400 0.160 0.000 2.664 66 D HA 0.198 4.838 4.640 -0.001 0.000 0.292 66 D C -1.071 175.316 176.300 0.146 0.000 1.214 66 D CA -0.656 53.451 54.000 0.178 0.000 0.932 66 D CB 1.322 42.286 40.800 0.274 0.000 1.420 66 D HN 0.338 nan 8.370 nan 0.000 0.471 67 N N 0.202 118.969 118.700 0.110 0.000 2.365 67 N HA 0.289 5.028 4.740 -0.001 0.000 0.265 67 N C 1.015 176.595 175.510 0.117 0.000 1.288 67 N CA 1.561 54.663 53.050 0.086 0.000 0.869 67 N CB 0.338 38.862 38.487 0.062 0.000 1.071 67 N HN 0.686 nan 8.380 nan 0.000 0.480 68 G N 0.976 109.836 108.800 0.100 0.000 2.155 68 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 68 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 68 G C -0.260 174.759 174.900 0.199 0.000 0.983 68 G CA 0.431 45.599 45.100 0.114 0.000 0.676 68 G HN 0.595 nan 8.290 nan 0.000 0.528 69 F N 0.903 120.854 119.950 0.002 0.000 2.596 69 F HA 0.617 5.143 4.527 -0.001 0.000 0.311 69 F C -0.770 175.007 175.800 -0.038 0.000 1.116 69 F CA -1.070 56.926 58.000 -0.006 0.000 0.957 69 F CB 1.606 40.616 39.000 0.017 0.000 1.250 69 F HN 0.403 nan 8.300 nan 0.000 0.444 70 N N 3.651 121.842 118.700 -0.847 0.000 2.331 70 N HA 0.594 5.334 4.740 -0.001 0.000 0.280 70 N C -2.085 172.839 175.510 -0.976 0.000 1.155 70 N CA -1.007 51.536 53.050 -0.846 0.000 0.822 70 N CB 2.255 40.522 38.487 -0.367 0.000 1.619 70 N HN 0.813 nan 8.380 nan 0.000 0.476 71 R N 1.086 121.131 120.500 -0.758 0.000 2.515 71 R HA 0.240 4.580 4.340 -0.001 0.000 0.278 71 R C -1.651 174.498 176.300 -0.251 0.000 1.107 71 R CA -0.561 55.275 56.100 -0.440 0.000 0.945 71 R CB 1.547 31.608 30.300 -0.398 0.000 1.219 71 R HN 0.773 nan 8.270 nan 0.000 0.434 72 Q N 4.010 123.723 119.800 -0.145 0.000 2.322 72 Q HA 0.343 4.683 4.340 -0.001 0.000 0.256 72 Q C -1.264 174.726 176.000 -0.016 0.000 0.960 72 Q CA -0.467 55.291 55.803 -0.074 0.000 0.934 72 Q CB 1.397 30.106 28.738 -0.049 0.000 1.200 72 Q HN 0.385 nan 8.270 nan 0.000 0.435 73 V N 4.208 124.129 119.914 0.012 0.000 2.513 73 V HA 0.202 4.322 4.120 -0.001 0.000 0.299 73 V C -0.273 175.890 176.094 0.114 0.000 1.035 73 V CA -0.794 61.553 62.300 0.078 0.000 0.889 73 V CB 1.578 33.463 31.823 0.103 0.000 0.988 73 V HN 0.747 nan 8.190 nan 0.000 0.440 74 H N 4.166 123.271 119.070 0.058 0.000 2.690 74 H HA 0.480 5.035 4.556 -0.001 0.000 0.289 74 H C -1.107 174.277 175.328 0.093 0.000 1.089 74 H CA -0.273 55.809 56.048 0.057 0.000 1.299 74 H CB 1.477 31.268 29.762 0.048 0.000 1.405 74 H HN 0.436 nan 8.280 nan 0.000 0.463 75 V N 5.226 125.034 119.914 -0.176 0.000 2.439 75 V HA 0.212 4.332 4.120 -0.001 0.000 0.282 75 V C 0.150 176.195 176.094 -0.081 0.000 1.039 75 V CA -0.460 61.820 62.300 -0.034 0.000 0.913 75 V CB 1.386 33.145 31.823 -0.107 0.000 0.983 75 V HN 0.851 nan 8.190 nan 0.000 0.460 76 S N 4.744 120.504 115.700 0.100 0.000 2.542 76 S HA 0.745 5.215 4.470 -0.001 0.000 0.293 76 S C -0.646 174.057 174.600 0.173 0.000 1.089 76 S CA -0.991 57.271 58.200 0.104 0.000 0.961 76 S CB 1.595 64.852 63.200 0.096 0.000 1.062 76 S HN 0.524 nan 8.310 nan 0.000 0.483 77 M N 2.518 122.165 119.600 0.077 0.000 2.239 77 M HA 0.148 4.628 4.480 -0.001 0.000 0.348 77 M C -0.116 176.066 176.300 -0.197 0.000 1.239 77 M CA 0.027 55.204 55.300 -0.205 0.000 1.114 77 M CB 0.074 32.561 32.600 -0.188 0.000 1.641 77 M HN 0.688 nan 8.290 nan 0.000 0.453 78 D N 3.204 123.433 120.400 -0.285 0.000 2.352 78 D HA 0.111 4.751 4.640 -0.001 0.000 0.245 78 D C 0.164 176.357 176.300 -0.179 0.000 1.224 78 D CA 0.175 54.079 54.000 -0.159 0.000 0.879 78 D CB 0.739 41.483 40.800 -0.094 0.000 1.057 78 D HN 0.479 nan 8.370 nan 0.000 0.491 79 K N 2.350 122.658 120.400 -0.154 0.000 2.444 79 K HA 0.132 4.452 4.320 -0.001 0.000 0.193 79 K C 1.529 178.044 176.600 -0.142 0.000 1.024 79 K CA 0.191 56.391 56.287 -0.146 0.000 1.077 79 K CB 0.753 33.174 32.500 -0.132 0.000 0.833 79 K HN 0.246 nan 8.250 nan 0.000 0.517 80 R N -0.235 120.164 120.500 -0.169 0.000 2.189 80 R HA 0.088 4.428 4.340 -0.001 0.000 0.203 80 R C 0.190 176.463 176.300 -0.045 0.000 1.012 80 R CA 0.640 56.608 56.100 -0.221 0.000 1.015 80 R CB 0.507 30.431 30.300 -0.627 0.000 0.938 80 R HN -0.092 nan 8.270 nan 0.000 0.472 81 T N 1.290 115.857 114.554 0.021 0.000 2.807 81 T HA 0.384 4.733 4.350 -0.001 0.000 0.279 81 T C -0.651 174.049 174.700 0.001 0.000 0.993 81 T CA -0.680 61.500 62.100 0.133 0.000 0.970 81 T CB 2.233 71.272 68.868 0.286 0.000 0.950 81 T HN -0.062 nan 8.240 nan 0.000 0.441 82 K N 2.441 122.794 120.400 -0.079 0.000 2.203 82 K HA 0.763 5.083 4.320 -0.001 0.000 0.251 82 K C -0.892 175.706 176.600 -0.002 0.000 0.944 82 K CA -0.757 55.388 56.287 -0.236 0.000 0.829 82 K CB 1.961 33.974 32.500 -0.812 0.000 1.125 82 K HN 0.470 nan 8.250 nan 0.000 0.430 83 I N 2.283 122.895 120.570 0.071 0.000 2.571 83 I HA 0.191 4.361 4.170 -0.001 0.000 0.289 83 I C -1.224 175.026 176.117 0.221 0.000 1.115 83 I CA -0.861 60.577 61.300 0.230 0.000 1.045 83 I CB 2.277 40.384 38.000 0.178 0.000 1.238 83 I HN 0.417 nan 8.210 nan 0.000 0.424 84 Q N 5.862 125.843 119.800 0.302 0.000 2.337 84 Q HA 0.686 5.026 4.340 -0.001 0.000 0.266 84 Q C -1.317 174.834 176.000 0.253 0.000 1.023 84 Q CA -0.372 55.587 55.803 0.260 0.000 0.829 84 Q CB 2.912 31.815 28.738 0.274 0.000 1.306 84 Q HN 0.501 nan 8.270 nan 0.000 0.449 85 L N 2.714 124.071 121.223 0.222 0.000 2.294 85 L HA 0.424 4.763 4.340 -0.001 0.000 0.283 85 L C -0.617 176.366 176.870 0.187 0.000 1.015 85 L CA -0.628 54.335 54.840 0.204 0.000 0.831 85 L CB 1.139 43.313 42.059 0.193 0.000 1.217 85 L HN 0.709 nan 8.230 nan 0.000 0.420 86 D N 3.192 123.711 120.400 0.199 0.000 2.686 86 D HA -0.237 4.403 4.640 -0.001 0.000 0.235 86 D C 0.295 176.682 176.300 0.145 0.000 1.160 86 D CA 0.780 54.884 54.000 0.173 0.000 0.645 86 D CB -0.715 40.168 40.800 0.137 0.000 1.039 86 D HN 0.892 nan 8.370 nan 0.000 0.423 87 N N -1.191 117.606 118.700 0.162 0.000 2.863 87 N HA -0.204 4.536 4.740 -0.001 0.000 0.245 87 N C -0.369 175.224 175.510 0.137 0.000 1.001 87 N CA 1.355 54.490 53.050 0.141 0.000 0.901 87 N CB -0.834 37.713 38.487 0.101 0.000 1.124 87 N HN 0.630 nan 8.380 nan 0.000 0.582 88 E N 1.199 121.489 120.200 0.150 0.000 2.194 88 E HA 0.172 4.522 4.350 -0.001 0.000 0.284 88 E C 0.269 176.962 176.600 0.155 0.000 1.035 88 E CA -0.378 56.110 56.400 0.146 0.000 0.836 88 E CB 0.997 30.795 29.700 0.162 0.000 1.070 88 E HN 0.161 nan 8.360 nan 0.000 0.401 89 N N 2.856 121.632 118.700 0.126 0.000 2.488 89 N HA 0.116 4.856 4.740 -0.001 0.000 0.274 89 N C -1.204 174.364 175.510 0.096 0.000 1.111 89 N CA -0.184 52.932 53.050 0.111 0.000 0.974 89 N CB 0.812 39.348 38.487 0.082 0.000 1.089 89 N HN 0.111 nan 8.380 nan 0.000 0.465 90 V N 4.286 124.259 119.914 0.097 0.000 2.487 90 V HA 0.415 4.535 4.120 -0.001 0.000 0.298 90 V C -0.048 176.065 176.094 0.031 0.000 1.028 90 V CA -0.700 61.645 62.300 0.075 0.000 0.860 90 V CB 1.541 33.459 31.823 0.158 0.000 0.991 90 V HN 0.670 nan 8.190 nan 0.000 0.427 91 R N 4.282 124.784 120.500 0.004 0.000 2.532 91 R HA 0.764 5.104 4.340 -0.001 0.000 0.295 91 R C -1.133 175.113 176.300 -0.091 0.000 0.968 91 R CA -0.647 55.399 56.100 -0.091 0.000 0.916 91 R CB 1.778 32.004 30.300 -0.123 0.000 1.124 91 R HN 0.562 nan 8.270 nan 0.000 0.463 92 L N 2.715 123.800 121.223 -0.231 0.000 2.334 92 L HA 0.627 4.966 4.340 -0.001 0.000 0.272 92 L C -0.858 175.761 176.870 -0.418 0.000 1.020 92 L CA -0.728 54.049 54.840 -0.105 0.000 0.812 92 L CB 0.939 43.000 42.059 0.005 0.000 1.264 92 L HN 0.433 nan 8.230 nan 0.000 0.439 93 F N -0.097 119.935 119.950 0.137 0.000 2.588 93 F HA 0.437 4.964 4.527 -0.001 0.000 0.310 93 F C -0.295 175.657 175.800 0.253 0.000 1.082 93 F CA -0.660 57.428 58.000 0.146 0.000 0.929 93 F CB 1.904 40.946 39.000 0.070 0.000 1.254 93 F HN 0.381 nan 8.300 nan 0.000 0.455 94 N N -0.276 118.652 118.700 0.379 0.000 2.272 94 N HA 0.656 5.395 4.740 -0.001 0.000 0.305 94 N C -0.241 175.449 175.510 0.299 0.000 1.103 94 N CA -0.917 52.313 53.050 0.300 0.000 0.791 94 N CB 2.075 40.682 38.487 0.200 0.000 1.356 94 N HN 0.805 nan 8.380 nan 0.000 0.486 95 G N 0.335 109.297 108.800 0.270 0.000 2.588 95 G HA2 0.309 4.269 3.960 -0.001 0.000 0.281 95 G HA3 0.309 4.269 3.960 -0.001 0.000 0.281 95 G C -0.125 174.885 174.900 0.185 0.000 1.236 95 G CA -0.472 44.764 45.100 0.227 0.000 0.969 95 G HN 0.443 nan 8.290 nan 0.000 0.504 96 R N -0.571 120.030 120.500 0.168 0.000 2.784 96 R HA 0.078 4.417 4.340 -0.001 0.000 0.266 96 R C 0.856 177.216 176.300 0.100 0.000 1.044 96 R CA -0.386 55.788 56.100 0.123 0.000 1.151 96 R CB 0.407 30.767 30.300 0.100 0.000 1.037 96 R HN 0.480 nan 8.270 nan 0.000 0.478 97 D N 1.838 122.277 120.400 0.066 0.000 2.133 97 D HA -0.237 4.403 4.640 -0.001 0.000 0.192 97 D C 1.685 178.009 176.300 0.040 0.000 1.001 97 D CA 1.876 55.897 54.000 0.036 0.000 0.844 97 D CB -0.050 40.744 40.800 -0.010 0.000 0.944 97 D HN 0.561 nan 8.370 nan 0.000 0.447 98 K N 0.478 120.902 120.400 0.040 0.000 2.360 98 K HA -0.119 4.200 4.320 -0.001 0.000 0.201 98 K C 0.842 177.484 176.600 0.070 0.000 1.046 98 K CA 1.221 57.533 56.287 0.043 0.000 0.945 98 K CB 0.079 32.598 32.500 0.032 0.000 0.750 98 K HN -0.032 nan 8.250 nan 0.000 0.464 99 D N 1.276 121.730 120.400 0.090 0.000 2.317 99 D HA -0.025 4.614 4.640 -0.001 0.000 0.211 99 D C -0.080 176.312 176.300 0.154 0.000 0.966 99 D CA 0.591 54.657 54.000 0.110 0.000 0.876 99 D CB 0.044 40.916 40.800 0.120 0.000 0.927 99 D HN 0.142 nan 8.370 nan 0.000 0.519 100 S N 0.086 115.884 115.700 0.164 0.000 3.410 100 S HA -0.155 4.314 4.470 -0.001 0.000 0.369 100 S C -0.118 174.674 174.600 0.319 0.000 0.961 100 S CA 0.581 58.924 58.200 0.238 0.000 1.248 100 S CB -1.400 61.954 63.200 0.256 0.000 0.914 100 S HN 0.203 nan 8.310 nan 0.000 0.497 101 T N 2.695 117.385 114.554 0.227 0.000 2.952 101 T HA 0.594 4.943 4.350 -0.001 0.000 0.305 101 T C -0.298 174.460 174.700 0.096 0.000 1.064 101 T CA -0.957 61.230 62.100 0.144 0.000 1.008 101 T CB 1.634 70.537 68.868 0.058 0.000 1.078 101 T HN 0.609 nan 8.240 nan 0.000 0.459 102 N N 1.351 120.041 118.700 -0.017 0.000 2.732 102 N HA 0.701 5.440 4.740 -0.001 0.000 0.259 102 N C -1.684 173.751 175.510 -0.126 0.000 1.402 102 N CA -0.933 52.148 53.050 0.051 0.000 0.829 102 N CB 1.845 40.448 38.487 0.192 0.000 1.495 102 N HN 0.395 nan 8.380 nan 0.000 0.511 103 F N -0.382 119.692 119.950 0.207 0.000 2.629 103 F HA 0.650 5.176 4.527 -0.001 0.000 0.316 103 F C -0.390 175.547 175.800 0.229 0.000 1.081 103 F CA -0.960 57.152 58.000 0.186 0.000 0.954 103 F CB 2.188 41.256 39.000 0.115 0.000 1.337 103 F HN 0.226 nan 8.300 nan 0.000 0.474 104 I N 2.641 123.440 120.570 0.380 0.000 2.533 104 I HA 0.474 4.644 4.170 -0.001 0.000 0.290 104 I C -1.680 174.495 176.117 0.098 0.000 1.056 104 I CA -0.864 60.585 61.300 0.248 0.000 1.057 104 I CB 2.363 40.507 38.000 0.239 0.000 1.240 104 I HN 0.306 nan 8.210 nan 0.000 0.423 105 L N 5.474 126.721 121.223 0.040 0.000 2.441 105 L HA 0.848 5.188 4.340 -0.001 0.000 0.270 105 L C -0.331 176.420 176.870 -0.199 0.000 0.973 105 L CA 0.195 54.974 54.840 -0.102 0.000 0.842 105 L CB 1.602 43.703 42.059 0.070 0.000 1.239 105 L HN 0.662 nan 8.230 nan 0.000 0.406 106 G N 2.198 110.713 108.800 -0.476 0.000 2.735 106 G HA2 0.340 4.300 3.960 -0.001 0.000 0.301 106 G HA3 0.340 4.300 3.960 -0.001 0.000 0.301 106 G C -0.214 174.660 174.900 -0.043 0.000 1.279 106 G CA -0.401 44.541 45.100 -0.262 0.000 1.019 106 G HN 0.548 nan 8.290 nan 0.000 0.497 107 D N -0.507 119.916 120.400 0.038 0.000 2.218 107 D HA -0.037 4.602 4.640 -0.001 0.000 0.204 107 D C 1.890 178.139 176.300 -0.086 0.000 0.976 107 D CA 0.944 54.985 54.000 0.067 0.000 0.853 107 D CB 0.445 41.282 40.800 0.061 0.000 0.939 107 D HN 0.354 nan 8.370 nan 0.000 0.481 108 E N -0.909 119.266 120.200 -0.041 0.000 2.431 108 E HA 0.136 4.486 4.350 -0.001 0.000 0.200 108 E C 0.277 176.807 176.600 -0.117 0.000 0.995 108 E CA 0.014 56.386 56.400 -0.047 0.000 0.915 108 E CB 0.541 30.361 29.700 0.201 0.000 0.930 108 E HN 0.347 nan 8.360 nan 0.000 0.496 109 F N -1.300 118.506 119.950 -0.239 0.000 2.741 109 F HA 0.741 5.267 4.527 -0.001 0.000 0.311 109 F C -1.757 174.121 175.800 0.131 0.000 1.149 109 F CA -1.708 56.119 58.000 -0.290 0.000 0.930 109 F CB 0.860 39.272 39.000 -0.981 0.000 1.312 109 F HN -0.188 nan 8.300 nan 0.000 0.450 110 A N 1.271 124.136 122.820 0.075 0.000 2.572 110 A HA 0.865 5.185 4.320 -0.001 0.000 0.295 110 A C -2.135 175.560 177.584 0.186 0.000 1.072 110 A CA -0.848 51.191 52.037 0.004 0.000 0.691 110 A CB 1.837 20.814 19.000 -0.038 0.000 1.291 110 A HN 1.251 nan 8.150 nan 0.000 0.404 111 V N 1.525 121.558 119.914 0.198 0.000 2.760 111 V HA 0.623 4.743 4.120 -0.001 0.000 0.309 111 V C -1.129 175.094 176.094 0.216 0.000 1.077 111 V CA -0.511 61.928 62.300 0.230 0.000 0.910 111 V CB 1.616 33.587 31.823 0.247 0.000 1.008 111 V HN 0.992 nan 8.190 nan 0.000 0.424 112 L N 4.729 126.054 121.223 0.169 0.000 2.333 112 L HA 0.774 5.113 4.340 -0.001 0.000 0.280 112 L C -0.497 176.388 176.870 0.025 0.000 1.004 112 L CA -0.216 54.621 54.840 -0.004 0.000 0.820 112 L CB 1.406 43.507 42.059 0.070 0.000 1.247 112 L HN 0.763 nan 8.230 nan 0.000 0.416 113 R N 5.004 125.456 120.500 -0.080 0.000 2.532 113 R HA 0.706 5.045 4.340 -0.001 0.000 0.297 113 R C -1.830 174.448 176.300 -0.037 0.000 0.984 113 R CA -0.533 55.499 56.100 -0.112 0.000 0.884 113 R CB 1.220 31.450 30.300 -0.116 0.000 1.182 113 R HN 0.719 nan 8.270 nan 0.000 0.442 114 F N 1.073 120.924 119.950 -0.165 0.000 2.643 114 F HA 0.536 5.063 4.527 -0.000 0.000 0.314 114 F C -1.900 173.770 175.800 -0.217 0.000 1.096 114 F CA -1.333 56.616 58.000 -0.085 0.000 0.953 114 F CB 0.957 39.961 39.000 0.007 0.000 1.345 114 F HN 0.243 nan 8.300 nan 0.000 0.468 115 Y N 1.262 121.671 120.300 0.182 0.000 2.330 115 Y HA 0.654 5.203 4.550 -0.001 0.000 0.336 115 Y C -0.026 175.985 175.900 0.186 0.000 1.036 115 Y CA -0.596 57.548 58.100 0.074 0.000 1.125 115 Y CB 1.681 40.179 38.460 0.064 0.000 1.194 115 Y HN 0.652 nan 8.280 nan 0.000 0.469 116 R N 2.544 123.150 120.500 0.176 0.000 2.514 116 R HA 0.293 4.632 4.340 -0.001 0.000 0.296 116 R C -0.832 175.514 176.300 0.078 0.000 1.012 116 R CA -0.658 55.531 56.100 0.149 0.000 0.897 116 R CB 0.461 30.795 30.300 0.056 0.000 1.184 116 R HN 0.937 nan 8.270 nan 0.000 0.440 117 N N 2.741 121.500 118.700 0.099 0.000 2.707 117 N HA -0.249 4.491 4.740 -0.001 0.000 0.253 117 N C 0.482 176.027 175.510 0.058 0.000 0.998 117 N CA 1.088 54.179 53.050 0.068 0.000 0.751 117 N CB -0.648 37.864 38.487 0.041 0.000 0.920 117 N HN 1.069 nan 8.380 nan 0.000 0.539 118 G N -1.290 107.567 108.800 0.094 0.000 2.159 118 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.256 118 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.256 118 G C -0.298 174.651 174.900 0.082 0.000 0.977 118 G CA 0.578 45.730 45.100 0.086 0.000 0.652 118 G HN 0.579 nan 8.290 nan 0.000 0.531 119 E N -0.100 120.134 120.200 0.057 0.000 2.238 119 E HA 0.559 4.908 4.350 -0.001 0.000 0.267 119 E C -0.692 175.767 176.600 -0.234 0.000 0.887 119 E CA -0.576 55.786 56.400 -0.062 0.000 0.769 119 E CB 1.934 31.572 29.700 -0.104 0.000 1.187 119 E HN 0.108 nan 8.360 nan 0.000 0.416 120 S N 2.610 118.066 115.700 -0.406 0.000 2.452 120 S HA 0.432 4.902 4.470 -0.001 0.000 0.284 120 S C -0.560 173.681 174.600 -0.598 0.000 1.171 120 S CA -0.475 57.252 58.200 -0.788 0.000 1.064 120 S CB -0.024 62.766 63.200 -0.683 0.000 0.967 120 S HN 0.362 nan 8.310 nan 0.000 0.484 121 I N 4.039 124.160 120.570 -0.747 0.000 2.406 121 I HA 0.340 4.509 4.170 -0.001 0.000 0.290 121 I C -0.146 175.577 176.117 -0.656 0.000 0.999 121 I CA -0.328 60.539 61.300 -0.722 0.000 1.124 121 I CB 2.186 39.636 38.000 -0.917 0.000 1.289 121 I HN 0.441 nan 8.210 nan 0.000 0.441 122 S N 4.888 120.300 115.700 -0.480 0.000 2.454 122 S HA 0.569 5.039 4.470 -0.001 0.000 0.306 122 S C -1.066 173.323 174.600 -0.352 0.000 1.100 122 S CA -0.470 57.550 58.200 -0.301 0.000 1.087 122 S CB 0.829 63.896 63.200 -0.220 0.000 1.019 122 S HN 0.277 nan 8.310 nan 0.000 0.480 123 Y N 2.225 122.468 120.300 -0.095 0.000 2.331 123 Y HA 0.545 5.095 4.550 -0.001 0.000 0.338 123 Y C -0.012 175.911 175.900 0.038 0.000 0.976 123 Y CA -0.601 57.485 58.100 -0.024 0.000 1.137 123 Y CB 0.735 39.216 38.460 0.035 0.000 1.172 123 Y HN 0.468 nan 8.280 nan 0.000 0.478 124 I N 3.551 124.213 120.570 0.154 0.000 2.410 124 I HA 0.664 4.834 4.170 -0.001 0.000 0.286 124 I C -0.629 175.660 176.117 0.286 0.000 1.009 124 I CA -0.715 60.719 61.300 0.223 0.000 1.111 124 I CB 1.486 39.613 38.000 0.212 0.000 1.262 124 I HN 0.657 nan 8.210 nan 0.000 0.443 125 A N 6.205 129.208 122.820 0.305 0.000 2.335 125 A HA 0.740 5.059 4.320 -0.001 0.000 0.304 125 A C -1.542 176.250 177.584 0.347 0.000 1.118 125 A CA -0.340 51.893 52.037 0.326 0.000 0.757 125 A CB 0.609 19.770 19.000 0.269 0.000 1.188 125 A HN 0.539 nan 8.150 nan 0.000 0.460 126 Y N 1.251 121.690 120.300 0.232 0.000 2.361 126 Y HA 0.376 4.926 4.550 -0.001 0.000 0.332 126 Y C 1.504 177.432 175.900 0.047 0.000 1.101 126 Y CA -0.421 57.776 58.100 0.162 0.000 1.137 126 Y CB 2.075 40.604 38.460 0.115 0.000 1.207 126 Y HN 0.853 nan 8.280 nan 0.000 0.463 127 K N 0.787 121.115 120.400 -0.119 0.000 2.025 127 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 127 K C -0.183 176.409 176.600 -0.013 0.000 1.049 127 K CA 1.139 57.252 56.287 -0.291 0.000 0.933 127 K CB 0.193 32.253 32.500 -0.734 0.000 0.714 127 K HN 0.566 nan 8.250 nan 0.000 0.438 128 E N 0.302 120.531 120.200 0.050 0.000 2.259 128 E HA 0.077 4.427 4.350 -0.001 0.000 0.281 128 E C 0.553 177.226 176.600 0.122 0.000 1.027 128 E CA 0.162 56.608 56.400 0.077 0.000 0.838 128 E CB 1.599 31.343 29.700 0.073 0.000 1.066 128 E HN 0.319 nan 8.360 nan 0.000 0.401 129 A N 3.483 126.382 122.820 0.132 0.000 1.892 129 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 129 A C 2.011 179.741 177.584 0.242 0.000 1.188 129 A CA 1.975 54.142 52.037 0.217 0.000 0.631 129 A CB -0.279 18.829 19.000 0.181 0.000 0.822 129 A HN 0.494 nan 8.150 nan 0.000 0.447 130 Q N -1.501 118.402 119.800 0.171 0.000 2.084 130 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 130 Q C 1.972 177.992 176.000 0.034 0.000 0.978 130 Q CA 2.105 57.981 55.803 0.121 0.000 0.844 130 Q CB -0.368 28.423 28.738 0.088 0.000 0.898 130 Q HN 0.572 nan 8.270 nan 0.000 0.426 131 M N -0.920 118.696 119.600 0.025 0.000 2.132 131 M HA -0.029 4.451 4.480 -0.001 0.000 0.263 131 M C 1.859 178.066 176.300 -0.156 0.000 1.065 131 M CA 1.471 56.729 55.300 -0.071 0.000 1.122 131 M CB -0.359 32.233 32.600 -0.013 0.000 1.365 131 M HN 0.382 nan 8.290 nan 0.000 0.411 132 M N 0.146 119.742 119.600 -0.007 0.000 2.117 132 M HA -0.167 4.313 4.480 -0.001 0.000 0.262 132 M C 1.868 178.140 176.300 -0.047 0.000 1.065 132 M CA 1.842 57.155 55.300 0.021 0.000 1.114 132 M CB -0.913 31.775 32.600 0.146 0.000 1.361 132 M HN 0.544 nan 8.290 nan 0.000 0.408 133 N N -0.304 118.356 118.700 -0.067 0.000 2.120 133 N HA -0.236 4.503 4.740 -0.001 0.000 0.188 133 N C 1.821 177.246 175.510 -0.142 0.000 1.024 133 N CA 1.636 54.579 53.050 -0.178 0.000 0.852 133 N CB -0.173 38.096 38.487 -0.364 0.000 1.003 133 N HN 0.651 nan 8.380 nan 0.000 0.424 134 E N 0.515 120.631 120.200 -0.139 0.000 2.051 134 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 134 E C 2.119 178.596 176.600 -0.206 0.000 0.991 134 E CA 0.863 57.174 56.400 -0.148 0.000 0.799 134 E CB 0.025 29.641 29.700 -0.140 0.000 0.748 134 E HN 0.316 nan 8.360 nan 0.000 0.449 135 I N 1.300 121.675 120.570 -0.324 0.000 2.226 135 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 135 I C 2.614 178.708 176.117 -0.038 0.000 1.100 135 I CA 1.301 62.365 61.300 -0.392 0.000 1.374 135 I CB -1.361 36.331 38.000 -0.514 0.000 1.057 135 I HN 0.217 nan 8.210 nan 0.000 0.413 136 A N 0.573 123.410 122.820 0.028 0.000 1.902 136 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 136 A C 2.216 179.887 177.584 0.145 0.000 1.181 136 A CA 1.541 53.675 52.037 0.162 0.000 0.623 136 A CB -0.603 18.444 19.000 0.077 0.000 0.818 136 A HN 0.479 nan 8.150 nan 0.000 0.443 137 E N -1.410 118.809 120.200 0.031 0.000 2.110 137 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 137 E C 1.746 178.328 176.600 -0.030 0.000 0.988 137 E CA 1.164 57.566 56.400 0.002 0.000 0.804 137 E CB -0.272 29.409 29.700 -0.031 0.000 0.745 137 E HN 0.751 nan 8.360 nan 0.000 0.458 138 F N 0.305 120.113 119.950 -0.237 0.000 2.102 138 F HA -0.262 4.265 4.527 -0.001 0.000 0.298 138 F C 1.821 177.405 175.800 -0.359 0.000 1.105 138 F CA 1.532 59.312 58.000 -0.367 0.000 1.239 138 F CB -0.138 38.504 39.000 -0.595 0.000 0.991 138 F HN -0.013 nan 8.300 nan 0.000 0.474 139 Y N -0.338 119.809 120.300 -0.254 0.000 2.457 139 Y HA -0.006 4.543 4.550 -0.001 0.000 0.292 139 Y C 2.425 177.931 175.900 -0.656 0.000 1.125 139 Y CA 0.417 58.266 58.100 -0.418 0.000 1.254 139 Y CB -0.454 37.927 38.460 -0.132 0.000 1.012 139 Y HN 0.184 nan 8.280 nan 0.000 0.555 140 A N 0.137 122.741 122.820 -0.361 0.000 1.929 140 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 140 A C 2.385 179.884 177.584 -0.142 0.000 1.176 140 A CA 1.225 53.062 52.037 -0.334 0.000 0.628 140 A CB -0.994 18.021 19.000 0.025 0.000 0.816 140 A HN 0.382 nan 8.150 nan 0.000 0.444 141 A N 0.739 123.447 122.820 -0.186 0.000 1.903 141 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 141 A C 0.258 177.729 177.584 -0.188 0.000 1.191 141 A CA 2.100 54.036 52.037 -0.169 0.000 0.638 141 A CB -1.816 17.057 19.000 -0.212 0.000 0.823 141 A HN 0.468 nan 8.150 nan 0.000 0.451 142 P HA -0.078 nan 4.420 nan 0.000 0.220 142 P C 0.805 177.867 177.300 -0.397 0.000 1.148 142 P CA 0.841 63.715 63.100 -0.378 0.000 0.803 142 P CB -0.166 31.213 31.700 -0.534 0.000 0.782 143 F N -0.340 119.489 119.950 -0.202 0.000 2.661 143 F HA 0.006 4.532 4.527 -0.001 0.000 0.298 143 F C 2.038 177.787 175.800 -0.085 0.000 1.137 143 F CA 0.666 58.584 58.000 -0.137 0.000 1.454 143 F CB -0.400 38.513 39.000 -0.145 0.000 1.103 143 F HN -0.212 nan 8.300 nan 0.000 0.577 144 K N 0.816 121.248 120.400 0.053 0.000 2.097 144 K HA -0.165 4.154 4.320 -0.001 0.000 0.205 144 K C 2.059 178.660 176.600 0.001 0.000 1.050 144 K CA 0.849 57.153 56.287 0.028 0.000 0.938 144 K CB -0.474 32.025 32.500 -0.002 0.000 0.718 144 K HN 0.265 nan 8.250 nan 0.000 0.442 145 K N 1.428 121.807 120.400 -0.035 0.000 2.044 145 K HA -0.124 4.196 4.320 -0.001 0.000 0.210 145 K C 0.896 177.481 176.600 -0.025 0.000 1.049 145 K CA 1.672 57.933 56.287 -0.044 0.000 0.927 145 K CB -0.152 32.302 32.500 -0.078 0.000 0.713 145 K HN 0.335 nan 8.250 nan 0.000 0.443 146 T N -1.780 112.765 114.554 -0.015 0.000 2.884 146 T HA 0.415 4.765 4.350 -0.001 0.000 0.277 146 T C -0.343 174.383 174.700 0.044 0.000 0.976 146 T CA -0.922 61.184 62.100 0.010 0.000 0.956 146 T CB 1.635 70.510 68.868 0.010 0.000 1.113 146 T HN 0.230 nan 8.240 nan 0.000 0.554 147 R N -0.589 119.938 120.500 0.045 0.000 3.130 147 R HA 0.535 4.875 4.340 -0.001 0.000 0.261 147 R C 0.325 176.651 176.300 0.042 0.000 1.683 147 R CA -0.100 56.031 56.100 0.052 0.000 1.095 147 R CB 0.286 30.607 30.300 0.035 0.000 1.421 147 R HN 0.839 nan 8.270 nan 0.000 0.454 148 A N 3.889 126.742 122.820 0.056 0.000 1.887 148 A HA 0.336 4.655 4.320 -0.001 0.000 0.210 148 A C 0.402 178.001 177.584 0.026 0.000 1.221 148 A CA 0.703 52.764 52.037 0.040 0.000 0.635 148 A CB 0.147 19.180 19.000 0.054 0.000 0.881 148 A HN 0.544 nan 8.150 nan 0.000 0.456 149 I N -1.142 119.442 120.570 0.023 0.000 8.987 149 I HA -0.263 3.906 4.170 -0.001 0.000 0.126 149 I C 0.512 176.631 176.117 0.002 0.000 1.864 149 I CA 1.294 62.597 61.300 0.006 0.000 2.042 149 I CB -2.079 35.923 38.000 0.004 0.000 3.930 149 I HN 0.890 nan 8.210 nan 0.000 0.170 150 N N 0.456 119.150 118.700 -0.011 0.000 2.965 150 N HA -0.208 4.531 4.740 -0.001 0.000 0.232 150 N C 1.229 176.724 175.510 -0.025 0.000 0.913 150 N CA 1.310 54.351 53.050 -0.016 0.000 0.981 150 N CB -0.430 38.054 38.487 -0.005 0.000 1.077 150 N HN 0.834 nan 8.380 nan 0.000 0.589 151 E N 0.707 120.890 120.200 -0.028 0.000 2.158 151 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 151 E C 1.554 178.072 176.600 -0.137 0.000 0.982 151 E CA 0.975 57.339 56.400 -0.060 0.000 0.823 151 E CB 0.110 29.790 29.700 -0.033 0.000 0.766 151 E HN 0.329 nan 8.360 nan 0.000 0.468 152 K N 1.003 121.337 120.400 -0.110 0.000 2.147 152 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 152 K C 1.802 178.310 176.600 -0.154 0.000 1.049 152 K CA 1.247 57.449 56.287 -0.143 0.000 0.936 152 K CB 0.089 32.531 32.500 -0.097 0.000 0.722 152 K HN 0.124 nan 8.250 nan 0.000 0.446 153 E N -1.042 119.091 120.200 -0.112 0.000 2.268 153 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 153 E C 1.615 178.134 176.600 -0.134 0.000 0.995 153 E CA 0.822 57.155 56.400 -0.111 0.000 0.836 153 E CB 0.083 29.738 29.700 -0.075 0.000 0.763 153 E HN 0.388 nan 8.360 nan 0.000 0.491 154 A N 0.472 123.217 122.820 -0.125 0.000 1.911 154 A HA 0.083 4.403 4.320 -0.001 0.000 0.212 154 A C 0.539 178.038 177.584 -0.141 0.000 1.189 154 A CA 0.363 52.340 52.037 -0.100 0.000 0.639 154 A CB 0.339 19.338 19.000 -0.002 0.000 0.839 154 A HN 0.234 nan 8.150 nan 0.000 0.449 155 F N -0.709 118.962 119.950 -0.465 0.000 2.605 155 F HA 0.600 5.126 4.527 -0.001 0.000 0.320 155 F C -1.161 174.407 175.800 -0.387 0.000 1.159 155 F CA -0.771 56.915 58.000 -0.523 0.000 0.999 155 F CB 1.405 39.829 39.000 -0.961 0.000 1.258 155 F HN 0.121 nan 8.300 nan 0.000 0.464 156 E N 5.319 124.845 120.200 -1.123 0.000 2.308 156 E HA 0.456 4.805 4.350 -0.001 0.000 0.275 156 E C -1.547 174.487 176.600 -0.943 0.000 0.890 156 E CA -0.734 55.138 56.400 -0.879 0.000 0.754 156 E CB 1.739 31.186 29.700 -0.420 0.000 1.207 156 E HN 0.790 nan 8.360 nan 0.000 0.426 157 C N 4.685 123.554 119.300 -0.719 0.000 2.585 157 C HA 0.384 4.843 4.460 -0.001 0.000 0.406 157 C C 0.127 174.839 174.990 -0.462 0.000 1.312 157 C CA -0.629 58.076 59.018 -0.522 0.000 1.924 157 C CB -0.729 26.787 27.740 -0.374 0.000 2.578 157 C HN 0.469 nan 8.230 nan 0.000 0.580 158 I N 3.474 123.767 120.570 -0.462 0.000 2.377 158 I HA 0.422 4.592 4.170 -0.001 0.000 0.293 158 I C -0.276 175.586 176.117 -0.424 0.000 0.987 158 I CA -0.339 60.804 61.300 -0.262 0.000 1.185 158 I CB 0.691 38.659 38.000 -0.053 0.000 1.341 158 I HN 0.619 nan 8.210 nan 0.000 0.455 159 Y N 2.666 122.985 120.300 0.031 0.000 2.549 159 Y HA 0.324 4.873 4.550 -0.001 0.000 0.339 159 Y C 0.159 176.085 175.900 0.044 0.000 1.053 159 Y CA -1.144 56.983 58.100 0.045 0.000 1.105 159 Y CB 1.205 39.686 38.460 0.035 0.000 1.258 159 Y HN 0.539 nan 8.280 nan 0.000 0.478 160 D N -0.973 119.553 120.400 0.209 0.000 2.302 160 D HA 0.213 4.852 4.640 -0.001 0.000 0.248 160 D C -0.063 176.298 176.300 0.103 0.000 1.094 160 D CA -0.492 53.582 54.000 0.123 0.000 0.897 160 D CB 1.687 42.546 40.800 0.098 0.000 1.200 160 D HN 0.422 nan 8.370 nan 0.000 0.429 161 S N 1.107 116.850 115.700 0.071 0.000 2.499 161 S HA 0.002 4.472 4.470 -0.001 0.000 0.225 161 S C 1.739 176.360 174.600 0.035 0.000 1.050 161 S CA -0.390 57.840 58.200 0.051 0.000 0.928 161 S CB 0.070 63.295 63.200 0.042 0.000 0.803 161 S HN 0.399 nan 8.310 nan 0.000 0.506 162 R N 1.537 122.057 120.500 0.032 0.000 2.159 162 R HA -0.189 4.151 4.340 -0.001 0.000 0.252 162 R C 2.580 178.895 176.300 0.024 0.000 1.144 162 R CA 2.384 58.498 56.100 0.024 0.000 0.961 162 R CB -1.162 29.152 30.300 0.024 0.000 0.877 162 R HN 0.669 nan 8.270 nan 0.000 0.444 163 T N -3.809 110.765 114.554 0.032 0.000 2.980 163 T HA 0.081 4.431 4.350 -0.001 0.000 0.239 163 T C 1.589 176.305 174.700 0.026 0.000 1.011 163 T CA 0.810 62.927 62.100 0.028 0.000 1.171 163 T CB 0.390 69.277 68.868 0.032 0.000 0.873 163 T HN 0.344 nan 8.240 nan 0.000 0.431 164 R N 0.127 120.650 120.500 0.039 0.000 1.242 164 R HA -0.303 4.037 4.340 -0.001 0.000 0.031 164 R C 1.972 178.280 176.300 0.013 0.000 0.958 164 R CA 2.483 58.601 56.100 0.030 0.000 1.982 164 R CB -2.242 28.070 30.300 0.019 0.000 0.179 164 R HN 0.643 nan 8.270 nan 0.000 0.729 165 S N 0.101 115.805 115.700 0.006 0.000 2.447 165 S HA 0.152 4.621 4.470 -0.001 0.000 0.233 165 S C 1.356 175.957 174.600 0.001 0.000 1.006 165 S CA 0.993 59.192 58.200 -0.003 0.000 0.957 165 S CB 0.309 63.508 63.200 -0.003 0.000 0.773 165 S HN 0.663 nan 8.310 nan 0.000 0.507 166 A N 0.935 123.763 122.820 0.013 0.000 2.640 166 A HA 0.640 4.960 4.320 -0.001 0.000 0.282 166 A C 0.893 178.503 177.584 0.044 0.000 1.357 166 A CA -0.093 51.954 52.037 0.016 0.000 0.946 166 A CB -0.670 18.337 19.000 0.012 0.000 1.065 166 A HN 0.546 nan 8.150 nan 0.000 0.541 167 G N -0.203 108.630 108.800 0.054 0.000 3.986 167 G HA2 0.368 4.327 3.960 -0.001 0.000 0.343 167 G HA3 0.368 4.327 3.960 -0.001 0.000 0.343 167 G C 0.600 175.560 174.900 0.101 0.000 1.413 167 G CA -0.204 44.972 45.100 0.126 0.000 1.143 167 G HN 0.130 nan 8.290 nan 0.000 0.488 168 K N 0.661 121.166 120.400 0.175 0.000 2.262 168 K HA 0.138 4.457 4.320 -0.001 0.000 0.200 168 K C -0.329 176.581 176.600 0.516 0.000 1.058 168 K CA 0.329 56.746 56.287 0.217 0.000 0.974 168 K CB 0.140 32.752 32.500 0.187 0.000 0.910 168 K HN 0.327 nan 8.250 nan 0.000 0.484 169 Y N 2.462 122.896 120.300 0.224 0.000 2.310 169 Y HA 0.298 4.847 4.550 -0.001 0.000 0.326 169 Y C -1.901 174.131 175.900 0.220 0.000 1.151 169 Y CA -3.581 54.650 58.100 0.218 0.000 1.195 169 Y CB 0.339 38.870 38.460 0.118 0.000 1.210 169 Y HN 0.094 nan 8.280 nan 0.000 0.483 170 P HA 0.037 nan 4.420 nan 0.000 0.272 170 P C 0.649 177.927 177.300 -0.036 0.000 1.223 170 P CA -0.013 62.903 63.100 -0.306 0.000 0.784 170 P CB 1.201 32.634 31.700 -0.445 0.000 0.923 171 V N -1.345 118.537 119.914 -0.055 0.000 3.471 171 V HA 0.190 4.310 4.120 -0.001 0.000 0.258 171 V C 0.581 176.724 176.094 0.082 0.000 1.192 171 V CA 1.016 63.353 62.300 0.062 0.000 1.116 171 V CB -0.753 31.119 31.823 0.081 0.000 0.792 171 V HN 0.756 nan 8.190 nan 0.000 0.459 172 S N -0.337 115.372 115.700 0.016 0.000 2.636 172 S HA 0.744 5.214 4.470 -0.001 0.000 0.266 172 S C -1.005 173.576 174.600 -0.033 0.000 1.147 172 S CA -0.113 58.132 58.200 0.074 0.000 0.815 172 S CB 1.664 64.957 63.200 0.155 0.000 1.119 172 S HN 1.477 nan 8.310 nan 0.000 0.470 173 V N -1.204 118.703 119.914 -0.011 0.000 2.735 173 V HA 0.864 4.983 4.120 -0.001 0.000 0.310 173 V C -0.789 175.141 176.094 -0.274 0.000 1.061 173 V CA -0.769 61.435 62.300 -0.160 0.000 0.913 173 V CB 1.809 33.627 31.823 -0.009 0.000 1.005 173 V HN 1.083 nan 8.190 nan 0.000 0.428 174 K N 3.964 124.071 120.400 -0.488 0.000 2.235 174 K HA 0.659 4.978 4.320 -0.001 0.000 0.266 174 K C -1.541 174.753 176.600 -0.509 0.000 0.980 174 K CA -0.621 55.213 56.287 -0.755 0.000 0.849 174 K CB 1.356 33.370 32.500 -0.809 0.000 1.098 174 K HN 0.894 nan 8.250 nan 0.000 0.445 175 I N 3.703 123.997 120.570 -0.460 0.000 2.447 175 I HA 0.171 4.341 4.170 -0.001 0.000 0.287 175 I C -0.101 175.824 176.117 -0.320 0.000 1.023 175 I CA -0.789 60.344 61.300 -0.278 0.000 1.083 175 I CB 1.722 39.564 38.000 -0.263 0.000 1.245 175 I HN 0.431 nan 8.210 nan 0.000 0.434 176 N N 6.134 124.685 118.700 -0.248 0.000 2.500 176 N HA 0.160 4.900 4.740 -0.001 0.000 0.236 176 N C 0.708 176.120 175.510 -0.165 0.000 1.022 176 N CA -0.067 52.837 53.050 -0.244 0.000 0.935 176 N CB 1.575 39.933 38.487 -0.215 0.000 1.147 176 N HN 0.412 nan 8.380 nan 0.000 0.512 177 V N 2.898 122.697 119.914 -0.192 0.000 2.407 177 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 177 V C 1.684 177.703 176.094 -0.126 0.000 1.055 177 V CA 1.600 63.807 62.300 -0.153 0.000 1.049 177 V CB -0.240 31.477 31.823 -0.177 0.000 0.662 177 V HN 0.623 nan 8.190 nan 0.000 0.455 178 D N 0.035 120.358 120.400 -0.127 0.000 2.117 178 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 178 D C 2.204 178.466 176.300 -0.064 0.000 0.982 178 D CA 1.166 55.111 54.000 -0.092 0.000 0.828 178 D CB -0.082 40.664 40.800 -0.090 0.000 0.967 178 D HN 0.452 nan 8.370 nan 0.000 0.464 179 K N 0.867 121.229 120.400 -0.063 0.000 2.097 179 K HA -0.028 4.291 4.320 -0.001 0.000 0.205 179 K C 2.230 178.841 176.600 0.019 0.000 1.050 179 K CA 0.798 57.068 56.287 -0.028 0.000 0.938 179 K CB -0.009 32.466 32.500 -0.043 0.000 0.718 179 K HN -0.010 nan 8.250 nan 0.000 0.442 180 A N 2.064 124.907 122.820 0.039 0.000 1.877 180 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 180 A C 1.938 179.517 177.584 -0.007 0.000 1.186 180 A CA 1.619 53.736 52.037 0.133 0.000 0.620 180 A CB -0.324 18.773 19.000 0.161 0.000 0.822 180 A HN 0.187 nan 8.150 nan 0.000 0.443 181 K N -0.084 120.274 120.400 -0.070 0.000 2.032 181 K HA -0.170 4.149 4.320 -0.001 0.000 0.209 181 K C 2.094 178.655 176.600 -0.065 0.000 1.048 181 K CA 1.859 58.083 56.287 -0.106 0.000 0.927 181 K CB -0.191 32.238 32.500 -0.118 0.000 0.712 181 K HN 0.447 nan 8.250 nan 0.000 0.441 182 K N 0.567 120.947 120.400 -0.034 0.000 2.063 182 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 182 K C 2.086 178.679 176.600 -0.011 0.000 1.048 182 K CA 1.442 57.719 56.287 -0.018 0.000 0.928 182 K CB -0.148 32.347 32.500 -0.008 0.000 0.713 182 K HN 0.127 nan 8.250 nan 0.000 0.442 183 I N 0.776 121.353 120.570 0.011 0.000 2.353 183 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 183 I C 2.073 178.168 176.117 -0.036 0.000 1.119 183 I CA 0.999 62.318 61.300 0.031 0.000 1.417 183 I CB -0.091 37.996 38.000 0.146 0.000 1.078 183 I HN 0.105 nan 8.210 nan 0.000 0.421 184 L N 0.027 121.182 121.223 -0.113 0.000 2.179 184 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 184 L C 0.804 177.596 176.870 -0.131 0.000 1.096 184 L CA 0.432 55.148 54.840 -0.208 0.000 0.779 184 L CB -0.446 41.415 42.059 -0.329 0.000 0.922 184 L HN 0.373 nan 8.230 nan 0.000 0.443 185 N N 0.511 119.156 118.700 -0.091 0.000 2.738 185 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 185 N C -0.509 174.965 175.510 -0.061 0.000 1.047 185 N CA 0.397 53.411 53.050 -0.060 0.000 0.707 185 N CB -1.306 37.154 38.487 -0.045 0.000 0.937 185 N HN 0.201 nan 8.380 nan 0.000 0.545 186 L N 0.199 121.381 121.223 -0.068 0.000 2.421 186 L HA 0.510 4.849 4.340 -0.001 0.000 0.263 186 L C -1.135 175.720 176.870 -0.025 0.000 1.122 186 L CA -1.744 53.064 54.840 -0.053 0.000 0.804 186 L CB 0.211 42.235 42.059 -0.058 0.000 1.150 186 L HN 0.134 nan 8.230 nan 0.000 0.457 187 P HA 0.042 nan 4.420 nan 0.000 0.264 187 P C -0.988 176.306 177.300 -0.009 0.000 1.193 187 P CA -0.072 63.014 63.100 -0.022 0.000 0.763 187 P CB 0.290 31.969 31.700 -0.035 0.000 0.810 188 E N 1.679 121.878 120.200 -0.001 0.000 2.366 188 E HA 0.088 4.438 4.350 -0.001 0.000 0.266 188 E C -0.340 176.220 176.600 -0.067 0.000 1.015 188 E CA -0.161 56.250 56.400 0.018 0.000 0.906 188 E CB 0.229 29.948 29.700 0.033 0.000 0.979 188 E HN 0.459 nan 8.360 nan 0.000 0.443 189 C N 3.569 122.767 119.300 -0.169 0.000 2.398 189 C HA 0.452 4.911 4.460 -0.001 0.000 0.364 189 C C 0.260 175.032 174.990 -0.364 0.000 1.219 189 C CA -0.511 58.280 59.018 -0.379 0.000 2.312 189 C CB 0.166 27.429 27.740 -0.794 0.000 2.428 189 C HN 0.873 nan 8.230 nan 0.000 0.564 190 D N -0.962 119.225 120.400 -0.356 0.000 2.752 190 D HA 0.297 4.936 4.640 -0.001 0.000 0.313 190 D C -1.077 175.000 176.300 -0.371 0.000 1.225 190 D CA -0.570 53.218 54.000 -0.353 0.000 0.976 190 D CB 0.335 41.044 40.800 -0.151 0.000 1.443 190 D HN 0.409 nan 8.370 nan 0.000 0.515 191 Y N -0.665 119.589 120.300 -0.078 0.000 2.584 191 Y HA 0.395 4.945 4.550 -0.001 0.000 0.254 191 Y C 0.454 176.378 175.900 0.040 0.000 1.177 191 Y CA -0.877 57.200 58.100 -0.039 0.000 1.216 191 Y CB 0.109 38.495 38.460 -0.123 0.000 1.172 191 Y HN 0.246 nan 8.280 nan 0.000 0.529 192 I N 2.155 122.781 120.570 0.093 0.000 2.742 192 I HA -0.101 4.068 4.170 -0.001 0.000 0.287 192 I C 0.284 176.433 176.117 0.054 0.000 1.186 192 I CA 0.479 61.817 61.300 0.063 0.000 1.417 192 I CB -0.124 37.873 38.000 -0.005 0.000 1.377 192 I HN 0.343 nan 8.210 nan 0.000 0.556 193 N N 3.744 122.464 118.700 0.034 0.000 2.776 193 N HA -0.195 4.545 4.740 -0.001 0.000 0.249 193 N C 0.038 175.464 175.510 -0.139 0.000 1.111 193 N CA 1.155 54.126 53.050 -0.132 0.000 0.711 193 N CB -1.051 37.365 38.487 -0.120 0.000 1.065 193 N HN 0.816 nan 8.380 nan 0.000 0.556 194 D N -0.788 119.622 120.400 0.017 0.000 2.370 194 D HA 0.025 4.665 4.640 -0.001 0.000 0.230 194 D C 0.280 176.590 176.300 0.016 0.000 1.143 194 D CA -0.081 53.966 54.000 0.079 0.000 0.834 194 D CB -0.529 40.472 40.800 0.335 0.000 0.944 194 D HN 0.588 nan 8.370 nan 0.000 0.504 195 Y N -1.735 118.432 120.300 -0.221 0.000 2.571 195 Y HA 0.650 5.199 4.550 -0.001 0.000 0.341 195 Y C -1.436 174.309 175.900 -0.258 0.000 1.076 195 Y CA -1.764 56.133 58.100 -0.338 0.000 1.029 195 Y CB 1.158 39.221 38.460 -0.661 0.000 1.308 195 Y HN -0.201 nan 8.280 nan 0.000 0.461 196 I N 2.414 122.953 120.570 -0.052 0.000 2.498 196 I HA 0.410 4.580 4.170 -0.001 0.000 0.290 196 I C -0.906 175.362 176.117 0.251 0.000 1.032 196 I CA -1.225 60.066 61.300 -0.014 0.000 1.073 196 I CB 2.293 40.152 38.000 -0.235 0.000 1.251 196 I HN 0.567 nan 8.210 nan 0.000 0.426 197 K N 3.934 124.477 120.400 0.239 0.000 2.349 197 K HA 0.214 4.534 4.320 -0.001 0.000 0.289 197 K C -0.022 176.730 176.600 0.253 0.000 1.064 197 K CA -0.196 56.227 56.287 0.227 0.000 0.947 197 K CB 0.637 33.228 32.500 0.151 0.000 1.007 197 K HN 0.652 nan 8.250 nan 0.000 0.478 198 T N 2.379 117.072 114.554 0.232 0.000 2.761 198 T HA 0.300 4.650 4.350 -0.001 0.000 0.296 198 T C -1.400 173.310 174.700 0.017 0.000 0.934 198 T CA -1.524 60.626 62.100 0.083 0.000 1.091 198 T CB 0.393 69.247 68.868 -0.023 0.000 0.896 198 T HN 0.367 nan 8.240 nan 0.000 0.515 212 A N 0.505 123.358 122.820 0.055 0.000 2.611 212 A HA 0.198 4.518 4.320 -0.001 0.000 0.302 212 A C -1.262 176.367 177.584 0.076 0.000 0.947 212 A CA -0.656 51.407 52.037 0.043 0.000 0.697 212 A CB 0.812 19.820 19.000 0.014 0.000 1.247 212 A HN 0.066 nan 8.150 nan 0.000 0.403 213 V N 4.060 123.976 119.914 0.003 0.000 2.450 213 V HA 0.298 4.418 4.120 -0.001 0.000 0.281 213 V C -1.250 174.761 176.094 -0.138 0.000 1.019 213 V CA -0.079 62.102 62.300 -0.199 0.000 1.062 213 V CB 0.169 31.851 31.823 -0.236 0.000 0.979 213 V HN 0.789 nan 8.190 nan 0.000 0.477 214 P HA 0.124 nan 4.420 nan 0.000 0.272 214 P C 1.110 178.377 177.300 -0.055 0.000 1.230 214 P CA -0.001 63.070 63.100 -0.049 0.000 0.788 214 P CB 0.774 32.471 31.700 -0.005 0.000 0.949 215 S N 1.240 116.926 115.700 -0.025 0.000 2.407 215 S HA -0.261 4.208 4.470 -0.001 0.000 0.244 215 S C 0.659 175.245 174.600 -0.024 0.000 1.077 215 S CA 1.586 59.774 58.200 -0.019 0.000 1.159 215 S CB -1.025 62.172 63.200 -0.004 0.000 1.045 215 S HN 0.796 nan 8.310 nan 0.000 0.438 216 E N 0.966 121.157 120.200 -0.015 0.000 2.392 216 E HA 0.663 5.013 4.350 -0.001 0.000 0.269 216 E C -3.389 173.206 176.600 -0.008 0.000 0.924 216 E CA -3.189 53.203 56.400 -0.014 0.000 0.784 216 E CB 1.161 30.863 29.700 0.002 0.000 1.292 216 E HN 0.080 nan 8.360 nan 0.000 0.447 217 P HA -0.018 nan 4.420 nan 0.000 0.267 217 P C -0.858 176.479 177.300 0.063 0.000 1.200 217 P CA -0.145 62.971 63.100 0.028 0.000 0.772 217 P CB 0.463 32.182 31.700 0.033 0.000 0.855 218 K N 1.597 122.058 120.400 0.103 0.000 2.368 218 K HA 0.150 4.470 4.320 -0.001 0.000 0.282 218 K C -0.444 176.223 176.600 0.112 0.000 1.035 218 K CA -0.065 56.291 56.287 0.115 0.000 0.973 218 K CB 0.020 32.610 32.500 0.150 0.000 0.957 218 K HN 0.367 nan 8.250 nan 0.000 0.474 219 T N 3.557 118.175 114.554 0.107 0.000 2.779 219 T HA 0.169 4.519 4.350 -0.001 0.000 0.296 219 T C -0.567 174.197 174.700 0.108 0.000 0.938 219 T CA -0.480 61.675 62.100 0.091 0.000 1.119 219 T CB 0.659 69.597 68.868 0.117 0.000 0.891 219 T HN 0.281 nan 8.240 nan 0.000 0.526 220 V N 5.014 124.947 119.914 0.032 0.000 2.378 220 V HA 0.317 4.436 4.120 -0.001 0.000 0.288 220 V C -0.695 175.343 176.094 -0.093 0.000 1.016 220 V CA -1.041 61.261 62.300 0.003 0.000 0.840 220 V CB 0.705 32.470 31.823 -0.096 0.000 0.994 220 V HN 0.755 nan 8.190 nan 0.000 0.431 221 Y N 3.247 123.481 120.300 -0.109 0.000 2.335 221 Y HA 0.402 4.952 4.550 -0.001 0.000 0.331 221 Y C 0.407 176.141 175.900 -0.277 0.000 1.094 221 Y CA -0.144 57.852 58.100 -0.173 0.000 1.253 221 Y CB 1.504 39.868 38.460 -0.159 0.000 1.203 221 Y HN 0.383 nan 8.280 nan 0.000 0.508 222 V N 6.600 126.380 119.914 -0.222 0.000 2.293 222 V HA 0.268 4.388 4.120 -0.001 0.000 0.275 222 V C -0.151 175.934 176.094 -0.014 0.000 1.021 222 V CA -0.758 61.421 62.300 -0.201 0.000 0.815 222 V CB 0.280 31.854 31.823 -0.415 0.000 1.025 222 V HN 0.551 nan 8.190 nan 0.000 0.448 223 I N 4.450 124.945 120.570 -0.126 0.000 2.291 223 I HA 0.274 4.444 4.170 -0.001 0.000 0.292 223 I C 0.061 176.217 176.117 0.066 0.000 1.064 223 I CA 0.124 61.363 61.300 -0.102 0.000 1.269 223 I CB 0.562 38.359 38.000 -0.338 0.000 1.418 223 I HN 0.503 nan 8.210 nan 0.000 0.485 224 C N 7.291 126.665 119.300 0.123 0.000 2.319 224 C HA 0.602 5.062 4.460 -0.001 0.000 0.335 224 C C 0.160 175.175 174.990 0.042 0.000 1.274 224 C CA -0.772 58.363 59.018 0.195 0.000 1.806 224 C CB 0.162 28.043 27.740 0.234 0.000 2.329 224 C HN 0.572 nan 8.230 nan 0.000 0.524 225 L N 3.586 124.869 121.223 0.101 0.000 2.343 225 L HA 0.507 4.846 4.340 -0.001 0.000 0.278 225 L C 0.351 177.268 176.870 0.078 0.000 0.996 225 L CA -0.431 54.440 54.840 0.051 0.000 0.831 225 L CB 0.856 43.021 42.059 0.176 0.000 1.232 225 L HN 0.662 nan 8.230 nan 0.000 0.413 226 R N 3.490 124.031 120.500 0.070 0.000 2.404 226 R HA 0.054 4.394 4.340 -0.001 0.000 0.315 226 R C 0.167 176.512 176.300 0.075 0.000 1.032 226 R CA -0.215 55.923 56.100 0.063 0.000 0.992 226 R CB 0.555 30.886 30.300 0.052 0.000 0.959 226 R HN 0.633 nan 8.270 nan 0.000 0.428 227 E N 3.580 123.817 120.200 0.063 0.000 2.452 227 E HA -0.162 4.188 4.350 -0.001 0.000 0.261 227 E C -0.442 176.183 176.600 0.041 0.000 0.987 227 E CA -0.196 56.248 56.400 0.072 0.000 0.926 227 E CB 0.511 30.242 29.700 0.052 0.000 0.934 227 E HN 0.468 nan 8.360 nan 0.000 0.452 228 N N 2.682 121.410 118.700 0.046 0.000 2.411 228 N HA -0.023 4.717 4.740 -0.001 0.000 0.265 228 N C 0.569 176.068 175.510 -0.019 0.000 1.266 228 N CA 1.502 54.564 53.050 0.018 0.000 0.889 228 N CB 0.420 38.914 38.487 0.012 0.000 1.069 228 N HN 0.743 nan 8.380 nan 0.000 0.476 229 G N 1.389 110.176 108.800 -0.023 0.000 2.176 229 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.253 229 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.253 229 G C 0.207 175.070 174.900 -0.060 0.000 0.979 229 G CA 0.490 45.563 45.100 -0.044 0.000 0.641 229 G HN 0.833 nan 8.290 nan 0.000 0.530 230 S N -0.099 115.569 115.700 -0.054 0.000 2.616 230 S HA 0.715 5.184 4.470 -0.001 0.000 0.277 230 S C 0.240 174.777 174.600 -0.104 0.000 1.234 230 S CA 0.624 58.782 58.200 -0.070 0.000 1.028 230 S CB 1.267 64.441 63.200 -0.044 0.000 0.988 230 S HN 0.442 nan 8.310 nan 0.000 0.522 231 T N 3.431 117.889 114.554 -0.161 0.000 2.797 231 T HA 0.596 4.946 4.350 -0.001 0.000 0.279 231 T C -0.530 173.995 174.700 -0.292 0.000 0.991 231 T CA -0.556 61.377 62.100 -0.278 0.000 0.979 231 T CB 1.030 69.650 68.868 -0.413 0.000 0.943 231 T HN 0.708 nan 8.240 nan 0.000 0.444 232 V N 1.167 120.902 119.914 -0.298 0.000 2.914 232 V HA 0.748 4.867 4.120 -0.001 0.000 0.314 232 V C -1.693 174.189 176.094 -0.352 0.000 1.084 232 V CA -1.178 61.001 62.300 -0.201 0.000 0.963 232 V CB 1.491 33.296 31.823 -0.030 0.000 1.025 232 V HN 0.718 nan 8.190 nan 0.000 0.432 233 Y N 2.953 123.209 120.300 -0.072 0.000 2.387 233 Y HA 0.586 5.135 4.550 -0.001 0.000 0.336 233 Y C -1.598 174.253 175.900 -0.083 0.000 1.067 233 Y CA -2.077 55.959 58.100 -0.107 0.000 1.114 233 Y CB 2.310 40.677 38.460 -0.154 0.000 1.208 233 Y HN 0.451 nan 8.280 nan 0.000 0.458 234 P HA -0.165 nan 4.420 nan 0.000 0.219 234 P C 0.922 177.909 177.300 -0.521 0.000 1.150 234 P CA 1.630 64.557 63.100 -0.289 0.000 0.814 234 P CB 0.226 31.639 31.700 -0.478 0.000 0.787 235 N N 1.022 119.373 118.700 -0.582 0.000 2.149 235 N HA -0.198 4.541 4.740 -0.001 0.000 0.188 235 N C 1.470 177.023 175.510 0.072 0.000 1.019 235 N CA 1.392 54.323 53.050 -0.200 0.000 0.857 235 N CB -0.692 37.847 38.487 0.086 0.000 0.997 235 N HN 0.255 nan 8.380 nan 0.000 0.426 236 E N 0.506 120.788 120.200 0.136 0.000 2.046 236 E HA -0.045 4.304 4.350 -0.001 0.000 0.190 236 E C 2.277 178.931 176.600 0.089 0.000 0.982 236 E CA 0.940 57.441 56.400 0.169 0.000 0.800 236 E CB 0.052 29.918 29.700 0.277 0.000 0.756 236 E HN 0.160 nan 8.360 nan 0.000 0.449 237 V N 1.372 121.323 119.914 0.062 0.000 2.295 237 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 237 V C 2.320 178.409 176.094 -0.008 0.000 1.049 237 V CA 1.925 64.239 62.300 0.023 0.000 1.024 237 V CB -0.518 31.323 31.823 0.031 0.000 0.648 237 V HN 0.184 nan 8.190 nan 0.000 0.447 238 S N 0.312 116.032 115.700 0.033 0.000 2.368 238 S HA -0.181 4.289 4.470 -0.001 0.000 0.225 238 S C 2.233 176.840 174.600 0.011 0.000 1.030 238 S CA 1.441 59.674 58.200 0.055 0.000 0.999 238 S CB -0.551 62.798 63.200 0.248 0.000 0.844 238 S HN 0.660 nan 8.310 nan 0.000 0.459 239 A N 1.553 124.405 122.820 0.052 0.000 1.902 239 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 239 A C 2.178 179.746 177.584 -0.027 0.000 1.181 239 A CA 1.204 53.261 52.037 0.034 0.000 0.623 239 A CB -0.525 18.510 19.000 0.058 0.000 0.818 239 A HN 0.389 nan 8.150 nan 0.000 0.443 240 Q N -0.702 119.069 119.800 -0.048 0.000 2.084 240 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 240 Q C 2.203 178.092 176.000 -0.185 0.000 0.978 240 Q CA 1.701 57.451 55.803 -0.087 0.000 0.844 240 Q CB -0.421 28.268 28.738 -0.081 0.000 0.898 240 Q HN 0.795 nan 8.270 nan 0.000 0.426 241 M N 0.284 119.691 119.600 -0.322 0.000 2.086 241 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 241 M C 2.389 178.375 176.300 -0.523 0.000 1.067 241 M CA 1.604 56.444 55.300 -0.766 0.000 1.116 241 M CB -0.400 31.510 32.600 -1.150 0.000 1.348 241 M HN 0.179 nan 8.290 nan 0.000 0.407 242 Q N 0.823 120.471 119.800 -0.254 0.000 2.061 242 Q HA -0.232 4.108 4.340 -0.001 0.000 0.204 242 Q C 1.392 177.377 176.000 -0.024 0.000 0.984 242 Q CA 1.983 57.745 55.803 -0.068 0.000 0.846 242 Q CB -0.000 28.747 28.738 0.015 0.000 0.902 242 Q HN 0.422 nan 8.270 nan 0.000 0.421 243 D N 0.143 120.513 120.400 -0.050 0.000 2.117 243 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 243 D C 1.742 177.995 176.300 -0.078 0.000 0.987 243 D CA 1.380 55.340 54.000 -0.068 0.000 0.829 243 D CB -0.341 40.416 40.800 -0.072 0.000 0.961 243 D HN 0.436 nan 8.370 nan 0.000 0.460 244 A N 1.141 123.927 122.820 -0.056 0.000 1.877 244 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 244 A C 2.341 179.945 177.584 0.034 0.000 1.186 244 A CA 2.416 54.459 52.037 0.010 0.000 0.620 244 A CB -0.831 18.215 19.000 0.076 0.000 0.822 244 A HN 0.241 nan 8.150 nan 0.000 0.443 245 A N 0.142 123.008 122.820 0.077 0.000 1.902 245 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 245 A C 1.885 179.287 177.584 -0.303 0.000 1.181 245 A CA 1.879 53.864 52.037 -0.087 0.000 0.623 245 A CB -0.658 18.453 19.000 0.185 0.000 0.818 245 A HN 0.534 nan 8.150 nan 0.000 0.443 246 N N 0.471 119.175 118.700 0.008 0.000 2.309 246 N HA -0.123 4.616 4.740 -0.001 0.000 0.182 246 N C 1.997 177.615 175.510 0.179 0.000 1.018 246 N CA 1.615 54.773 53.050 0.180 0.000 0.876 246 N CB -0.436 38.197 38.487 0.243 0.000 0.972 246 N HN 0.663 nan 8.380 nan 0.000 0.434 247 S N -0.351 115.369 115.700 0.033 0.000 2.402 247 S HA -0.046 4.424 4.470 -0.001 0.000 0.229 247 S C 2.052 176.748 174.600 0.161 0.000 1.021 247 S CA 0.859 59.109 58.200 0.084 0.000 0.974 247 S CB -0.570 62.589 63.200 -0.069 0.000 0.800 247 S HN 0.024 nan 8.310 nan 0.000 0.484 248 V N 0.788 120.692 119.914 -0.016 0.000 2.283 248 V HA -0.078 4.042 4.120 -0.001 0.000 0.243 248 V C 2.243 178.333 176.094 -0.007 0.000 1.039 248 V CA 1.644 63.899 62.300 -0.075 0.000 1.016 248 V CB -1.142 30.552 31.823 -0.215 0.000 0.650 248 V HN 0.569 nan 8.190 nan 0.000 0.449 249 Y N 0.566 120.944 120.300 0.131 0.000 2.333 249 Y HA -0.119 4.431 4.550 -0.001 0.000 0.290 249 Y C 2.510 178.465 175.900 0.091 0.000 1.144 249 Y CA 0.637 58.803 58.100 0.110 0.000 1.228 249 Y CB -0.436 38.092 38.460 0.114 0.000 0.985 249 Y HN 0.237 nan 8.280 nan 0.000 0.542 250 A N 0.059 123.028 122.820 0.248 0.000 2.121 250 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 250 A C 0.882 178.486 177.584 0.033 0.000 1.154 250 A CA 0.589 52.712 52.037 0.143 0.000 0.679 250 A CB -0.675 18.446 19.000 0.201 0.000 0.795 250 A HN 0.099 nan 8.150 nan 0.000 0.458 251 V N 1.064 120.986 119.914 0.013 0.000 2.432 251 V HA 0.256 4.376 4.120 -0.001 0.000 0.275 251 V C 0.412 176.405 176.094 -0.167 0.000 1.043 251 V CA -0.543 61.660 62.300 -0.162 0.000 0.925 251 V CB 0.260 31.972 31.823 -0.185 0.000 0.985 251 V HN 0.625 nan 8.190 nan 0.000 0.466 252 H N 3.112 122.037 119.070 -0.241 0.000 2.655 252 H HA -0.202 4.354 4.556 -0.001 0.000 0.313 252 H C 1.539 176.794 175.328 -0.121 0.000 1.141 252 H CA 1.022 56.850 56.048 -0.366 0.000 1.138 252 H CB -1.152 27.953 29.762 -1.095 0.000 1.446 252 H HN 1.319 nan 8.280 nan 0.000 0.415 253 G N 0.345 109.211 108.800 0.110 0.000 2.395 253 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.300 253 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.300 253 G C 1.188 176.255 174.900 0.279 0.000 0.998 253 G CA 0.521 45.732 45.100 0.185 0.000 1.046 253 G HN 0.588 nan 8.290 nan 0.000 0.513 254 L N -0.676 120.701 121.223 0.256 0.000 2.551 254 L HA -0.012 4.327 4.340 -0.001 0.000 0.228 254 L C 2.833 179.955 176.870 0.419 0.000 1.153 254 L CA 1.604 56.657 54.840 0.355 0.000 0.851 254 L CB -0.197 41.980 42.059 0.196 0.000 0.959 254 L HN 0.685 nan 8.230 nan 0.000 0.451 255 K N 0.127 120.715 120.400 0.312 0.000 2.280 255 K HA -0.179 4.140 4.320 -0.001 0.000 0.202 255 K C 1.874 178.522 176.600 0.080 0.000 1.047 255 K CA 1.036 57.392 56.287 0.115 0.000 0.942 255 K CB -0.178 32.222 32.500 -0.166 0.000 0.739 255 K HN 0.276 nan 8.250 nan 0.000 0.457 256 R N -0.458 120.103 120.500 0.102 0.000 2.148 256 R HA -0.065 4.274 4.340 -0.001 0.000 0.227 256 R C 1.190 177.355 176.300 -0.225 0.000 1.103 256 R CA 1.436 57.477 56.100 -0.098 0.000 0.983 256 R CB -0.166 30.014 30.300 -0.200 0.000 0.874 256 R HN 0.360 nan 8.270 nan 0.000 0.451 257 Y N -0.809 119.568 120.300 0.127 0.000 2.522 257 Y HA 0.146 4.696 4.550 -0.001 0.000 0.277 257 Y C 0.716 176.695 175.900 0.131 0.000 1.104 257 Y CA -0.394 57.786 58.100 0.134 0.000 1.260 257 Y CB 0.913 39.473 38.460 0.168 0.000 1.151 257 Y HN -0.200 nan 8.280 nan 0.000 0.539 258 V N -1.820 118.276 119.914 0.304 0.000 2.888 258 V HA 0.511 4.631 4.120 -0.001 0.000 0.309 258 V C -1.234 175.009 176.094 0.249 0.000 1.114 258 V CA -1.151 61.293 62.300 0.240 0.000 0.940 258 V CB 1.995 33.949 31.823 0.219 0.000 1.021 258 V HN 0.140 nan 8.190 nan 0.000 0.426 259 N N 3.144 121.945 118.700 0.169 0.000 2.399 259 N HA 0.632 5.372 4.740 -0.001 0.000 0.284 259 N C -1.248 174.323 175.510 0.101 0.000 1.025 259 N CA -0.698 52.446 53.050 0.157 0.000 0.885 259 N CB 2.202 40.717 38.487 0.047 0.000 1.339 259 N HN 0.651 nan 8.380 nan 0.000 0.487 260 L N 1.997 123.308 121.223 0.147 0.000 2.326 260 L HA 0.286 4.626 4.340 -0.001 0.000 0.278 260 L C 0.074 176.880 176.870 -0.106 0.000 1.092 260 L CA -0.338 54.455 54.840 -0.078 0.000 0.810 260 L CB 0.651 42.611 42.059 -0.164 0.000 1.153 260 L HN 0.509 nan 8.230 nan 0.000 0.439 261 H N 3.335 122.149 119.070 -0.426 0.000 2.792 261 H HA 0.393 4.949 4.556 -0.001 0.000 0.298 261 H C -1.077 174.017 175.328 -0.390 0.000 1.042 261 H CA -0.801 54.989 56.048 -0.430 0.000 1.300 261 H CB 0.711 29.959 29.762 -0.858 0.000 1.431 261 H HN 0.365 nan 8.280 nan 0.000 0.496 262 F N 4.599 124.665 119.950 0.194 0.000 2.396 262 F HA 0.300 4.826 4.527 -0.001 0.000 0.343 262 F C 0.154 176.110 175.800 0.260 0.000 1.104 262 F CA -0.548 57.562 58.000 0.184 0.000 1.161 262 F CB 1.238 40.322 39.000 0.141 0.000 1.146 262 F HN 0.235 nan 8.300 nan 0.000 0.522 263 V N 2.300 122.437 119.914 0.371 0.000 2.841 263 V HA 0.764 4.884 4.120 -0.001 0.000 0.310 263 V C -1.620 174.614 176.094 0.233 0.000 1.090 263 V CA -1.037 61.458 62.300 0.325 0.000 0.930 263 V CB 1.786 33.810 31.823 0.335 0.000 1.014 263 V HN 0.635 nan 8.190 nan 0.000 0.425 264 L N 5.958 127.321 121.223 0.234 0.000 2.356 264 L HA 0.911 5.251 4.340 -0.001 0.000 0.277 264 L C -0.837 176.172 176.870 0.232 0.000 0.996 264 L CA -0.242 54.687 54.840 0.147 0.000 0.822 264 L CB 1.441 43.592 42.059 0.153 0.000 1.256 264 L HN 0.925 nan 8.230 nan 0.000 0.413 265 Y N 0.366 120.750 120.300 0.139 0.000 2.728 265 Y HA 0.794 5.344 4.550 -0.001 0.000 0.330 265 Y C -0.453 175.517 175.900 0.116 0.000 1.234 265 Y CA -1.227 56.940 58.100 0.112 0.000 1.070 265 Y CB 0.701 39.217 38.460 0.094 0.000 1.300 265 Y HN 0.396 nan 8.280 nan 0.000 0.467 266 T N 1.261 116.002 114.554 0.312 0.000 2.882 266 T HA 0.422 4.772 4.350 -0.001 0.000 0.287 266 T C -0.341 174.507 174.700 0.247 0.000 0.992 266 T CA -0.350 61.871 62.100 0.202 0.000 1.076 266 T CB 1.242 70.196 68.868 0.143 0.000 0.961 266 T HN 0.769 nan 8.240 nan 0.000 0.490 267 T N 1.086 115.761 114.554 0.202 0.000 2.918 267 T HA 0.242 4.591 4.350 -0.001 0.000 0.286 267 T C 1.065 175.878 174.700 0.187 0.000 1.026 267 T CA -0.831 61.406 62.100 0.230 0.000 1.031 267 T CB 1.003 70.048 68.868 0.295 0.000 1.046 267 T HN 0.490 nan 8.240 nan 0.000 0.479 268 E N 1.732 122.039 120.200 0.178 0.000 2.274 268 E HA -0.050 4.299 4.350 -0.001 0.000 0.194 268 E C 0.100 176.793 176.600 0.154 0.000 0.996 268 E CA 0.462 56.943 56.400 0.135 0.000 0.840 268 E CB -0.181 29.587 29.700 0.113 0.000 0.772 268 E HN 0.683 nan 8.360 nan 0.000 0.491 269 Y N 1.389 121.755 120.300 0.110 0.000 2.425 269 Y HA 0.272 4.822 4.550 -0.001 0.000 0.331 269 Y C -0.225 175.740 175.900 0.109 0.000 1.157 269 Y CA -0.485 57.690 58.100 0.125 0.000 1.372 269 Y CB 0.585 39.168 38.460 0.205 0.000 1.253 269 Y HN -0.116 nan 8.280 nan 0.000 0.536 270 A N 4.669 127.045 122.820 -0.740 0.000 2.435 270 A HA 0.540 4.860 4.320 -0.001 0.000 0.304 270 A C -1.092 175.923 177.584 -0.948 0.000 1.064 270 A CA -0.777 50.911 52.037 -0.582 0.000 0.727 270 A CB 0.382 19.228 19.000 -0.258 0.000 1.284 270 A HN 0.857 nan 8.150 nan 0.000 0.415 271 C N 3.490 122.553 119.300 -0.396 0.000 2.633 271 C HA 0.249 4.708 4.460 -0.001 0.000 0.415 271 C C -0.393 174.544 174.990 -0.088 0.000 1.393 271 C CA -0.085 58.880 59.018 -0.089 0.000 1.700 271 C CB -0.214 27.670 27.740 0.241 0.000 2.541 271 C HN 0.750 nan 8.230 nan 0.000 0.603 272 P HA -0.037 nan 4.420 nan 0.000 0.226 272 P C 0.428 177.738 177.300 0.017 0.000 1.153 272 P CA 1.190 64.281 63.100 -0.014 0.000 0.777 272 P CB 0.187 31.903 31.700 0.026 0.000 0.794 273 S N -2.720 113.014 115.700 0.055 0.000 2.752 273 S HA 0.561 5.030 4.470 -0.001 0.000 0.284 273 S C 1.134 175.800 174.600 0.111 0.000 1.189 273 S CA -0.109 58.126 58.200 0.059 0.000 0.835 273 S CB 0.693 63.925 63.200 0.053 0.000 1.192 273 S HN -0.041 nan 8.310 nan 0.000 0.506 274 G N 0.572 109.432 108.800 0.100 0.000 2.848 274 G HA2 0.056 4.015 3.960 -0.001 0.000 0.208 274 G HA3 0.056 4.015 3.960 -0.001 0.000 0.208 274 G C 0.437 175.478 174.900 0.235 0.000 1.152 274 G CA -0.167 45.028 45.100 0.157 0.000 0.789 274 G HN 0.693 nan 8.290 nan 0.000 0.531 275 N N 1.161 119.951 118.700 0.151 0.000 2.431 275 N HA 0.251 4.990 4.740 -0.001 0.000 0.265 275 N C 1.429 176.968 175.510 0.048 0.000 1.184 275 N CA 0.377 53.480 53.050 0.088 0.000 0.943 275 N CB 1.425 39.939 38.487 0.045 0.000 1.080 275 N HN 0.025 nan 8.380 nan 0.000 0.477 276 A N 4.096 126.880 122.820 -0.060 0.000 1.930 276 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 276 A C 1.659 179.067 177.584 -0.293 0.000 1.175 276 A CA 1.399 53.214 52.037 -0.370 0.000 0.627 276 A CB -0.225 18.485 19.000 -0.483 0.000 0.815 276 A HN 0.738 nan 8.150 nan 0.000 0.443 277 D N -0.668 119.618 120.400 -0.189 0.000 2.097 277 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 277 D C 1.988 178.228 176.300 -0.101 0.000 0.989 277 D CA 1.562 55.455 54.000 -0.178 0.000 0.827 277 D CB -0.114 40.606 40.800 -0.133 0.000 0.966 277 D HN 0.692 nan 8.370 nan 0.000 0.456 278 E N 0.088 120.270 120.200 -0.031 0.000 2.058 278 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 278 E C 2.240 178.893 176.600 0.089 0.000 0.997 278 E CA 1.372 57.795 56.400 0.038 0.000 0.801 278 E CB -0.318 29.416 29.700 0.056 0.000 0.746 278 E HN 0.298 nan 8.360 nan 0.000 0.450 279 G N 1.424 110.273 108.800 0.082 0.000 2.440 279 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 279 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 279 G C 1.514 176.520 174.900 0.176 0.000 1.154 279 G CA 0.991 46.206 45.100 0.193 0.000 0.767 279 G HN 0.325 nan 8.290 nan 0.000 0.552 280 L N 0.911 122.126 121.223 -0.012 0.000 2.056 280 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 280 L C 2.160 179.116 176.870 0.142 0.000 1.078 280 L CA 2.169 57.011 54.840 0.004 0.000 0.749 280 L CB -0.666 41.232 42.059 -0.268 0.000 0.901 280 L HN 0.096 nan 8.230 nan 0.000 0.433 281 D N -0.176 120.297 120.400 0.122 0.000 2.116 281 D HA -0.178 4.462 4.640 -0.001 0.000 0.193 281 D C 2.134 178.518 176.300 0.139 0.000 0.998 281 D CA 1.616 55.746 54.000 0.218 0.000 0.836 281 D CB -0.708 40.190 40.800 0.163 0.000 0.951 281 D HN 0.502 nan 8.370 nan 0.000 0.449 282 G N -0.622 108.263 108.800 0.142 0.000 2.422 282 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 282 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 282 G C 1.500 176.216 174.900 -0.306 0.000 1.140 282 G CA 0.321 45.493 45.100 0.121 0.000 0.775 282 G HN 0.333 nan 8.290 nan 0.000 0.545 283 F N 1.683 121.285 119.950 -0.579 0.000 2.098 283 F HA -0.058 4.469 4.527 -0.001 0.000 0.294 283 F C 2.877 178.423 175.800 -0.424 0.000 1.107 283 F CA 1.821 59.311 58.000 -0.850 0.000 1.234 283 F CB -0.154 38.603 39.000 -0.405 0.000 1.002 283 F HN 0.103 nan 8.300 nan 0.000 0.472 284 T N 0.834 115.196 114.554 -0.320 0.000 2.720 284 T HA -0.210 4.139 4.350 -0.001 0.000 0.268 284 T C 2.113 176.590 174.700 -0.371 0.000 1.037 284 T CA 1.294 63.183 62.100 -0.352 0.000 1.144 284 T CB -0.767 68.121 68.868 0.033 0.000 0.864 284 T HN 0.412 nan 8.240 nan 0.000 0.444 285 A N 1.925 124.606 122.820 -0.233 0.000 1.933 285 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 285 A C 2.604 180.025 177.584 -0.271 0.000 1.175 285 A CA 2.176 54.096 52.037 -0.194 0.000 0.628 285 A CB -0.925 18.028 19.000 -0.078 0.000 0.814 285 A HN 0.621 nan 8.150 nan 0.000 0.444 286 S N 0.012 115.507 115.700 -0.342 0.000 2.382 286 S HA -0.093 4.377 4.470 -0.001 0.000 0.228 286 S C 1.888 176.229 174.600 -0.432 0.000 1.027 286 S CA 1.396 59.421 58.200 -0.292 0.000 0.991 286 S CB -0.722 62.330 63.200 -0.247 0.000 0.823 286 S HN 0.459 nan 8.310 nan 0.000 0.469 287 L N 0.840 121.626 121.223 -0.728 0.000 2.027 287 L HA -0.044 4.296 4.340 -0.001 0.000 0.206 287 L C 2.839 178.961 176.870 -1.246 0.000 1.074 287 L CA 1.567 55.736 54.840 -1.117 0.000 0.745 287 L CB -0.460 40.651 42.059 -1.580 0.000 0.898 287 L HN 0.296 nan 8.230 nan 0.000 0.433 288 K N 0.063 119.933 120.400 -0.883 0.000 2.097 288 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 288 K C 2.153 178.608 176.600 -0.242 0.000 1.050 288 K CA 1.211 57.231 56.287 -0.445 0.000 0.938 288 K CB -0.205 32.185 32.500 -0.183 0.000 0.718 288 K HN 0.263 nan 8.250 nan 0.000 0.442 289 A N 1.478 124.159 122.820 -0.232 0.000 2.066 289 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 289 A C 0.941 178.463 177.584 -0.103 0.000 1.157 289 A CA 0.568 52.531 52.037 -0.125 0.000 0.670 289 A CB -0.273 18.672 19.000 -0.092 0.000 0.804 289 A HN 0.176 nan 8.150 nan 0.000 0.453 290 N N 0.426 119.031 118.700 -0.159 0.000 2.415 290 N HA 0.250 4.989 4.740 -0.001 0.000 0.246 290 N C -2.088 173.400 175.510 -0.037 0.000 1.078 290 N CA -2.236 50.759 53.050 -0.092 0.000 0.942 290 N CB 1.110 39.528 38.487 -0.116 0.000 1.140 290 N HN -0.036 nan 8.380 nan 0.000 0.501 291 P HA -0.166 nan 4.420 nan 0.000 0.219 291 P C 1.217 178.564 177.300 0.078 0.000 1.146 291 P CA 0.822 63.946 63.100 0.040 0.000 0.808 291 P CB 0.309 32.026 31.700 0.029 0.000 0.779 292 K N 0.652 121.096 120.400 0.072 0.000 2.160 292 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 292 K C 1.589 178.307 176.600 0.196 0.000 1.047 292 K CA 1.803 58.152 56.287 0.104 0.000 0.930 292 K CB -0.607 31.933 32.500 0.066 0.000 0.720 292 K HN 0.087 nan 8.250 nan 0.000 0.450 293 A N 0.990 123.934 122.820 0.208 0.000 2.251 293 A HA 0.021 4.341 4.320 -0.001 0.000 0.209 293 A C 0.590 178.497 177.584 0.537 0.000 1.187 293 A CA -0.189 52.090 52.037 0.402 0.000 0.823 293 A CB -0.188 18.958 19.000 0.242 0.000 0.846 293 A HN 0.456 nan 8.150 nan 0.000 0.486 294 E N -0.444 119.948 120.200 0.321 0.000 2.502 294 E HA 0.238 4.588 4.350 -0.001 0.000 0.261 294 E C 1.316 177.958 176.600 0.069 0.000 0.974 294 E CA 0.875 57.391 56.400 0.194 0.000 0.936 294 E CB 0.059 29.819 29.700 0.101 0.000 0.926 294 E HN 0.660 nan 8.360 nan 0.000 0.459 295 G N 3.763 112.509 108.800 -0.090 0.000 2.225 295 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.254 295 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.254 295 G C 0.279 174.851 174.900 -0.547 0.000 0.988 295 G CA 0.522 45.410 45.100 -0.352 0.000 0.625 295 G HN 0.633 nan 8.290 nan 0.000 0.527 296 Y N 1.534 121.848 120.300 0.024 0.000 2.720 296 Y HA 0.263 4.813 4.550 -0.001 0.000 0.268 296 Y C 1.733 177.591 175.900 -0.070 0.000 1.142 296 Y CA -0.009 58.123 58.100 0.055 0.000 1.193 296 Y CB 0.398 38.977 38.460 0.199 0.000 1.176 296 Y HN 0.362 nan 8.280 nan 0.000 0.542 297 D N -0.335 119.827 120.400 -0.396 0.000 2.363 297 D HA -0.143 4.497 4.640 -0.001 0.000 0.220 297 D C 0.544 176.577 176.300 -0.445 0.000 0.994 297 D CA 0.856 54.200 54.000 -1.093 0.000 0.890 297 D CB -0.042 40.103 40.800 -1.091 0.000 0.906 297 D HN 0.476 nan 8.370 nan 0.000 0.530 298 D N -0.346 119.967 120.400 -0.144 0.000 2.342 298 D HA -0.015 4.625 4.640 -0.001 0.000 0.221 298 D C 0.492 176.901 176.300 0.182 0.000 1.101 298 D CA -0.087 53.913 54.000 -0.002 0.000 0.837 298 D CB 0.101 40.888 40.800 -0.021 0.000 0.938 298 D HN 0.006 nan 8.370 nan 0.000 0.508 299 Q N 0.107 120.026 119.800 0.199 0.000 2.199 299 Q HA 0.510 4.850 4.340 -0.001 0.000 0.205 299 Q C 0.250 176.304 176.000 0.089 0.000 1.001 299 Q CA -0.740 55.137 55.803 0.124 0.000 1.019 299 Q CB 1.630 30.360 28.738 -0.012 0.000 1.132 299 Q HN 0.171 nan 8.270 nan 0.000 0.530 300 I N 0.822 121.294 120.570 -0.163 0.000 2.412 300 I HA 0.315 4.485 4.170 -0.001 0.000 0.296 300 I C -0.987 174.945 176.117 -0.308 0.000 0.987 300 I CA -0.709 60.502 61.300 -0.148 0.000 1.180 300 I CB 0.861 38.714 38.000 -0.246 0.000 1.340 300 I HN 0.361 nan 8.210 nan 0.000 0.455 301 Y N 5.110 125.384 120.300 -0.044 0.000 2.391 301 Y HA 0.537 5.086 4.550 -0.001 0.000 0.341 301 Y C -0.735 175.177 175.900 0.020 0.000 0.965 301 Y CA -0.613 57.545 58.100 0.096 0.000 1.067 301 Y CB 1.867 40.420 38.460 0.156 0.000 1.199 301 Y HN 0.306 nan 8.280 nan 0.000 0.450 302 F N 3.377 123.588 119.950 0.436 0.000 2.529 302 F HA 0.447 4.973 4.527 -0.001 0.000 0.320 302 F C -0.719 175.124 175.800 0.071 0.000 1.118 302 F CA -1.029 57.136 58.000 0.275 0.000 0.915 302 F CB 1.555 40.668 39.000 0.189 0.000 1.161 302 F HN 0.264 nan 8.300 nan 0.000 0.445 303 L N 6.165 127.253 121.223 -0.226 0.000 2.319 303 L HA 0.540 4.880 4.340 -0.001 0.000 0.280 303 L C -0.332 176.566 176.870 0.047 0.000 1.099 303 L CA -0.240 54.358 54.840 -0.403 0.000 0.828 303 L CB 0.208 41.694 42.059 -0.955 0.000 1.150 303 L HN 0.496 nan 8.230 nan 0.000 0.442 304 I N 2.882 123.505 120.570 0.089 0.000 2.693 304 I HA 0.851 5.021 4.170 -0.001 0.000 0.303 304 I C -0.631 175.531 176.117 0.074 0.000 1.025 304 I CA -0.849 60.523 61.300 0.119 0.000 1.086 304 I CB 1.957 40.008 38.000 0.085 0.000 1.268 304 I HN 0.778 nan 8.210 nan 0.000 0.440 305 R N 2.152 122.669 120.500 0.028 0.000 2.766 305 R HA 0.328 4.667 4.340 -0.001 0.000 0.270 305 R C -0.685 175.602 176.300 -0.021 0.000 1.035 305 R CA -0.949 55.128 56.100 -0.039 0.000 0.911 305 R CB 0.605 30.789 30.300 -0.194 0.000 1.243 305 R HN 0.853 nan 8.270 nan 0.000 0.460 306 W N 1.187 122.402 121.300 -0.141 0.000 2.443 306 W HA 0.283 4.942 4.660 -0.001 0.000 0.296 306 W C 0.660 177.105 176.519 -0.124 0.000 1.202 306 W CA 1.805 59.100 57.345 -0.084 0.000 1.312 306 W CB -0.147 29.284 29.460 -0.048 0.000 1.120 306 W HN 0.768 nan 8.180 nan 0.000 0.536 307 G N -0.227 108.494 108.800 -0.131 0.000 2.543 307 G HA2 0.443 4.403 3.960 -0.001 0.000 0.267 307 G HA3 0.443 4.403 3.960 -0.001 0.000 0.267 307 G C -0.391 174.170 174.900 -0.566 0.000 1.406 307 G CA 0.161 45.050 45.100 -0.350 0.000 1.048 307 G HN 0.131 nan 8.290 nan 0.000 0.548 308 T N -3.800 110.455 114.554 -0.497 0.000 2.905 308 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 308 T C -0.468 173.952 174.700 -0.466 0.000 1.031 308 T CA -0.913 60.933 62.100 -0.423 0.000 1.002 308 T CB 1.815 70.513 68.868 -0.283 0.000 1.200 308 T HN 0.507 nan 8.240 nan 0.000 0.560 309 W N -0.085 121.148 121.300 -0.112 0.000 2.767 309 W HA 0.381 5.040 4.660 -0.001 0.000 0.375 309 W C -0.209 176.264 176.519 -0.076 0.000 1.461 309 W CA -0.421 56.880 57.345 -0.073 0.000 1.415 309 W CB 0.730 30.156 29.460 -0.057 0.000 1.581 309 W HN 0.633 nan 8.180 nan 0.000 0.672 310 D N 0.956 121.473 120.400 0.195 0.000 2.443 310 D HA -0.075 4.565 4.640 -0.001 0.000 0.234 310 D C 0.523 176.851 176.300 0.047 0.000 1.172 310 D CA 1.216 55.264 54.000 0.080 0.000 0.878 310 D CB 0.194 41.036 40.800 0.069 0.000 1.204 310 D HN 0.229 nan 8.370 nan 0.000 0.453 311 N N 1.776 120.481 118.700 0.008 0.000 2.747 311 N HA -0.237 4.503 4.740 -0.001 0.000 0.249 311 N C -0.721 174.767 175.510 -0.036 0.000 1.107 311 N CA 0.580 53.622 53.050 -0.014 0.000 0.707 311 N CB -1.444 37.035 38.487 -0.013 0.000 1.054 311 N HN 0.501 nan 8.380 nan 0.000 0.555 312 N N -1.026 117.646 118.700 -0.048 0.000 2.716 312 N HA -0.218 4.521 4.740 -0.001 0.000 0.250 312 N C -0.196 175.239 175.510 -0.124 0.000 1.033 312 N CA 0.979 53.965 53.050 -0.106 0.000 0.727 312 N CB -1.220 37.187 38.487 -0.134 0.000 0.950 312 N HN 0.616 nan 8.380 nan 0.000 0.541 313 I N 0.856 121.412 120.570 -0.022 0.000 2.496 313 I HA -0.022 4.148 4.170 -0.001 0.000 0.285 313 I C 1.914 178.068 176.117 0.062 0.000 1.080 313 I CA -0.216 61.087 61.300 0.005 0.000 1.404 313 I CB 0.733 38.767 38.000 0.057 0.000 1.403 313 I HN 0.082 nan 8.210 nan 0.000 0.539 314 L N 5.895 127.086 121.223 -0.053 0.000 2.375 314 L HA 0.273 4.613 4.340 -0.001 0.000 0.215 314 L C 0.961 177.958 176.870 0.212 0.000 1.108 314 L CA 0.174 54.973 54.840 -0.067 0.000 0.830 314 L CB -0.183 41.667 42.059 -0.350 0.000 0.959 314 L HN 0.822 nan 8.230 nan 0.000 0.457 315 G N -0.646 108.256 108.800 0.170 0.000 2.349 315 G HA2 0.479 4.439 3.960 -0.001 0.000 0.294 315 G HA3 0.479 4.439 3.960 -0.001 0.000 0.294 315 G C -2.063 172.813 174.900 -0.039 0.000 1.380 315 G CA -0.357 44.778 45.100 0.058 0.000 0.811 315 G HN -0.136 nan 8.290 nan 0.000 0.519 316 I N -0.188 120.332 120.570 -0.084 0.000 2.882 316 I HA 0.652 4.822 4.170 -0.001 0.000 0.298 316 I C -0.911 175.179 176.117 -0.045 0.000 1.462 316 I CA -0.456 60.783 61.300 -0.103 0.000 1.000 316 I CB 2.191 39.999 38.000 -0.319 0.000 1.340 316 I HN 1.241 nan 8.210 nan 0.000 0.462 317 S N 3.102 118.774 115.700 -0.047 0.000 2.596 317 S HA 0.552 5.022 4.470 -0.001 0.000 0.270 317 S C -1.884 172.641 174.600 -0.125 0.000 1.155 317 S CA -0.816 57.370 58.200 -0.022 0.000 0.827 317 S CB 0.968 64.293 63.200 0.208 0.000 1.130 317 S HN 0.603 nan 8.310 nan 0.000 0.467 318 W N 1.584 122.928 121.300 0.072 0.000 2.388 318 W HA 0.493 5.153 4.660 -0.001 0.000 0.308 318 W C 0.159 176.708 176.519 0.049 0.000 1.263 318 W CA -0.508 56.869 57.345 0.053 0.000 1.286 318 W CB 0.657 30.140 29.460 0.038 0.000 1.294 318 W HN 0.596 nan 8.180 nan 0.000 0.493 319 L N 5.498 126.866 121.223 0.241 0.000 2.410 319 L HA 0.104 4.444 4.340 -0.001 0.000 0.273 319 L C 0.795 177.724 176.870 0.099 0.000 1.152 319 L CA 0.024 54.910 54.840 0.077 0.000 0.855 319 L CB 0.020 42.043 42.059 -0.059 0.000 1.129 319 L HN 0.622 nan 8.230 nan 0.000 0.463 320 N N 1.826 120.566 118.700 0.066 0.000 2.727 320 N HA -0.223 4.517 4.740 -0.001 0.000 0.251 320 N C 0.264 175.815 175.510 0.068 0.000 1.040 320 N CA 1.064 54.145 53.050 0.051 0.000 0.712 320 N CB -0.932 37.562 38.487 0.011 0.000 0.912 320 N HN 0.828 nan 8.380 nan 0.000 0.545 321 S N -1.986 113.783 115.700 0.115 0.000 2.559 321 S HA 0.162 4.632 4.470 -0.001 0.000 0.226 321 S C 0.070 174.739 174.600 0.115 0.000 1.000 321 S CA -0.396 57.865 58.200 0.101 0.000 0.948 321 S CB 0.268 63.567 63.200 0.164 0.000 0.870 321 S HN 0.415 nan 8.310 nan 0.000 0.497 322 Y N 2.707 123.020 120.300 0.021 0.000 2.350 322 Y HA 0.646 5.196 4.550 -0.001 0.000 0.338 322 Y C -0.867 175.037 175.900 0.006 0.000 0.961 322 Y CA -1.022 57.085 58.100 0.012 0.000 1.100 322 Y CB 1.170 39.642 38.460 0.021 0.000 1.179 322 Y HN 0.222 nan 8.280 nan 0.000 0.454 323 N N 4.679 122.964 118.700 -0.692 0.000 2.310 323 N HA 0.156 4.895 4.740 -0.001 0.000 0.292 323 N C 0.531 175.637 175.510 -0.672 0.000 1.049 323 N CA -0.240 52.532 53.050 -0.464 0.000 0.849 323 N CB 2.204 40.562 38.487 -0.214 0.000 1.532 323 N HN 0.628 nan 8.380 nan 0.000 0.479 324 V N 1.284 120.989 119.914 -0.349 0.000 2.568 324 V HA -0.136 3.984 4.120 -0.001 0.000 0.253 324 V C 1.398 177.411 176.094 -0.135 0.000 1.072 324 V CA 1.383 63.584 62.300 -0.165 0.000 1.084 324 V CB -0.485 31.388 31.823 0.083 0.000 0.676 324 V HN 0.598 nan 8.190 nan 0.000 0.469 325 N N 1.193 119.813 118.700 -0.132 0.000 2.368 325 N HA -0.028 4.712 4.740 -0.001 0.000 0.176 325 N C 1.835 177.273 175.510 -0.121 0.000 1.021 325 N CA 1.820 54.814 53.050 -0.094 0.000 0.888 325 N CB 0.078 38.527 38.487 -0.063 0.000 0.995 325 N HN 0.818 nan 8.380 nan 0.000 0.437 326 T N -2.666 111.784 114.554 -0.174 0.000 3.040 326 T HA 0.452 4.802 4.350 -0.001 0.000 0.266 326 T C 0.645 175.230 174.700 -0.190 0.000 1.005 326 T CA -0.449 61.557 62.100 -0.156 0.000 0.906 326 T CB 0.247 69.037 68.868 -0.130 0.000 1.082 326 T HN 0.123 nan 8.240 nan 0.000 0.531 327 A N 2.073 124.726 122.820 -0.278 0.000 2.567 327 A HA 0.553 4.873 4.320 -0.001 0.000 0.240 327 A C 0.692 178.185 177.584 -0.152 0.000 1.053 327 A CA 0.239 52.121 52.037 -0.258 0.000 0.755 327 A CB -0.382 18.406 19.000 -0.353 0.000 0.978 327 A HN 1.294 nan 8.150 nan 0.000 0.507 328 S N 0.849 116.464 115.700 -0.142 0.000 2.595 328 S HA 0.506 4.975 4.470 -0.001 0.000 0.270 328 S C -0.672 173.799 174.600 -0.214 0.000 1.145 328 S CA -0.195 57.897 58.200 -0.179 0.000 0.825 328 S CB 0.836 63.946 63.200 -0.151 0.000 1.107 328 S HN 0.877 nan 8.310 nan 0.000 0.461 329 D N 0.093 120.319 120.400 -0.290 0.000 2.751 329 D HA -0.198 4.441 4.640 -0.001 0.000 0.233 329 D C 0.132 176.368 176.300 -0.107 0.000 1.149 329 D CA 1.532 55.406 54.000 -0.210 0.000 0.682 329 D CB -1.884 38.847 40.800 -0.114 0.000 1.068 329 D HN 0.956 nan 8.370 nan 0.000 0.429 330 F N -2.336 117.546 119.950 -0.113 0.000 3.069 330 F HA -0.343 4.184 4.527 -0.001 0.000 0.285 330 F C 1.726 177.435 175.800 -0.152 0.000 0.827 330 F CA 1.394 59.294 58.000 -0.167 0.000 1.108 330 F CB -1.945 36.830 39.000 -0.375 0.000 1.252 330 F HN 0.147 nan 8.300 nan 0.000 0.483 331 K N 0.559 120.929 120.400 -0.049 0.000 2.097 331 K HA 0.100 4.420 4.320 -0.001 0.000 0.206 331 K C 1.528 178.132 176.600 0.007 0.000 1.049 331 K CA 1.149 57.345 56.287 -0.151 0.000 0.933 331 K CB -0.124 32.283 32.500 -0.154 0.000 0.717 331 K HN 0.369 nan 8.250 nan 0.000 0.442 332 A N 2.160 125.061 122.820 0.135 0.000 2.990 332 A HA 0.171 4.491 4.320 -0.001 0.000 0.282 332 A C -0.422 177.280 177.584 0.198 0.000 1.688 332 A CA -0.316 51.843 52.037 0.204 0.000 1.391 332 A CB -0.421 18.752 19.000 0.288 0.000 1.112 332 A HN 0.198 nan 8.150 nan 0.000 0.588 333 S N -0.170 115.692 115.700 0.269 0.000 2.595 333 S HA 0.952 5.422 4.470 -0.001 0.000 0.281 333 S C -0.103 174.630 174.600 0.221 0.000 1.117 333 S CA -0.225 58.131 58.200 0.261 0.000 0.873 333 S CB 1.966 65.361 63.200 0.326 0.000 1.108 333 S HN 1.446 nan 8.310 nan 0.000 0.477 334 G N 0.335 109.192 108.800 0.095 0.000 2.606 334 G HA2 0.640 4.600 3.960 -0.001 0.000 0.300 334 G HA3 0.640 4.600 3.960 -0.001 0.000 0.300 334 G C -1.834 173.203 174.900 0.229 0.000 1.360 334 G CA -0.995 44.169 45.100 0.108 0.000 0.783 334 G HN 0.712 nan 8.290 nan 0.000 0.484 335 M N 0.444 120.152 119.600 0.180 0.000 2.501 335 M HA 0.678 5.158 4.480 -0.001 0.000 0.293 335 M C -0.834 175.574 176.300 0.181 0.000 1.192 335 M CA -0.889 54.459 55.300 0.080 0.000 0.886 335 M CB 2.410 34.788 32.600 -0.369 0.000 1.710 335 M HN 0.574 nan 8.290 nan 0.000 0.457 336 S N 0.500 116.390 115.700 0.316 0.000 2.546 336 S HA 0.435 4.905 4.470 -0.001 0.000 0.272 336 S C -0.786 173.989 174.600 0.293 0.000 1.140 336 S CA -0.424 57.929 58.200 0.255 0.000 0.920 336 S CB 2.139 65.328 63.200 -0.019 0.000 1.083 336 S HN 0.780 nan 8.310 nan 0.000 0.476 337 T N 1.668 116.355 114.554 0.222 0.000 2.856 337 T HA 0.366 4.716 4.350 -0.001 0.000 0.306 337 T C 1.241 175.908 174.700 -0.055 0.000 1.062 337 T CA 0.729 62.806 62.100 -0.038 0.000 1.083 337 T CB 0.363 69.117 68.868 -0.190 0.000 0.984 337 T HN 0.908 nan 8.240 nan 0.000 0.542 338 T N 0.520 115.011 114.554 -0.104 0.000 3.111 338 T HA 0.215 4.565 4.350 -0.001 0.000 0.284 338 T C 0.554 175.231 174.700 -0.038 0.000 0.983 338 T CA -0.602 61.474 62.100 -0.040 0.000 0.900 338 T CB -0.083 68.797 68.868 0.021 0.000 1.132 338 T HN 0.802 nan 8.240 nan 0.000 0.531 339 Q N 0.843 120.509 119.800 -0.224 0.000 2.395 339 Q HA 0.346 4.686 4.340 -0.001 0.000 0.271 339 Q C 1.105 177.110 176.000 0.009 0.000 1.026 339 Q CA -0.575 55.108 55.803 -0.198 0.000 0.900 339 Q CB 1.055 29.349 28.738 -0.740 0.000 1.266 339 Q HN 0.145 nan 8.270 nan 0.000 0.430 340 L N 2.590 123.906 121.223 0.156 0.000 2.083 340 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 340 L C 1.912 178.757 176.870 -0.041 0.000 1.083 340 L CA 1.745 56.650 54.840 0.109 0.000 0.752 340 L CB -0.237 41.947 42.059 0.208 0.000 0.899 340 L HN 0.843 nan 8.230 nan 0.000 0.433 341 M N -1.644 117.875 119.600 -0.136 0.000 2.630 341 M HA -0.093 4.386 4.480 -0.001 0.000 0.254 341 M C 0.015 175.884 176.300 -0.719 0.000 1.092 341 M CA 0.957 56.015 55.300 -0.403 0.000 1.087 341 M CB -0.687 31.603 32.600 -0.516 0.000 1.453 341 M HN 0.220 nan 8.290 nan 0.000 0.509 342 Y N 1.033 121.206 120.300 -0.212 0.000 2.638 342 Y HA 0.309 4.859 4.550 -0.001 0.000 0.367 342 Y C -2.024 173.855 175.900 -0.035 0.000 1.001 342 Y CA -2.472 55.433 58.100 -0.325 0.000 1.133 342 Y CB 0.135 38.241 38.460 -0.590 0.000 1.199 342 Y HN 0.049 nan 8.280 nan 0.000 0.642 343 P HA 0.110 nan 4.420 nan 0.000 0.269 343 P C 0.949 178.389 177.300 0.234 0.000 1.209 343 P CA 0.990 64.175 63.100 0.142 0.000 0.776 343 P CB 1.454 33.198 31.700 0.073 0.000 0.876 344 G N 1.149 110.029 108.800 0.133 0.000 2.157 344 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.248 344 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.248 344 G C 0.760 175.780 174.900 0.199 0.000 0.979 344 G CA 0.118 45.286 45.100 0.112 0.000 0.650 344 G HN 0.375 nan 8.290 nan 0.000 0.529 345 V N 0.816 120.872 119.914 0.236 0.000 2.307 345 V HA -0.121 3.999 4.120 -0.001 0.000 0.245 345 V C 2.739 178.919 176.094 0.143 0.000 1.045 345 V CA 2.731 65.201 62.300 0.284 0.000 1.024 345 V CB -0.444 31.499 31.823 0.200 0.000 0.651 345 V HN 0.588 nan 8.190 nan 0.000 0.449 346 M N 0.008 119.604 119.600 -0.007 0.000 2.159 346 M HA -0.170 4.309 4.480 -0.001 0.000 0.263 346 M C 2.164 178.420 176.300 -0.073 0.000 1.063 346 M CA 2.112 57.292 55.300 -0.200 0.000 1.110 346 M CB -0.280 32.123 32.600 -0.329 0.000 1.374 346 M HN 0.363 nan 8.290 nan 0.000 0.411 347 A N -0.763 122.049 122.820 -0.013 0.000 1.908 347 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 347 A C 1.803 179.393 177.584 0.010 0.000 1.181 347 A CA 2.272 54.308 52.037 -0.002 0.000 0.627 347 A CB -1.259 17.701 19.000 -0.066 0.000 0.818 347 A HN 0.783 nan 8.150 nan 0.000 0.445 348 H N -0.485 118.521 119.070 -0.107 0.000 2.321 348 H HA -0.099 4.456 4.556 -0.001 0.000 0.300 348 H C 2.011 177.225 175.328 -0.190 0.000 1.087 348 H CA 1.799 57.697 56.048 -0.249 0.000 1.319 348 H CB 0.101 29.588 29.762 -0.459 0.000 1.379 348 H HN 0.391 nan 8.280 nan 0.000 0.501 349 E N 0.419 120.738 120.200 0.199 0.000 2.077 349 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 349 E C 2.360 179.178 176.600 0.363 0.000 0.989 349 E CA 0.670 57.273 56.400 0.338 0.000 0.800 349 E CB -0.532 29.454 29.700 0.477 0.000 0.746 349 E HN 0.411 nan 8.360 nan 0.000 0.452 350 L N 1.125 122.581 121.223 0.389 0.000 2.079 350 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 350 L C 2.145 179.111 176.870 0.161 0.000 1.081 350 L CA 2.235 57.286 54.840 0.352 0.000 0.752 350 L CB -1.050 41.193 42.059 0.308 0.000 0.896 350 L HN 0.144 nan 8.230 nan 0.000 0.433 351 G N -1.674 107.171 108.800 0.074 0.000 2.446 351 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.217 351 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.217 351 G C 1.497 176.365 174.900 -0.054 0.000 1.168 351 G CA 0.991 46.100 45.100 0.016 0.000 0.771 351 G HN 0.523 nan 8.290 nan 0.000 0.551 352 H N 0.532 119.565 119.070 -0.061 0.000 2.319 352 H HA 0.012 4.568 4.556 -0.001 0.000 0.299 352 H C 2.767 178.085 175.328 -0.017 0.000 1.092 352 H CA 1.112 57.096 56.048 -0.107 0.000 1.302 352 H CB -0.426 29.290 29.762 -0.078 0.000 1.373 352 H HN 0.332 nan 8.280 nan 0.000 0.497 353 I N 0.570 121.259 120.570 0.199 0.000 2.208 353 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 353 I C 1.900 178.105 176.117 0.146 0.000 1.097 353 I CA 1.088 62.490 61.300 0.171 0.000 1.363 353 I CB -0.195 37.891 38.000 0.144 0.000 1.051 353 I HN 0.116 nan 8.210 nan 0.000 0.413 354 L N 0.113 121.400 121.223 0.107 0.000 2.599 354 L HA 0.133 4.473 4.340 -0.001 0.000 0.230 354 L C 1.478 178.365 176.870 0.029 0.000 1.141 354 L CA 0.655 55.545 54.840 0.084 0.000 0.877 354 L CB -0.265 41.817 42.059 0.038 0.000 1.009 354 L HN 0.526 nan 8.230 nan 0.000 0.447 355 G N -0.534 108.276 108.800 0.016 0.000 2.184 355 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.206 355 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.206 355 G C 0.357 175.219 174.900 -0.063 0.000 0.995 355 G CA -0.196 44.892 45.100 -0.020 0.000 0.651 355 G HN 0.425 nan 8.290 nan 0.000 0.511 356 A N 0.297 123.072 122.820 -0.075 0.000 2.425 356 A HA 0.619 4.939 4.320 -0.001 0.000 0.249 356 A C 0.521 178.049 177.584 -0.094 0.000 1.084 356 A CA 0.155 52.130 52.037 -0.103 0.000 0.781 356 A CB 0.271 19.194 19.000 -0.129 0.000 1.019 356 A HN 0.370 nan 8.150 nan 0.000 0.490 357 N N 0.132 118.767 118.700 -0.108 0.000 2.502 357 N HA 0.261 5.001 4.740 -0.001 0.000 0.280 357 N C -0.506 174.992 175.510 -0.019 0.000 1.223 357 N CA -0.375 52.576 53.050 -0.165 0.000 0.966 357 N CB 0.360 38.780 38.487 -0.113 0.000 1.203 357 N HN 0.769 nan 8.380 nan 0.000 0.565 358 H N -0.448 118.678 119.070 0.094 0.000 2.790 358 H HA 0.327 4.882 4.556 -0.001 0.000 0.358 358 H C 0.004 175.385 175.328 0.088 0.000 1.103 358 H CA -0.375 55.748 56.048 0.126 0.000 1.426 358 H CB 0.702 30.582 29.762 0.196 0.000 1.424 358 H HN 0.524 nan 8.280 nan 0.000 0.599 359 A N 1.930 124.899 122.820 0.249 0.000 2.322 359 A HA 0.203 4.523 4.320 -0.001 0.000 0.327 359 A C 0.276 178.010 177.584 0.250 0.000 1.134 359 A CA -0.738 51.414 52.037 0.191 0.000 0.831 359 A CB 1.041 20.134 19.000 0.155 0.000 1.288 359 A HN 0.809 nan 8.150 nan 0.000 0.472 360 D N -0.278 120.241 120.400 0.198 0.000 2.301 360 D HA 0.002 4.641 4.640 -0.001 0.000 0.206 360 D C -0.301 176.119 176.300 0.200 0.000 0.979 360 D CA 0.634 54.766 54.000 0.219 0.000 0.874 360 D CB 0.232 41.108 40.800 0.126 0.000 0.968 360 D HN 0.567 nan 8.370 nan 0.000 0.510 361 D N 1.045 121.494 120.400 0.081 0.000 2.343 361 D HA 0.037 4.676 4.640 -0.001 0.000 0.255 361 D C -1.763 174.339 176.300 -0.331 0.000 1.187 361 D CA -1.807 52.136 54.000 -0.094 0.000 0.875 361 D CB 2.041 42.783 40.800 -0.097 0.000 1.136 361 D HN -0.106 nan 8.370 nan 0.000 0.469 362 P HA -0.060 nan 4.420 nan 0.000 0.228 362 P C 0.405 177.270 177.300 -0.724 0.000 1.151 362 P CA 0.982 63.354 63.100 -1.212 0.000 0.770 362 P CB 0.241 31.479 31.700 -0.770 0.000 0.786 363 K N -1.161 118.866 120.400 -0.622 0.000 2.387 363 K HA 0.070 4.389 4.320 -0.001 0.000 0.198 363 K C 0.399 176.640 176.600 -0.598 0.000 1.022 363 K CA -0.122 55.572 56.287 -0.988 0.000 1.128 363 K CB 0.147 32.031 32.500 -1.027 0.000 0.853 363 K HN 0.132 nan 8.250 nan 0.000 0.523 364 D N 1.341 121.582 120.400 -0.264 0.000 2.304 364 D HA -0.017 4.622 4.640 -0.001 0.000 0.250 364 D C 1.088 177.396 176.300 0.013 0.000 1.107 364 D CA -0.205 53.751 54.000 -0.073 0.000 0.885 364 D CB 1.445 42.255 40.800 0.018 0.000 1.192 364 D HN -0.120 nan 8.370 nan 0.000 0.436 365 L N 4.739 125.945 121.223 -0.028 0.000 2.064 365 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 365 L C 1.725 178.622 176.870 0.045 0.000 1.077 365 L CA 1.837 56.641 54.840 -0.060 0.000 0.766 365 L CB -0.294 41.564 42.059 -0.335 0.000 0.890 365 L HN 0.522 nan 8.230 nan 0.000 0.435 366 M N -1.565 118.029 119.600 -0.009 0.000 2.505 366 M HA 0.060 4.540 4.480 -0.001 0.000 0.230 366 M C 0.141 176.581 176.300 0.233 0.000 1.153 366 M CA -0.413 54.881 55.300 -0.011 0.000 0.997 366 M CB -1.542 31.017 32.600 -0.069 0.000 1.606 366 M HN 0.220 nan 8.290 nan 0.000 0.481 367 Y N 1.524 121.883 120.300 0.099 0.000 2.683 367 Y HA -0.113 4.437 4.550 -0.001 0.000 0.340 367 Y C 1.691 177.634 175.900 0.072 0.000 1.245 367 Y CA 0.611 58.759 58.100 0.080 0.000 1.485 367 Y CB 0.921 39.407 38.460 0.043 0.000 1.328 367 Y HN 0.392 nan 8.280 nan 0.000 0.603 368 S N 2.539 117.891 115.700 -0.581 0.000 2.481 368 S HA 0.006 4.475 4.470 -0.001 0.000 0.231 368 S C 0.165 174.625 174.600 -0.233 0.000 0.996 368 S CA 0.363 58.182 58.200 -0.636 0.000 0.942 368 S CB -0.066 62.752 63.200 -0.636 0.000 0.768 368 S HN 0.377 nan 8.310 nan 0.000 0.520 369 K N 1.191 121.449 120.400 -0.238 0.000 2.098 369 K HA 0.308 4.627 4.320 -0.001 0.000 0.258 369 K C -0.841 175.899 176.600 0.233 0.000 0.973 369 K CA -0.986 55.326 56.287 0.042 0.000 0.898 369 K CB 0.358 32.935 32.500 0.127 0.000 1.057 369 K HN 0.317 nan 8.250 nan 0.000 0.447 370 Y N 1.396 121.687 120.300 -0.014 0.000 2.465 370 Y HA -0.046 4.504 4.550 -0.001 0.000 0.331 370 Y C 1.182 177.184 175.900 0.170 0.000 1.102 370 Y CA 0.764 58.863 58.100 -0.002 0.000 1.358 370 Y CB 0.558 38.890 38.460 -0.213 0.000 1.213 370 Y HN 0.746 nan 8.280 nan 0.000 0.525 371 T N 0.460 114.654 114.554 -0.599 0.000 2.954 371 T HA 0.290 4.639 4.350 -0.001 0.000 0.252 371 T C 1.397 175.873 174.700 -0.373 0.000 0.983 371 T CA 0.366 62.325 62.100 -0.234 0.000 0.941 371 T CB -0.028 68.905 68.868 0.109 0.000 1.141 371 T HN 1.244 nan 8.240 nan 0.000 0.500 372 G N 0.687 109.013 108.800 -0.790 0.000 2.199 372 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.254 372 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.254 372 G C -0.099 174.650 174.900 -0.251 0.000 0.982 372 G CA 0.121 45.000 45.100 -0.369 0.000 0.632 372 G HN 0.632 nan 8.290 nan 0.000 0.529 373 Y N -0.488 119.714 120.300 -0.164 0.000 2.304 373 Y HA 0.592 5.142 4.550 -0.001 0.000 0.327 373 Y C 1.628 177.429 175.900 -0.165 0.000 1.209 373 Y CA -0.033 58.003 58.100 -0.108 0.000 1.299 373 Y CB 0.953 39.365 38.460 -0.080 0.000 1.249 373 Y HN 0.008 nan 8.280 nan 0.000 0.519 374 L N 2.593 123.738 121.223 -0.130 0.000 2.906 374 L HA 0.314 4.653 4.340 -0.001 0.000 0.255 374 L C -1.199 175.165 176.870 -0.843 0.000 1.166 374 L CA 0.061 54.607 54.840 -0.491 0.000 0.977 374 L CB 0.181 41.860 42.059 -0.633 0.000 1.313 374 L HN 0.411 nan 8.230 nan 0.000 0.549 375 F N -1.606 118.315 119.950 -0.049 0.000 2.565 375 F HA 0.441 4.967 4.527 -0.001 0.000 0.313 375 F C 0.562 176.271 175.800 -0.152 0.000 1.091 375 F CA -1.026 56.918 58.000 -0.092 0.000 0.915 375 F CB 0.980 39.967 39.000 -0.022 0.000 1.208 375 F HN -0.111 nan 8.300 nan 0.000 0.453 376 H N 4.078 123.236 119.070 0.147 0.000 2.803 376 H HA 0.228 4.784 4.556 -0.001 0.000 0.330 376 H C 0.558 175.899 175.328 0.021 0.000 1.057 376 H CA 0.535 56.604 56.048 0.036 0.000 1.458 376 H CB 1.367 31.118 29.762 -0.019 0.000 1.470 376 H HN 0.649 nan 8.280 nan 0.000 0.560 377 L N 1.615 122.896 121.223 0.098 0.000 2.642 377 L HA 0.063 4.403 4.340 -0.001 0.000 0.233 377 L C 1.160 178.040 176.870 0.015 0.000 1.077 377 L CA 0.133 54.989 54.840 0.027 0.000 0.879 377 L CB 0.361 42.409 42.059 -0.017 0.000 1.151 377 L HN 0.345 nan 8.230 nan 0.000 0.495 378 S N 0.666 116.390 115.700 0.041 0.000 2.488 378 S HA 0.034 4.504 4.470 -0.001 0.000 0.278 378 S C 1.047 175.646 174.600 -0.001 0.000 1.259 378 S CA -0.287 57.929 58.200 0.026 0.000 1.061 378 S CB 0.719 63.947 63.200 0.046 0.000 0.910 378 S HN 0.250 nan 8.310 nan 0.000 0.491 379 E N 3.955 124.153 120.200 -0.002 0.000 2.150 379 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 379 E C 1.812 178.422 176.600 0.017 0.000 0.985 379 E CA 1.044 57.443 56.400 -0.003 0.000 0.814 379 E CB 0.049 29.760 29.700 0.020 0.000 0.752 379 E HN 0.700 nan 8.360 nan 0.000 0.466 380 K N 0.668 121.079 120.400 0.019 0.000 2.026 380 K HA -0.116 4.204 4.320 -0.001 0.000 0.208 380 K C 1.927 178.523 176.600 -0.007 0.000 1.048 380 K CA 1.123 57.422 56.287 0.020 0.000 0.929 380 K CB -0.081 32.431 32.500 0.021 0.000 0.713 380 K HN 0.014 nan 8.250 nan 0.000 0.439 381 N N 0.839 119.522 118.700 -0.029 0.000 2.166 381 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 381 N C 1.738 177.156 175.510 -0.154 0.000 1.019 381 N CA 1.267 54.267 53.050 -0.084 0.000 0.856 381 N CB -0.089 38.357 38.487 -0.067 0.000 0.993 381 N HN 0.191 nan 8.380 nan 0.000 0.426 382 M N 0.344 119.858 119.600 -0.143 0.000 2.117 382 M HA -0.136 4.344 4.480 -0.001 0.000 0.262 382 M C 1.025 177.274 176.300 -0.085 0.000 1.065 382 M CA 1.285 56.465 55.300 -0.200 0.000 1.114 382 M CB -0.202 32.232 32.600 -0.277 0.000 1.361 382 M HN -0.020 nan 8.290 nan 0.000 0.408 383 D N 0.709 121.118 120.400 0.015 0.000 2.117 383 D HA -0.068 4.572 4.640 -0.001 0.000 0.198 383 D C 1.879 178.204 176.300 0.041 0.000 0.982 383 D CA 1.231 55.267 54.000 0.061 0.000 0.828 383 D CB -0.273 40.613 40.800 0.144 0.000 0.967 383 D HN 0.334 nan 8.370 nan 0.000 0.464 384 I N 0.485 121.056 120.570 0.002 0.000 2.179 384 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 384 I C 2.294 178.395 176.117 -0.027 0.000 1.088 384 I CA 0.823 62.118 61.300 -0.007 0.000 1.357 384 I CB -0.133 37.849 38.000 -0.031 0.000 1.051 384 I HN -0.039 nan 8.210 nan 0.000 0.409 385 I N 0.577 121.094 120.570 -0.088 0.000 2.179 385 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 385 I C 2.742 178.819 176.117 -0.068 0.000 1.088 385 I CA 1.427 62.667 61.300 -0.101 0.000 1.357 385 I CB -0.438 37.430 38.000 -0.220 0.000 1.051 385 I HN 0.175 nan 8.210 nan 0.000 0.409 386 A N 0.530 123.282 122.820 -0.113 0.000 1.930 386 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 386 A C 2.298 179.906 177.584 0.040 0.000 1.175 386 A CA 1.510 53.452 52.037 -0.159 0.000 0.627 386 A CB -0.413 18.238 19.000 -0.583 0.000 0.815 386 A HN 0.304 nan 8.150 nan 0.000 0.443 387 K N -0.252 120.230 120.400 0.137 0.000 2.097 387 K HA -0.099 4.221 4.320 -0.001 0.000 0.206 387 K C 1.472 178.108 176.600 0.059 0.000 1.049 387 K CA 1.260 57.633 56.287 0.143 0.000 0.933 387 K CB -0.179 32.396 32.500 0.126 0.000 0.717 387 K HN 0.346 nan 8.250 nan 0.000 0.442 388 N N 0.795 119.522 118.700 0.044 0.000 2.453 388 N HA -0.070 4.670 4.740 -0.001 0.000 0.183 388 N C 1.155 176.715 175.510 0.082 0.000 1.041 388 N CA 0.861 53.937 53.050 0.043 0.000 0.900 388 N CB 0.156 38.677 38.487 0.057 0.000 0.961 388 N HN 0.178 nan 8.380 nan 0.000 0.443 389 L N -1.146 120.128 121.223 0.085 0.000 2.667 389 L HA 0.279 4.619 4.340 -0.001 0.000 0.232 389 L C 1.137 178.066 176.870 0.100 0.000 1.138 389 L CA 0.058 54.975 54.840 0.128 0.000 0.921 389 L CB 0.254 42.383 42.059 0.117 0.000 1.180 389 L HN 0.121 nan 8.230 nan 0.000 0.487 390 G N -0.804 108.024 108.800 0.047 0.000 2.179 390 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.220 390 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.220 390 G C -0.127 174.760 174.900 -0.023 0.000 0.990 390 G CA -0.304 44.843 45.100 0.078 0.000 0.646 390 G HN 0.333 nan 8.290 nan 0.000 0.517 391 W N 2.570 123.546 121.300 -0.539 0.000 2.184 391 W HA 0.609 5.268 4.660 -0.001 0.000 0.338 391 W C 0.435 176.796 176.519 -0.262 0.000 1.257 391 W CA 0.231 57.193 57.345 -0.640 0.000 1.243 391 W CB 0.573 29.537 29.460 -0.827 0.000 1.122 391 W HN 0.439 nan 8.180 nan 0.000 0.585 392 E N 4.569 124.116 120.200 -1.087 0.000 2.408 392 E HA 0.219 4.569 4.350 -0.001 0.000 0.275 392 E C 0.085 175.565 176.600 -1.867 0.000 0.935 392 E CA -0.834 54.812 56.400 -1.258 0.000 0.775 392 E CB 1.733 31.109 29.700 -0.540 0.000 1.277 392 E HN 0.679 nan 8.360 nan 0.000 0.455 393 I N 1.246 120.997 120.570 -1.364 0.000 2.335 393 I HA -0.241 3.929 4.170 -0.001 0.000 0.251 393 I C 2.117 177.980 176.117 -0.423 0.000 1.129 393 I CA 1.901 62.709 61.300 -0.819 0.000 1.402 393 I CB -0.149 37.652 38.000 -0.332 0.000 1.069 393 I HN 0.787 nan 8.210 nan 0.000 0.424 394 A N 0.083 122.683 122.820 -0.366 0.000 2.070 394 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 394 A C 1.714 179.212 177.584 -0.144 0.000 1.159 394 A CA 1.939 53.859 52.037 -0.194 0.000 0.656 394 A CB -0.544 18.360 19.000 -0.159 0.000 0.800 394 A HN 0.490 nan 8.150 nan 0.000 0.453 395 D N -0.744 119.525 120.400 -0.219 0.000 2.317 395 D HA 0.289 4.928 4.640 -0.001 0.000 0.211 395 D C 1.395 177.760 176.300 0.109 0.000 0.966 395 D CA 1.158 55.134 54.000 -0.041 0.000 0.876 395 D CB -0.285 40.531 40.800 0.028 0.000 0.927 395 D HN 0.626 nan 8.370 nan 0.000 0.519 396 G N 0.783 109.659 108.800 0.127 0.000 2.750 396 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.228 396 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.228 396 G C -0.606 174.564 174.900 0.449 0.000 1.367 396 G CA -0.360 44.890 45.100 0.251 0.000 0.871 396 G HN 0.109 nan 8.290 nan 0.000 0.560 397 D N 0.000 120.601 120.400 0.335 0.000 6.856 397 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 397 D CA 0.000 54.184 54.000 0.307 0.000 0.868 397 D CB 0.000 40.935 40.800 0.226 0.000 0.688 397 D HN 0.000 nan 8.370 nan 0.000 0.683