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 3icj_1_A DATA FIRST_RESID 34 DATA SEQUENCE CMKALINGTI YTSFSPVKKV SGLVISNERV LYAGDSSTAL RIAELAGGEI DATA SEQUENCE IDLKGKFVMP AFFDSHLHLD ELGMSLEMVD LRGVKSMEEL VERVKKGRGR DATA SEQUENCE IIFGFGWDQD ELGRWPTRED LDVIDRPVFL YRRCFHVAVM NSKMIDLLNL DATA SEQUENCE KPSKDFDEST GIVRERALEE SRKIINEKIL TVKDYKHYIE SAQEHLLSLG DATA SEQUENCE VHSVGFMSVG EKALKALFEL EREGRLKMNV FAYLSPELLD KLEELNLGKF DATA SEQUENCE EGRRLRIWGV XLFVDGSLGA RTALLSEPYT DNPTTSGELV MNKDEIVEVI DATA SEQUENCE ERAKPLGLDV AVHAIGDKAV DVALDAFEEA EFSGRIEHAS LVRDDQLERI DATA SEQUENCE KELKVRISAQ PHFIVSDWWI VNRVGEERAK WAYRLKTLSS ITKLGFSTDS DATA SEQUENCE PIEPADPWVS IDAAVNRYVV DPGERVSREE ALHLYTHGSA QVTLAEDLGK DATA SEQUENCE LERGFRAEYI ILDRDPLK 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 34 C HA 0.000 nan 4.460 nan 0.000 0.325 34 C C 0.000 175.013 174.990 0.038 0.000 1.270 34 C CA 0.000 59.037 59.018 0.032 0.000 1.963 34 C CB 0.000 27.762 27.740 0.037 0.000 2.134 35 M N 5.499 125.119 119.600 0.034 0.000 2.311 35 M HA 0.636 5.132 4.480 0.027 0.000 0.325 35 M C -1.166 175.155 176.300 0.035 0.000 1.061 35 M CA -0.178 55.142 55.300 0.035 0.000 0.957 35 M CB 1.512 34.127 32.600 0.025 0.000 1.646 35 M HN 0.784 nan 8.290 nan 0.000 0.434 36 K N 3.349 123.773 120.400 0.040 0.000 2.422 36 K HA 0.845 5.181 4.320 0.027 0.000 0.251 36 K C -1.709 174.899 176.600 0.013 0.000 0.933 36 K CA -0.921 55.385 56.287 0.031 0.000 0.798 36 K CB 2.205 34.735 32.500 0.050 0.000 1.238 36 K HN 0.614 nan 8.250 nan 0.000 0.428 37 A N 4.324 127.144 122.820 0.001 0.000 2.287 37 A HA 0.503 4.839 4.320 0.027 0.000 0.317 37 A C -0.567 176.997 177.584 -0.032 0.000 1.220 37 A CA -1.002 51.029 52.037 -0.010 0.000 0.835 37 A CB 0.341 19.339 19.000 -0.004 0.000 1.180 37 A HN 0.716 nan 8.150 nan 0.000 0.500 38 L N 4.458 125.640 121.223 -0.069 0.000 2.260 38 L HA 0.584 4.940 4.340 0.027 0.000 0.289 38 L C -0.026 176.799 176.870 -0.074 0.000 1.057 38 L CA -0.231 54.555 54.840 -0.091 0.000 0.811 38 L CB 0.249 42.200 42.059 -0.179 0.000 1.184 38 L HN 0.764 nan 8.230 nan 0.000 0.429 39 I N -0.275 120.260 120.570 -0.059 0.000 3.206 39 I HA 0.602 4.787 4.170 0.027 0.000 0.313 39 I C 0.376 176.452 176.117 -0.068 0.000 1.103 39 I CA -0.995 60.273 61.300 -0.053 0.000 0.985 39 I CB 1.670 39.649 38.000 -0.035 0.000 1.240 39 I HN 0.541 nan 8.210 nan 0.000 0.464 40 N N 0.885 119.543 118.700 -0.070 0.000 2.727 40 N HA -0.109 4.647 4.740 0.027 0.000 0.249 40 N C -0.579 174.860 175.510 -0.119 0.000 1.048 40 N CA 1.203 54.204 53.050 -0.082 0.000 0.714 40 N CB -1.016 37.434 38.487 -0.061 0.000 0.959 40 N HN 1.267 nan 8.380 nan 0.000 0.544 41 G N -2.362 106.347 108.800 -0.151 0.000 2.782 41 G HA2 0.652 4.628 3.960 0.027 0.000 0.304 41 G HA3 0.652 4.628 3.960 0.027 0.000 0.304 41 G C -1.384 173.354 174.900 -0.270 0.000 1.315 41 G CA -0.151 44.809 45.100 -0.232 0.000 0.791 41 G HN 0.141 nan 8.290 nan 0.000 0.519 42 T N 0.938 115.263 114.554 -0.382 0.000 2.772 42 T HA 0.551 4.917 4.350 0.027 0.000 0.288 42 T C -0.496 174.069 174.700 -0.224 0.000 0.994 42 T CA 0.071 61.971 62.100 -0.334 0.000 0.951 42 T CB 0.779 69.411 68.868 -0.393 0.000 0.933 42 T HN 0.339 nan 8.240 nan 0.000 0.447 43 I N 3.561 123.986 120.570 -0.242 0.000 2.355 43 I HA 0.319 4.505 4.170 0.027 0.000 0.288 43 I C -0.709 175.244 176.117 -0.273 0.000 0.999 43 I CA -0.881 60.311 61.300 -0.179 0.000 1.163 43 I CB 0.890 38.790 38.000 -0.166 0.000 1.316 43 I HN 0.571 nan 8.210 nan 0.000 0.454 44 Y N 4.335 124.567 120.300 -0.113 0.000 2.436 44 Y HA 0.120 4.687 4.550 0.028 0.000 0.336 44 Y C 1.789 177.476 175.900 -0.355 0.000 1.049 44 Y CA -0.172 57.749 58.100 -0.298 0.000 1.294 44 Y CB 0.862 39.017 38.460 -0.508 0.000 1.179 44 Y HN 0.662 nan 8.280 nan 0.000 0.520 45 T N -2.119 112.292 114.554 -0.239 0.000 3.037 45 T HA 0.196 4.562 4.350 0.027 0.000 0.251 45 T C 0.477 174.963 174.700 -0.356 0.000 1.079 45 T CA 0.296 62.231 62.100 -0.275 0.000 1.067 45 T CB 0.228 68.940 68.868 -0.259 0.000 0.948 45 T HN 0.420 nan 8.240 nan 0.000 0.496 46 S N -1.103 114.354 115.700 -0.406 0.000 2.543 46 S HA 0.584 5.070 4.470 0.027 0.000 0.274 46 S C -1.490 172.832 174.600 -0.464 0.000 1.149 46 S CA -0.763 57.213 58.200 -0.373 0.000 0.866 46 S CB 0.738 63.777 63.200 -0.268 0.000 1.111 46 S HN 0.111 nan 8.310 nan 0.000 0.457 47 F N 1.707 121.654 119.950 -0.005 0.000 2.706 47 F HA 0.479 5.024 4.527 0.030 0.000 0.313 47 F C 1.200 176.954 175.800 -0.077 0.000 1.096 47 F CA -0.164 57.831 58.000 -0.009 0.000 1.219 47 F CB 1.265 40.270 39.000 0.008 0.000 1.051 47 F HN 0.454 nan 8.300 nan 0.000 0.568 48 S N 2.227 117.893 115.700 -0.056 0.000 2.383 48 S HA 0.397 4.883 4.470 0.027 0.000 0.196 48 S C -2.644 171.840 174.600 -0.194 0.000 1.364 48 S CA -1.060 56.990 58.200 -0.250 0.000 1.212 48 S CB 0.215 62.939 63.200 -0.795 0.000 1.171 48 S HN -0.099 nan 8.310 nan 0.000 0.456 49 P HA 0.324 nan 4.420 nan 0.000 0.276 49 P C -0.337 176.937 177.300 -0.042 0.000 1.252 49 P CA -0.497 62.565 63.100 -0.064 0.000 0.802 49 P CB 0.654 32.324 31.700 -0.050 0.000 1.035 50 V N 1.968 121.893 119.914 0.018 0.000 2.540 50 V HA 0.020 4.156 4.120 0.027 0.000 0.297 50 V C 0.876 176.969 176.094 -0.000 0.000 1.024 50 V CA 0.725 63.057 62.300 0.053 0.000 1.105 50 V CB -0.618 31.302 31.823 0.160 0.000 0.938 50 V HN 0.554 nan 8.190 nan 0.000 0.482 51 K N 5.122 125.490 120.400 -0.054 0.000 2.507 51 K HA 0.526 4.862 4.320 0.027 0.000 0.251 51 K C -1.066 175.441 176.600 -0.155 0.000 0.943 51 K CA -0.818 55.409 56.287 -0.100 0.000 0.794 51 K CB 1.543 33.962 32.500 -0.135 0.000 1.188 51 K HN 0.627 nan 8.250 nan 0.000 0.428 52 K N 2.375 122.662 120.400 -0.188 0.000 2.259 52 K HA 0.462 4.798 4.320 0.027 0.000 0.252 52 K C -0.487 175.977 176.600 -0.227 0.000 0.936 52 K CA -0.905 55.199 56.287 -0.306 0.000 0.810 52 K CB 2.067 34.350 32.500 -0.361 0.000 1.143 52 K HN 0.399 nan 8.250 nan 0.000 0.427 53 V N -1.668 118.103 119.914 -0.238 0.000 3.155 53 V HA 0.518 4.654 4.120 0.027 0.000 0.313 53 V C 0.451 176.438 176.094 -0.180 0.000 1.162 53 V CA -0.583 61.602 62.300 -0.192 0.000 1.048 53 V CB 1.851 33.549 31.823 -0.209 0.000 1.092 53 V HN 0.849 nan 8.190 nan 0.000 0.447 54 S N -0.792 114.828 115.700 -0.133 0.000 2.523 54 S HA 0.574 5.060 4.470 0.027 0.000 0.217 54 S C 0.678 175.223 174.600 -0.091 0.000 0.996 54 S CA 0.310 58.439 58.200 -0.119 0.000 0.921 54 S CB 0.169 63.314 63.200 -0.093 0.000 0.829 54 S HN 1.833 nan 8.310 nan 0.000 0.495 55 G N 0.859 109.618 108.800 -0.069 0.000 2.719 55 G HA2 0.650 4.626 3.960 0.027 0.000 0.298 55 G HA3 0.650 4.626 3.960 0.027 0.000 0.298 55 G C -2.127 172.753 174.900 -0.033 0.000 1.411 55 G CA -0.639 44.447 45.100 -0.024 0.000 0.991 55 G HN 0.259 nan 8.290 nan 0.000 0.509 56 L N 2.140 123.339 121.223 -0.040 0.000 2.439 56 L HA 0.662 5.017 4.340 0.027 0.000 0.270 56 L C -0.741 176.128 176.870 -0.003 0.000 0.972 56 L CA -0.654 54.152 54.840 -0.056 0.000 0.836 56 L CB 2.207 44.175 42.059 -0.153 0.000 1.255 56 L HN 0.363 nan 8.230 nan 0.000 0.404 57 V N 6.283 126.245 119.914 0.080 0.000 2.394 57 V HA 0.519 4.655 4.120 0.027 0.000 0.282 57 V C 0.041 176.170 176.094 0.057 0.000 1.031 57 V CA -0.340 62.005 62.300 0.075 0.000 0.881 57 V CB 1.462 33.355 31.823 0.116 0.000 0.982 57 V HN 0.572 nan 8.190 nan 0.000 0.451 58 I N 4.421 125.017 120.570 0.043 0.000 2.509 58 I HA 0.668 4.854 4.170 0.027 0.000 0.293 58 I C -0.186 175.971 176.117 0.066 0.000 1.020 58 I CA -0.027 61.311 61.300 0.063 0.000 1.088 58 I CB 2.282 40.330 38.000 0.080 0.000 1.267 58 I HN 0.762 nan 8.210 nan 0.000 0.430 59 S N 4.205 119.947 115.700 0.069 0.000 2.543 59 S HA 0.447 4.933 4.470 0.027 0.000 0.271 59 S C -0.362 174.274 174.600 0.059 0.000 1.148 59 S CA -0.838 57.397 58.200 0.059 0.000 0.914 59 S CB 1.613 64.841 63.200 0.046 0.000 1.096 59 S HN 0.731 nan 8.310 nan 0.000 0.471 60 N N 1.824 120.556 118.700 0.054 0.000 2.735 60 N HA -0.180 4.576 4.740 0.027 0.000 0.248 60 N C -0.362 175.183 175.510 0.059 0.000 1.083 60 N CA 1.309 54.388 53.050 0.049 0.000 0.703 60 N CB -1.252 37.259 38.487 0.040 0.000 1.005 60 N HN 1.015 nan 8.380 nan 0.000 0.550 61 E N -2.368 117.877 120.200 0.075 0.000 2.868 61 E HA -0.257 4.109 4.350 0.027 0.000 0.278 61 E C -0.284 176.379 176.600 0.105 0.000 1.009 61 E CA 1.084 57.539 56.400 0.092 0.000 0.856 61 E CB -0.501 29.241 29.700 0.070 0.000 1.428 61 E HN 0.506 nan 8.360 nan 0.000 0.423 62 R N -0.370 120.191 120.500 0.101 0.000 2.837 62 R HA 0.551 4.907 4.340 0.027 0.000 0.271 62 R C -0.455 175.911 176.300 0.110 0.000 0.993 62 R CA -1.070 55.095 56.100 0.109 0.000 0.931 62 R CB 1.691 32.041 30.300 0.082 0.000 1.206 62 R HN -0.097 nan 8.270 nan 0.000 0.474 63 V N 3.087 123.076 119.914 0.124 0.000 2.508 63 V HA 0.003 4.139 4.120 0.027 0.000 0.281 63 V C 1.057 177.206 176.094 0.091 0.000 1.041 63 V CA 0.144 62.503 62.300 0.099 0.000 1.016 63 V CB 1.080 32.960 31.823 0.094 0.000 0.984 63 V HN 0.619 nan 8.190 nan 0.000 0.478 64 L N 5.839 127.116 121.223 0.091 0.000 2.316 64 L HA 0.382 4.738 4.340 0.027 0.000 0.207 64 L C -0.010 176.957 176.870 0.163 0.000 1.070 64 L CA 1.086 55.990 54.840 0.107 0.000 0.820 64 L CB 0.169 42.286 42.059 0.097 0.000 0.992 64 L HN 0.656 nan 8.230 nan 0.000 0.466 65 Y N -0.112 120.189 120.300 0.002 0.000 2.482 65 Y HA 0.626 5.192 4.550 0.027 0.000 0.334 65 Y C -1.436 174.447 175.900 -0.029 0.000 1.091 65 Y CA -0.836 57.257 58.100 -0.012 0.000 1.027 65 Y CB 1.309 39.759 38.460 -0.018 0.000 1.306 65 Y HN -0.029 nan 8.280 nan 0.000 0.446 66 A N 3.808 126.178 122.820 -0.751 0.000 2.357 66 A HA 0.915 5.251 4.320 0.027 0.000 0.295 66 A C -0.270 176.769 177.584 -0.908 0.000 1.121 66 A CA 0.178 51.838 52.037 -0.628 0.000 0.742 66 A CB 0.781 19.579 19.000 -0.336 0.000 1.181 66 A HN 1.653 nan 8.150 nan 0.000 0.454 67 G N 0.845 109.236 108.800 -0.682 0.000 2.485 67 G HA2 0.382 4.358 3.960 0.027 0.000 0.182 67 G HA3 0.382 4.358 3.960 0.027 0.000 0.182 67 G C -1.678 173.205 174.900 -0.029 0.000 1.172 67 G CA -0.630 44.249 45.100 -0.367 0.000 0.996 67 G HN 0.528 nan 8.290 nan 0.000 0.496 68 D N 1.099 121.585 120.400 0.144 0.000 2.493 68 D HA 0.255 4.911 4.640 0.027 0.000 0.240 68 D C 1.468 177.838 176.300 0.116 0.000 1.142 68 D CA 0.732 54.794 54.000 0.102 0.000 0.872 68 D CB 1.827 42.681 40.800 0.090 0.000 1.173 68 D HN 0.291 nan 8.370 nan 0.000 0.467 69 S N 2.249 117.969 115.700 0.033 0.000 2.365 69 S HA -0.232 4.254 4.470 0.027 0.000 0.225 69 S C 2.012 176.616 174.600 0.007 0.000 1.039 69 S CA 2.124 60.330 58.200 0.010 0.000 1.033 69 S CB -0.046 63.138 63.200 -0.026 0.000 0.887 69 S HN 0.588 nan 8.310 nan 0.000 0.447 70 S N 0.026 115.725 115.700 -0.002 0.000 2.368 70 S HA -0.092 4.394 4.470 0.027 0.000 0.224 70 S C 1.969 176.543 174.600 -0.043 0.000 1.029 70 S CA 1.666 59.853 58.200 -0.021 0.000 0.988 70 S CB -1.442 61.745 63.200 -0.021 0.000 0.838 70 S HN 0.584 nan 8.310 nan 0.000 0.462 71 T N 2.801 117.328 114.554 -0.046 0.000 2.746 71 T HA 0.074 4.440 4.350 0.027 0.000 0.267 71 T C 2.241 176.794 174.700 -0.245 0.000 1.039 71 T CA 1.414 63.417 62.100 -0.162 0.000 1.142 71 T CB -0.869 67.883 68.868 -0.194 0.000 0.866 71 T HN 0.631 nan 8.240 nan 0.000 0.444 72 A N 1.341 124.100 122.820 -0.101 0.000 1.908 72 A HA -0.040 4.296 4.320 0.027 0.000 0.218 72 A C 2.242 179.795 177.584 -0.052 0.000 1.181 72 A CA 1.345 53.361 52.037 -0.035 0.000 0.627 72 A CB -0.802 18.270 19.000 0.121 0.000 0.818 72 A HN 0.405 nan 8.150 nan 0.000 0.445 73 L N -0.430 120.767 121.223 -0.042 0.000 2.046 73 L HA -0.080 4.276 4.340 0.027 0.000 0.208 73 L C 2.362 179.200 176.870 -0.053 0.000 1.077 73 L CA 2.445 57.261 54.840 -0.040 0.000 0.747 73 L CB -0.689 41.351 42.059 -0.032 0.000 0.896 73 L HN 0.379 nan 8.230 nan 0.000 0.432 74 R N -0.228 120.227 120.500 -0.074 0.000 2.092 74 R HA -0.071 4.285 4.340 0.027 0.000 0.231 74 R C 2.194 178.442 176.300 -0.087 0.000 1.119 74 R CA 1.782 57.836 56.100 -0.077 0.000 0.970 74 R CB -0.543 29.705 30.300 -0.087 0.000 0.864 74 R HN 0.513 nan 8.270 nan 0.000 0.440 75 I N 0.008 120.504 120.570 -0.122 0.000 2.179 75 I HA -0.258 3.928 4.170 0.027 0.000 0.242 75 I C 2.255 178.334 176.117 -0.063 0.000 1.088 75 I CA 1.476 62.708 61.300 -0.113 0.000 1.357 75 I CB -0.420 37.480 38.000 -0.166 0.000 1.051 75 I HN 0.289 nan 8.210 nan 0.000 0.409 76 A N 0.156 122.947 122.820 -0.049 0.000 1.969 76 A HA -0.186 4.150 4.320 0.027 0.000 0.218 76 A C 2.176 179.745 177.584 -0.024 0.000 1.169 76 A CA 1.393 53.414 52.037 -0.026 0.000 0.635 76 A CB -0.484 18.505 19.000 -0.018 0.000 0.810 76 A HN 0.430 nan 8.150 nan 0.000 0.445 77 E N -0.186 119.996 120.200 -0.030 0.000 2.077 77 E HA -0.133 4.232 4.350 0.027 0.000 0.193 77 E C 1.870 178.456 176.600 -0.025 0.000 0.989 77 E CA 1.167 57.551 56.400 -0.026 0.000 0.800 77 E CB -0.241 29.442 29.700 -0.029 0.000 0.746 77 E HN 0.630 nan 8.360 nan 0.000 0.452 78 L N 0.024 121.228 121.223 -0.031 0.000 2.109 78 L HA -0.084 4.272 4.340 0.027 0.000 0.207 78 L C 2.247 179.104 176.870 -0.021 0.000 1.086 78 L CA 0.936 55.760 54.840 -0.028 0.000 0.760 78 L CB -0.136 41.901 42.059 -0.036 0.000 0.910 78 L HN 0.109 nan 8.230 nan 0.000 0.437 79 A N -0.743 122.065 122.820 -0.020 0.000 2.308 79 A HA 0.361 4.697 4.320 0.027 0.000 0.217 79 A C 1.540 179.121 177.584 -0.006 0.000 1.216 79 A CA 0.551 52.581 52.037 -0.012 0.000 0.864 79 A CB -0.159 18.835 19.000 -0.010 0.000 0.902 79 A HN 0.446 nan 8.150 nan 0.000 0.499 80 G N -0.778 108.018 108.800 -0.008 0.000 2.225 80 G HA2 0.015 3.991 3.960 0.027 0.000 0.264 80 G HA3 0.015 3.991 3.960 0.027 0.000 0.264 80 G C 0.581 175.482 174.900 0.001 0.000 1.060 80 G CA 0.363 45.461 45.100 -0.003 0.000 0.833 80 G HN 1.252 nan 8.290 nan 0.000 0.498 81 G N -1.184 107.617 108.800 0.001 0.000 2.547 81 G HA2 0.574 4.549 3.960 0.027 0.000 0.291 81 G HA3 0.574 4.549 3.960 0.027 0.000 0.291 81 G C -0.038 174.866 174.900 0.007 0.000 1.211 81 G CA -0.134 44.970 45.100 0.007 0.000 0.950 81 G HN 0.438 nan 8.290 nan 0.000 0.504 82 E N -0.418 119.789 120.200 0.013 0.000 2.338 82 E HA 0.141 4.507 4.350 0.027 0.000 0.272 82 E C -0.231 176.375 176.600 0.009 0.000 1.029 82 E CA -0.453 55.956 56.400 0.014 0.000 0.872 82 E CB 0.577 30.290 29.700 0.023 0.000 1.015 82 E HN 0.063 nan 8.360 nan 0.000 0.417 83 I N 5.831 126.404 120.570 0.005 0.000 2.321 83 I HA 0.241 4.427 4.170 0.027 0.000 0.291 83 I C 0.087 176.205 176.117 0.002 0.000 0.998 83 I CA -0.565 60.734 61.300 -0.001 0.000 1.227 83 I CB 0.671 38.668 38.000 -0.006 0.000 1.368 83 I HN 0.420 nan 8.210 nan 0.000 0.466 84 I N 5.178 125.747 120.570 -0.001 0.000 2.328 84 I HA 0.191 4.377 4.170 0.027 0.000 0.287 84 I C 0.124 176.233 176.117 -0.013 0.000 1.012 84 I CA -0.343 60.959 61.300 0.002 0.000 1.195 84 I CB 1.478 39.486 38.000 0.014 0.000 1.350 84 I HN 0.463 nan 8.210 nan 0.000 0.464 85 D N 6.938 127.332 120.400 -0.010 0.000 2.339 85 D HA 0.189 4.845 4.640 0.027 0.000 0.241 85 D C 1.081 177.367 176.300 -0.023 0.000 1.183 85 D CA -0.220 53.768 54.000 -0.021 0.000 0.859 85 D CB 1.362 42.151 40.800 -0.017 0.000 1.067 85 D HN 0.430 nan 8.370 nan 0.000 0.484 86 L N 3.453 124.651 121.223 -0.041 0.000 2.275 86 L HA -0.061 4.295 4.340 0.027 0.000 0.215 86 L C 1.237 178.077 176.870 -0.051 0.000 1.119 86 L CA 0.436 55.248 54.840 -0.046 0.000 0.790 86 L CB -0.359 41.653 42.059 -0.079 0.000 0.919 86 L HN 0.461 nan 8.230 nan 0.000 0.443 87 K N 0.261 120.628 120.400 -0.056 0.000 3.148 87 K HA -0.239 4.097 4.320 0.027 0.000 0.267 87 K C 0.962 177.515 176.600 -0.079 0.000 0.996 87 K CA 0.262 56.517 56.287 -0.053 0.000 0.737 87 K CB -2.094 30.390 32.500 -0.026 0.000 1.308 87 K HN 0.622 nan 8.250 nan 0.000 0.470 88 G N -0.258 108.462 108.800 -0.133 0.000 2.179 88 G HA2 -0.360 3.615 3.960 0.027 0.000 0.260 88 G HA3 -0.360 3.615 3.960 0.027 0.000 0.260 88 G C 0.220 174.913 174.900 -0.346 0.000 0.977 88 G CA 0.851 45.822 45.100 -0.215 0.000 0.641 88 G HN 0.393 nan 8.290 nan 0.000 0.533 89 K N -0.747 119.519 120.400 -0.224 0.000 2.149 89 K HA 0.546 4.882 4.320 0.027 0.000 0.245 89 K C -0.147 176.265 176.600 -0.314 0.000 1.024 89 K CA -0.128 56.067 56.287 -0.153 0.000 0.899 89 K CB 0.304 32.809 32.500 0.008 0.000 1.038 89 K HN 0.097 nan 8.250 nan 0.000 0.496 90 F N 0.352 120.340 119.950 0.063 0.000 2.450 90 F HA 0.337 4.881 4.527 0.029 0.000 0.332 90 F C 0.040 175.910 175.800 0.117 0.000 1.093 90 F CA -0.962 57.096 58.000 0.097 0.000 1.003 90 F CB 1.430 40.535 39.000 0.175 0.000 1.151 90 F HN -0.006 nan 8.300 nan 0.000 0.474 91 V N 4.295 124.364 119.914 0.258 0.000 2.715 91 V HA 0.671 4.807 4.120 0.027 0.000 0.310 91 V C -0.186 176.071 176.094 0.271 0.000 1.054 91 V CA -0.785 61.637 62.300 0.203 0.000 0.928 91 V CB 1.898 33.744 31.823 0.037 0.000 1.007 91 V HN 0.813 nan 8.190 nan 0.000 0.437 92 M N 3.050 122.785 119.600 0.226 0.000 2.569 92 M HA 0.738 5.234 4.480 0.027 0.000 0.279 92 M C -3.181 173.159 176.300 0.067 0.000 1.253 92 M CA -2.033 53.378 55.300 0.184 0.000 0.867 92 M CB 2.416 35.193 32.600 0.295 0.000 1.727 92 M HN 0.246 nan 8.290 nan 0.000 0.467 93 P HA 0.173 nan 4.420 nan 0.000 0.266 93 P C -0.625 176.568 177.300 -0.178 0.000 1.195 93 P CA 0.106 63.187 63.100 -0.031 0.000 0.768 93 P CB 0.419 32.111 31.700 -0.014 0.000 0.838 94 A N 3.554 126.234 122.820 -0.234 0.000 2.466 94 A HA 0.244 4.580 4.320 0.027 0.000 0.238 94 A C -0.083 177.320 177.584 -0.302 0.000 1.074 94 A CA -0.083 51.696 52.037 -0.429 0.000 0.774 94 A CB -0.563 17.957 19.000 -0.801 0.000 1.015 94 A HN 0.383 nan 8.150 nan 0.000 0.498 95 F N -0.157 119.693 119.950 -0.167 0.000 2.506 95 F HA 0.323 4.870 4.527 0.033 0.000 0.351 95 F C 0.172 176.021 175.800 0.082 0.000 1.136 95 F CA 0.861 58.792 58.000 -0.115 0.000 1.298 95 F CB 0.370 39.146 39.000 -0.373 0.000 1.145 95 F HN 0.434 nan 8.300 nan 0.000 0.593 96 F N 2.845 122.965 119.950 0.283 0.000 2.577 96 F HA 0.209 4.751 4.527 0.025 0.000 0.344 96 F C -0.521 175.440 175.800 0.268 0.000 1.145 96 F CA -1.005 57.121 58.000 0.210 0.000 0.996 96 F CB 0.531 39.605 39.000 0.122 0.000 1.248 96 F HN 0.341 nan 8.300 nan 0.000 0.447 97 D N 3.709 124.429 120.400 0.534 0.000 2.365 97 D HA 0.066 4.722 4.640 0.027 0.000 0.237 97 D C 0.858 177.377 176.300 0.364 0.000 1.190 97 D CA 0.095 54.332 54.000 0.394 0.000 0.867 97 D CB 1.551 42.502 40.800 0.251 0.000 1.050 97 D HN 0.596 nan 8.370 nan 0.000 0.491 98 S N 2.717 118.552 115.700 0.226 0.000 2.561 98 S HA -0.057 4.429 4.470 0.027 0.000 0.225 98 S C 0.644 175.297 174.600 0.089 0.000 0.977 98 S CA 0.143 58.428 58.200 0.142 0.000 0.926 98 S CB -0.113 63.033 63.200 -0.091 0.000 0.769 98 S HN 0.668 nan 8.310 nan 0.000 0.533 99 H N -0.149 118.899 119.070 -0.036 0.000 3.277 99 H HA 0.537 5.109 4.556 0.027 0.000 0.329 99 H C -1.181 174.099 175.328 -0.080 0.000 1.034 99 H CA -1.016 54.971 56.048 -0.103 0.000 1.530 99 H CB 0.542 30.200 29.762 -0.173 0.000 1.837 99 H HN 0.263 nan 8.280 nan 0.000 0.493 100 L N 0.861 122.044 121.223 -0.068 0.000 2.654 100 L HA 0.527 4.883 4.340 0.027 0.000 0.257 100 L C -1.367 175.327 176.870 -0.292 0.000 1.093 100 L CA -0.960 53.847 54.840 -0.056 0.000 0.903 100 L CB 1.641 43.718 42.059 0.031 0.000 1.520 100 L HN 0.550 nan 8.230 nan 0.000 0.402 101 H N 1.501 120.613 119.070 0.071 0.000 2.786 101 H HA 0.465 5.036 4.556 0.025 0.000 0.284 101 H C 0.481 175.695 175.328 -0.190 0.000 1.104 101 H CA -0.383 55.714 56.048 0.081 0.000 1.339 101 H CB 1.841 31.705 29.762 0.169 0.000 1.427 101 H HN 0.587 nan 8.280 nan 0.000 0.497 102 L N 1.220 122.032 121.223 -0.684 0.000 2.046 102 L HA -0.223 4.133 4.340 0.027 0.000 0.208 102 L C 2.081 178.789 176.870 -0.270 0.000 1.077 102 L CA 1.474 55.934 54.840 -0.634 0.000 0.747 102 L CB -0.119 41.297 42.059 -1.073 0.000 0.896 102 L HN 0.548 nan 8.230 nan 0.000 0.432 103 D N -0.155 120.201 120.400 -0.073 0.000 2.097 103 D HA -0.234 4.422 4.640 0.027 0.000 0.195 103 D C 1.762 178.020 176.300 -0.071 0.000 0.989 103 D CA 1.339 55.424 54.000 0.142 0.000 0.827 103 D CB -0.500 40.592 40.800 0.486 0.000 0.966 103 D HN 0.352 nan 8.370 nan 0.000 0.456 104 E N -0.295 119.888 120.200 -0.028 0.000 2.110 104 E HA -0.105 4.261 4.350 0.027 0.000 0.193 104 E C 2.128 178.616 176.600 -0.188 0.000 0.988 104 E CA 0.412 56.723 56.400 -0.148 0.000 0.804 104 E CB -0.170 29.479 29.700 -0.084 0.000 0.745 104 E HN 0.173 nan 8.360 nan 0.000 0.458 105 L N 0.849 122.003 121.223 -0.116 0.000 2.012 105 L HA -0.079 4.277 4.340 0.027 0.000 0.210 105 L C 2.183 178.958 176.870 -0.158 0.000 1.073 105 L CA 2.328 57.089 54.840 -0.132 0.000 0.748 105 L CB -0.994 41.014 42.059 -0.085 0.000 0.891 105 L HN 0.081 nan 8.230 nan 0.000 0.431 106 G N -0.559 108.165 108.800 -0.126 0.000 2.440 106 G HA2 -0.371 3.605 3.960 0.027 0.000 0.218 106 G HA3 -0.371 3.605 3.960 0.027 0.000 0.218 106 G C 1.589 176.388 174.900 -0.169 0.000 1.154 106 G CA 1.155 46.225 45.100 -0.050 0.000 0.767 106 G HN 0.481 nan 8.290 nan 0.000 0.552 107 M N 1.213 120.462 119.600 -0.586 0.000 2.108 107 M HA -0.012 4.484 4.480 0.027 0.000 0.261 107 M C 2.517 178.632 176.300 -0.307 0.000 1.066 107 M CA 2.265 57.086 55.300 -0.798 0.000 1.107 107 M CB -0.530 31.496 32.600 -0.955 0.000 1.356 107 M HN 0.169 nan 8.290 nan 0.000 0.406 108 S N -0.236 115.306 115.700 -0.263 0.000 2.368 108 S HA -0.079 4.407 4.470 0.027 0.000 0.225 108 S C 1.858 176.391 174.600 -0.111 0.000 1.030 108 S CA 1.461 59.534 58.200 -0.213 0.000 0.999 108 S CB -0.514 62.521 63.200 -0.274 0.000 0.844 108 S HN 0.628 nan 8.310 nan 0.000 0.459 109 L N 0.589 121.749 121.223 -0.104 0.000 2.141 109 L HA 0.006 4.362 4.340 0.027 0.000 0.209 109 L C 2.530 179.441 176.870 0.068 0.000 1.094 109 L CA 1.263 56.073 54.840 -0.049 0.000 0.763 109 L CB -0.371 41.627 42.059 -0.100 0.000 0.908 109 L HN 0.264 nan 8.230 nan 0.000 0.437 110 E N -0.745 119.522 120.200 0.112 0.000 2.371 110 E HA 0.043 4.409 4.350 0.027 0.000 0.194 110 E C 0.754 177.492 176.600 0.229 0.000 1.012 110 E CA 0.102 56.621 56.400 0.199 0.000 0.860 110 E CB 0.136 30.017 29.700 0.303 0.000 0.811 110 E HN 0.280 nan 8.360 nan 0.000 0.502 111 M N 0.779 120.526 119.600 0.245 0.000 2.248 111 M HA 0.017 4.513 4.480 0.027 0.000 0.337 111 M C -0.221 176.292 176.300 0.355 0.000 1.121 111 M CA -0.110 55.412 55.300 0.370 0.000 1.155 111 M CB 0.914 33.806 32.600 0.486 0.000 1.514 111 M HN -0.206 nan 8.290 nan 0.000 0.452 112 V N 2.633 122.724 119.914 0.295 0.000 2.479 112 V HA -0.023 4.113 4.120 0.027 0.000 0.281 112 V C 0.202 176.306 176.094 0.016 0.000 1.031 112 V CA -0.112 62.280 62.300 0.154 0.000 1.038 112 V CB 0.610 32.498 31.823 0.108 0.000 0.981 112 V HN 0.656 nan 8.190 nan 0.000 0.478 113 D N 4.995 125.349 120.400 -0.077 0.000 2.336 113 D HA 0.209 4.865 4.640 0.027 0.000 0.249 113 D C 0.378 176.483 176.300 -0.326 0.000 1.213 113 D CA 0.103 53.869 54.000 -0.390 0.000 0.870 113 D CB 0.951 41.678 40.800 -0.121 0.000 1.076 113 D HN 0.476 nan 8.370 nan 0.000 0.483 114 L N 3.589 124.535 121.223 -0.460 0.000 2.910 114 L HA 0.272 4.628 4.340 0.027 0.000 0.252 114 L C 0.915 177.682 176.870 -0.171 0.000 1.195 114 L CA -0.341 54.375 54.840 -0.207 0.000 1.003 114 L CB 0.185 42.204 42.059 -0.067 0.000 1.328 114 L HN 0.044 nan 8.230 nan 0.000 0.540 115 R N 0.609 120.971 120.500 -0.231 0.000 2.442 115 R HA 0.332 4.688 4.340 0.027 0.000 0.291 115 R C 1.160 177.422 176.300 -0.064 0.000 1.069 115 R CA 0.695 56.721 56.100 -0.123 0.000 1.022 115 R CB 0.543 30.793 30.300 -0.084 0.000 0.976 115 R HN 0.288 nan 8.270 nan 0.000 0.443 116 G N 1.601 110.377 108.800 -0.040 0.000 2.148 116 G HA2 -0.257 3.719 3.960 0.027 0.000 0.254 116 G HA3 -0.257 3.719 3.960 0.027 0.000 0.254 116 G C 0.149 175.034 174.900 -0.024 0.000 0.981 116 G CA -0.063 45.021 45.100 -0.026 0.000 0.670 116 G HN 0.446 nan 8.290 nan 0.000 0.528 117 V N 1.216 121.115 119.914 -0.024 0.000 2.521 117 V HA 0.228 4.363 4.120 0.027 0.000 0.286 117 V C 1.453 177.535 176.094 -0.021 0.000 1.034 117 V CA 0.376 62.663 62.300 -0.022 0.000 1.045 117 V CB 1.407 33.217 31.823 -0.022 0.000 0.974 117 V HN 0.250 nan 8.190 nan 0.000 0.480 118 K N 2.598 122.984 120.400 -0.024 0.000 2.356 118 K HA 0.151 4.487 4.320 0.027 0.000 0.195 118 K C 0.708 177.291 176.600 -0.029 0.000 1.037 118 K CA 0.474 56.747 56.287 -0.024 0.000 1.014 118 K CB 0.489 32.976 32.500 -0.020 0.000 0.815 118 K HN 0.797 nan 8.250 nan 0.000 0.507 119 S N -1.242 114.438 115.700 -0.034 0.000 2.579 119 S HA 0.318 4.804 4.470 0.027 0.000 0.272 119 S C 0.587 175.155 174.600 -0.053 0.000 1.141 119 S CA -0.729 57.447 58.200 -0.040 0.000 0.843 119 S CB 1.469 64.650 63.200 -0.032 0.000 1.122 119 S HN -0.122 nan 8.310 nan 0.000 0.468 120 M N 1.269 120.832 119.600 -0.062 0.000 2.279 120 M HA 0.056 4.552 4.480 0.027 0.000 0.264 120 M C 1.472 177.733 176.300 -0.066 0.000 1.062 120 M CA 1.772 57.024 55.300 -0.080 0.000 1.099 120 M CB -1.114 31.437 32.600 -0.081 0.000 1.394 120 M HN 0.874 nan 8.290 nan 0.000 0.426 121 E N -0.215 119.956 120.200 -0.049 0.000 2.031 121 E HA -0.235 4.131 4.350 0.027 0.000 0.193 121 E C 1.923 178.501 176.600 -0.037 0.000 0.994 121 E CA 1.786 58.162 56.400 -0.039 0.000 0.800 121 E CB -0.394 29.288 29.700 -0.030 0.000 0.752 121 E HN 0.726 nan 8.360 nan 0.000 0.447 122 E N 0.398 120.576 120.200 -0.036 0.000 2.106 122 E HA -0.165 4.201 4.350 0.027 0.000 0.192 122 E C 2.055 178.632 176.600 -0.038 0.000 0.984 122 E CA 0.737 57.118 56.400 -0.032 0.000 0.806 122 E CB -0.173 29.511 29.700 -0.028 0.000 0.750 122 E HN 0.275 nan 8.360 nan 0.000 0.458 123 L N 0.150 121.341 121.223 -0.052 0.000 2.017 123 L HA -0.158 4.198 4.340 0.027 0.000 0.208 123 L C 2.316 179.149 176.870 -0.061 0.000 1.073 123 L CA 1.208 56.010 54.840 -0.064 0.000 0.745 123 L CB -0.218 41.780 42.059 -0.102 0.000 0.894 123 L HN 0.099 nan 8.230 nan 0.000 0.432 124 V N -0.142 119.734 119.914 -0.063 0.000 2.343 124 V HA -0.301 3.835 4.120 0.027 0.000 0.247 124 V C 2.498 178.570 176.094 -0.036 0.000 1.051 124 V CA 2.051 64.319 62.300 -0.054 0.000 1.036 124 V CB -0.501 31.290 31.823 -0.053 0.000 0.654 124 V HN 0.472 nan 8.190 nan 0.000 0.451 125 E N -0.231 119.951 120.200 -0.030 0.000 2.077 125 E HA -0.170 4.196 4.350 0.027 0.000 0.193 125 E C 2.486 179.077 176.600 -0.014 0.000 0.989 125 E CA 1.107 57.495 56.400 -0.020 0.000 0.800 125 E CB -0.155 29.534 29.700 -0.018 0.000 0.746 125 E HN 0.384 nan 8.360 nan 0.000 0.452 126 R N -0.195 120.294 120.500 -0.018 0.000 2.090 126 R HA -0.045 4.310 4.340 0.027 0.000 0.228 126 R C 2.312 178.611 176.300 -0.002 0.000 1.110 126 R CA 1.009 57.103 56.100 -0.010 0.000 0.973 126 R CB -0.549 29.740 30.300 -0.019 0.000 0.869 126 R HN 0.164 nan 8.270 nan 0.000 0.440 127 V N 1.540 121.449 119.914 -0.009 0.000 2.358 127 V HA -0.221 3.915 4.120 0.027 0.000 0.246 127 V C 2.246 178.340 176.094 -0.000 0.000 1.047 127 V CA 1.632 63.931 62.300 -0.001 0.000 1.035 127 V CB -0.416 31.396 31.823 -0.018 0.000 0.658 127 V HN 0.279 nan 8.190 nan 0.000 0.452 128 K N 0.015 120.411 120.400 -0.008 0.000 2.211 128 K HA -0.154 4.182 4.320 0.027 0.000 0.204 128 K C 1.864 178.466 176.600 0.003 0.000 1.047 128 K CA 1.116 57.399 56.287 -0.006 0.000 0.935 128 K CB -0.144 32.350 32.500 -0.010 0.000 0.728 128 K HN 0.404 nan 8.250 nan 0.000 0.452 129 K N 0.555 120.960 120.400 0.008 0.000 2.505 129 K HA 0.028 4.364 4.320 0.027 0.000 0.192 129 K C 0.613 177.231 176.600 0.029 0.000 1.025 129 K CA -0.118 56.179 56.287 0.017 0.000 1.086 129 K CB 0.509 33.019 32.500 0.017 0.000 0.840 129 K HN 0.097 nan 8.250 nan 0.000 0.514 130 G N 0.421 109.240 108.800 0.032 0.000 2.415 130 G HA2 0.059 4.035 3.960 0.027 0.000 0.269 130 G HA3 0.059 4.035 3.960 0.027 0.000 0.269 130 G C 0.492 175.414 174.900 0.037 0.000 1.209 130 G CA -0.450 44.679 45.100 0.049 0.000 0.835 130 G HN 0.022 nan 8.290 nan 0.000 0.534 131 R N 1.838 122.367 120.500 0.047 0.000 2.055 131 R HA 0.082 4.438 4.340 0.027 0.000 0.226 131 R C 2.081 178.389 176.300 0.013 0.000 1.135 131 R CA 0.506 56.622 56.100 0.028 0.000 0.959 131 R CB -1.054 29.265 30.300 0.031 0.000 0.854 131 R HN 0.648 nan 8.270 nan 0.000 0.431 132 G N 1.068 109.883 108.800 0.026 0.000 2.583 132 G HA2 -0.158 3.818 3.960 0.027 0.000 0.230 132 G HA3 -0.158 3.818 3.960 0.027 0.000 0.230 132 G C 0.610 175.502 174.900 -0.013 0.000 1.249 132 G CA 0.290 45.397 45.100 0.012 0.000 0.857 132 G HN 0.488 nan 8.290 nan 0.000 0.569 133 R N 0.670 121.159 120.500 -0.019 0.000 2.120 133 R HA -0.018 4.338 4.340 0.027 0.000 0.234 133 R C 0.486 176.759 176.300 -0.045 0.000 1.123 133 R CA 0.836 56.923 56.100 -0.023 0.000 0.975 133 R CB -0.264 30.028 30.300 -0.014 0.000 0.866 133 R HN 0.415 nan 8.270 nan 0.000 0.446 134 I N 1.429 121.959 120.570 -0.066 0.000 2.474 134 I HA 0.301 4.487 4.170 0.027 0.000 0.294 134 I C -0.395 175.553 176.117 -0.281 0.000 1.005 134 I CA -1.056 60.114 61.300 -0.217 0.000 1.113 134 I CB 2.357 40.161 38.000 -0.326 0.000 1.289 134 I HN -0.035 nan 8.210 nan 0.000 0.436 135 I N 5.997 126.387 120.570 -0.299 0.000 2.297 135 I HA 0.300 4.486 4.170 0.027 0.000 0.291 135 I C -0.799 175.171 176.117 -0.245 0.000 1.033 135 I CA -0.196 61.006 61.300 -0.163 0.000 1.253 135 I CB 0.282 38.251 38.000 -0.051 0.000 1.396 135 I HN 0.291 nan 8.210 nan 0.000 0.476 136 F N 4.113 124.180 119.950 0.195 0.000 2.422 136 F HA 0.780 5.322 4.527 0.026 0.000 0.333 136 F C 0.879 176.858 175.800 0.298 0.000 1.095 136 F CA -0.452 57.714 58.000 0.278 0.000 1.038 136 F CB 1.824 40.986 39.000 0.269 0.000 1.156 136 F HN 0.430 nan 8.300 nan 0.000 0.483 137 G N 1.512 110.641 108.800 0.549 0.000 2.682 137 G HA2 0.721 4.697 3.960 0.027 0.000 0.290 137 G HA3 0.721 4.697 3.960 0.027 0.000 0.290 137 G C -2.042 173.207 174.900 0.581 0.000 1.425 137 G CA -0.799 44.577 45.100 0.461 0.000 0.807 137 G HN 0.635 nan 8.290 nan 0.000 0.482 138 F N -2.859 117.233 119.950 0.236 0.000 2.713 138 F HA 0.681 5.218 4.527 0.017 0.000 0.311 138 F C 0.709 176.477 175.800 -0.052 0.000 1.141 138 F CA -0.295 57.746 58.000 0.068 0.000 0.939 138 F CB 1.605 40.630 39.000 0.041 0.000 1.325 138 F HN 1.826 nan 8.300 nan 0.000 0.453 139 G N -0.108 108.536 108.800 -0.260 0.000 2.157 139 G HA2 -0.250 3.726 3.960 0.027 0.000 0.239 139 G HA3 -0.250 3.726 3.960 0.027 0.000 0.239 139 G C -0.068 174.695 174.900 -0.228 0.000 0.982 139 G CA -0.121 44.806 45.100 -0.288 0.000 0.650 139 G HN 1.322 nan 8.290 nan 0.000 0.527 140 W N 0.516 121.707 121.300 -0.182 0.000 2.093 140 W HA 0.715 5.393 4.660 0.029 0.000 0.352 140 W C -0.490 175.927 176.519 -0.169 0.000 1.294 140 W CA 0.219 57.467 57.345 -0.162 0.000 1.290 140 W CB 0.721 30.097 29.460 -0.141 0.000 1.149 140 W HN 0.116 nan 8.180 nan 0.000 0.606 141 D N 1.567 122.102 120.400 0.225 0.000 2.970 141 D HA -0.039 4.617 4.640 0.027 0.000 0.230 141 D C 1.216 177.553 176.300 0.061 0.000 1.276 141 D CA -0.375 53.642 54.000 0.027 0.000 0.910 141 D CB 1.822 42.577 40.800 -0.076 0.000 1.590 141 D HN 0.425 nan 8.370 nan 0.000 0.551 142 Q N 2.468 122.213 119.800 -0.091 0.000 2.291 142 Q HA -0.128 4.228 4.340 0.027 0.000 0.205 142 Q C 0.048 175.924 176.000 -0.207 0.000 0.970 142 Q CA 1.205 56.836 55.803 -0.287 0.000 0.876 142 Q CB 0.192 28.390 28.738 -0.900 0.000 0.935 142 Q HN 0.422 nan 8.270 nan 0.000 0.455 143 D N 1.794 122.098 120.400 -0.161 0.000 2.123 143 D HA -0.106 4.550 4.640 0.027 0.000 0.200 143 D C 1.647 177.910 176.300 -0.062 0.000 0.976 143 D CA 1.177 55.121 54.000 -0.095 0.000 0.831 143 D CB -0.012 40.742 40.800 -0.076 0.000 0.974 143 D HN 0.526 nan 8.370 nan 0.000 0.469 144 E N 0.249 120.417 120.200 -0.053 0.000 2.150 144 E HA -0.041 4.325 4.350 0.027 0.000 0.193 144 E C 2.251 178.831 176.600 -0.035 0.000 0.985 144 E CA 0.311 56.691 56.400 -0.035 0.000 0.814 144 E CB 0.047 29.732 29.700 -0.025 0.000 0.752 144 E HN 0.232 nan 8.360 nan 0.000 0.466 145 L N -0.837 120.360 121.223 -0.043 0.000 2.179 145 L HA 0.029 4.385 4.340 0.027 0.000 0.208 145 L C 1.853 178.692 176.870 -0.052 0.000 1.096 145 L CA 0.915 55.723 54.840 -0.053 0.000 0.779 145 L CB -0.041 41.971 42.059 -0.079 0.000 0.922 145 L HN 0.400 nan 8.230 nan 0.000 0.443 146 G N 0.209 108.977 108.800 -0.053 0.000 2.254 146 G HA2 -0.237 3.739 3.960 0.027 0.000 0.225 146 G HA3 -0.237 3.739 3.960 0.027 0.000 0.225 146 G C 0.404 175.289 174.900 -0.026 0.000 1.003 146 G CA 0.201 45.280 45.100 -0.035 0.000 0.622 146 G HN 0.472 nan 8.290 nan 0.000 0.507 147 R N -1.997 118.478 120.500 -0.041 0.000 2.756 147 R HA 0.543 4.899 4.340 0.027 0.000 0.273 147 R C -1.242 175.040 176.300 -0.030 0.000 1.030 147 R CA -1.219 54.886 56.100 0.008 0.000 0.887 147 R CB 0.276 30.605 30.300 0.049 0.000 1.274 147 R HN 0.143 nan 8.270 nan 0.000 0.461 148 W N 2.101 123.374 121.300 -0.045 0.000 2.238 148 W HA 0.334 5.013 4.660 0.031 0.000 0.321 148 W C -1.839 174.550 176.519 -0.216 0.000 1.293 148 W CA -1.199 56.090 57.345 -0.094 0.000 1.204 148 W CB 0.528 29.964 29.460 -0.040 0.000 1.167 148 W HN 0.374 nan 8.180 nan 0.000 0.553 149 P HA 0.200 nan 4.420 nan 0.000 0.275 149 P C -0.333 176.864 177.300 -0.172 0.000 1.228 149 P CA -0.072 62.840 63.100 -0.314 0.000 0.786 149 P CB 1.303 32.570 31.700 -0.721 0.000 0.927 150 T N -1.818 112.657 114.554 -0.132 0.000 2.887 150 T HA 0.360 4.726 4.350 0.027 0.000 0.292 150 T C 1.190 175.839 174.700 -0.085 0.000 1.087 150 T CA -0.985 61.064 62.100 -0.085 0.000 1.009 150 T CB 1.729 70.563 68.868 -0.056 0.000 1.203 150 T HN 0.375 nan 8.240 nan 0.000 0.518 151 R N 0.504 120.971 120.500 -0.056 0.000 2.140 151 R HA -0.247 4.109 4.340 0.027 0.000 0.250 151 R C 2.027 178.303 176.300 -0.041 0.000 1.150 151 R CA 2.552 58.630 56.100 -0.036 0.000 0.966 151 R CB -0.482 29.809 30.300 -0.016 0.000 0.869 151 R HN 0.920 nan 8.270 nan 0.000 0.445 152 E N 0.083 120.257 120.200 -0.044 0.000 2.106 152 E HA -0.189 4.177 4.350 0.027 0.000 0.192 152 E C 1.356 177.929 176.600 -0.046 0.000 0.984 152 E CA 1.698 58.074 56.400 -0.040 0.000 0.806 152 E CB -0.046 29.631 29.700 -0.039 0.000 0.750 152 E HN 0.396 nan 8.360 nan 0.000 0.458 153 D N 0.499 120.863 120.400 -0.060 0.000 2.144 153 D HA -0.147 4.509 4.640 0.027 0.000 0.199 153 D C 1.911 178.169 176.300 -0.069 0.000 0.984 153 D CA 1.048 55.007 54.000 -0.069 0.000 0.834 153 D CB 0.022 40.766 40.800 -0.094 0.000 0.955 153 D HN 0.349 nan 8.370 nan 0.000 0.465 154 L N 0.520 121.699 121.223 -0.073 0.000 2.567 154 L HA 0.036 4.392 4.340 0.027 0.000 0.225 154 L C 1.358 178.201 176.870 -0.045 0.000 1.119 154 L CA 0.135 54.935 54.840 -0.067 0.000 0.871 154 L CB 0.090 42.102 42.059 -0.079 0.000 1.036 154 L HN -0.255 nan 8.230 nan 0.000 0.459 155 D N 0.237 120.614 120.400 -0.037 0.000 2.371 155 D HA -0.101 4.555 4.640 0.027 0.000 0.221 155 D C 2.237 178.522 176.300 -0.025 0.000 0.986 155 D CA 0.903 54.888 54.000 -0.026 0.000 0.899 155 D CB 0.240 41.027 40.800 -0.022 0.000 0.902 155 D HN 0.287 nan 8.370 nan 0.000 0.530 156 V N -1.302 118.594 119.914 -0.029 0.000 2.809 156 V HA 0.003 4.138 4.120 0.027 0.000 0.256 156 V C 1.031 177.111 176.094 -0.024 0.000 1.080 156 V CA 0.438 62.722 62.300 -0.026 0.000 1.102 156 V CB -0.577 31.229 31.823 -0.028 0.000 0.705 156 V HN -0.054 nan 8.190 nan 0.000 0.475 157 I N 3.131 123.685 120.570 -0.027 0.000 2.371 157 I HA 0.231 4.417 4.170 0.027 0.000 0.290 157 I C 0.777 176.881 176.117 -0.022 0.000 1.028 157 I CA -0.167 61.118 61.300 -0.025 0.000 1.345 157 I CB 1.202 39.184 38.000 -0.030 0.000 1.407 157 I HN 0.260 nan 8.210 nan 0.000 0.501 158 D N 5.729 126.118 120.400 -0.018 0.000 2.325 158 D HA 0.039 4.695 4.640 0.027 0.000 0.234 158 D C 0.382 176.672 176.300 -0.017 0.000 1.122 158 D CA -0.049 53.942 54.000 -0.015 0.000 0.850 158 D CB 0.126 40.919 40.800 -0.011 0.000 0.921 158 D HN 0.367 nan 8.370 nan 0.000 0.513 159 R N -0.072 120.414 120.500 -0.023 0.000 2.854 159 R HA 0.551 4.907 4.340 0.027 0.000 0.271 159 R C -2.705 173.570 176.300 -0.042 0.000 0.996 159 R CA -2.143 53.939 56.100 -0.031 0.000 0.961 159 R CB 1.458 31.737 30.300 -0.035 0.000 1.182 159 R HN -0.086 nan 8.270 nan 0.000 0.479 160 P HA 0.050 nan 4.420 nan 0.000 0.268 160 P C -1.081 176.154 177.300 -0.110 0.000 1.205 160 P CA -0.029 63.032 63.100 -0.064 0.000 0.771 160 P CB 0.663 32.320 31.700 -0.071 0.000 0.858 161 V N 4.428 124.301 119.914 -0.068 0.000 2.709 161 V HA 0.552 4.688 4.120 0.027 0.000 0.308 161 V C -0.998 175.117 176.094 0.033 0.000 1.062 161 V CA -0.413 61.850 62.300 -0.061 0.000 0.901 161 V CB 1.722 33.519 31.823 -0.042 0.000 1.003 161 V HN 0.413 nan 8.190 nan 0.000 0.425 162 F N 6.116 125.990 119.950 -0.128 0.000 2.671 162 F HA 0.702 5.244 4.527 0.025 0.000 0.332 162 F C -1.435 174.416 175.800 0.086 0.000 1.189 162 F CA -0.467 57.523 58.000 -0.016 0.000 0.988 162 F CB 1.222 40.244 39.000 0.037 0.000 1.258 162 F HN 0.308 nan 8.300 nan 0.000 0.471 163 L N 7.253 128.364 121.223 -0.186 0.000 2.342 163 L HA 0.405 4.761 4.340 0.027 0.000 0.276 163 L C -0.943 176.012 176.870 0.142 0.000 0.997 163 L CA -0.945 53.969 54.840 0.123 0.000 0.838 163 L CB 1.161 43.343 42.059 0.205 0.000 1.224 163 L HN 0.514 nan 8.230 nan 0.000 0.416 164 Y N 2.146 122.536 120.300 0.150 0.000 2.480 164 Y HA 0.137 4.704 4.550 0.029 0.000 0.338 164 Y C 1.038 176.575 175.900 -0.605 0.000 1.220 164 Y CA 0.173 58.202 58.100 -0.117 0.000 1.430 164 Y CB 0.434 38.790 38.460 -0.173 0.000 1.311 164 Y HN 0.530 nan 8.280 nan 0.000 0.575 165 R N 1.640 121.661 120.500 -0.798 0.000 2.726 165 R HA 0.119 4.475 4.340 0.027 0.000 0.272 165 R C 1.436 177.185 176.300 -0.917 0.000 1.097 165 R CA -0.319 54.892 56.100 -1.481 0.000 1.198 165 R CB 0.503 30.061 30.300 -1.235 0.000 1.114 165 R HN 0.822 nan 8.270 nan 0.000 0.550 166 R N 0.054 120.102 120.500 -0.755 0.000 2.112 166 R HA -0.251 4.105 4.340 0.027 0.000 0.242 166 R C 2.190 178.234 176.300 -0.427 0.000 1.137 166 R CA 2.500 58.318 56.100 -0.470 0.000 0.944 166 R CB -0.640 29.495 30.300 -0.274 0.000 0.857 166 R HN 0.834 nan 8.270 nan 0.000 0.435 167 C N -1.675 117.423 119.300 -0.336 0.000 2.437 167 C HA 0.113 4.589 4.460 0.027 0.000 0.283 167 C C 1.022 175.820 174.990 -0.319 0.000 1.424 167 C CA -0.457 58.410 59.018 -0.252 0.000 1.782 167 C CB -1.241 26.427 27.740 -0.120 0.000 1.833 167 C HN 0.632 nan 8.230 nan 0.000 0.532 168 F N -1.038 118.731 119.950 -0.301 0.000 2.973 168 F HA -0.216 4.323 4.527 0.019 0.000 0.299 168 F C 1.361 177.086 175.800 -0.125 0.000 0.737 168 F CA 1.504 59.385 58.000 -0.199 0.000 1.151 168 F CB -2.413 36.380 39.000 -0.346 0.000 1.440 168 F HN 0.459 nan 8.300 nan 0.000 0.367 169 H N -1.312 117.848 119.070 0.150 0.000 2.553 169 H HA 0.559 5.131 4.556 0.028 0.000 0.265 169 H C 0.623 176.023 175.328 0.121 0.000 0.964 169 H CA 0.937 57.056 56.048 0.119 0.000 1.156 169 H CB 0.347 30.144 29.762 0.059 0.000 1.411 169 H HN 0.121 nan 8.280 nan 0.000 0.558 170 V N 0.147 120.168 119.914 0.177 0.000 2.971 170 V HA 0.744 4.880 4.120 0.027 0.000 0.309 170 V C -0.482 175.663 176.094 0.085 0.000 1.130 170 V CA -1.026 61.368 62.300 0.155 0.000 0.964 170 V CB 2.210 34.155 31.823 0.203 0.000 1.029 170 V HN 0.318 nan 8.190 nan 0.000 0.427 171 A N 2.209 125.067 122.820 0.063 0.000 2.539 171 A HA 0.920 5.256 4.320 0.027 0.000 0.296 171 A C -1.459 176.130 177.584 0.009 0.000 1.073 171 A CA -0.670 51.294 52.037 -0.121 0.000 0.700 171 A CB 2.180 20.720 19.000 -0.768 0.000 1.296 171 A HN 1.043 nan 8.150 nan 0.000 0.405 172 V N 3.277 123.217 119.914 0.043 0.000 2.581 172 V HA 0.869 5.004 4.120 0.027 0.000 0.303 172 V C -0.353 175.630 176.094 -0.186 0.000 1.041 172 V CA -0.547 61.735 62.300 -0.031 0.000 0.907 172 V CB 1.577 33.355 31.823 -0.076 0.000 0.994 172 V HN 1.122 nan 8.190 nan 0.000 0.442 173 M N 4.427 123.970 119.600 -0.094 0.000 2.631 173 M HA 0.686 5.182 4.480 0.027 0.000 0.288 173 M C -1.059 175.241 176.300 0.000 0.000 1.260 173 M CA -0.852 54.423 55.300 -0.041 0.000 0.842 173 M CB 2.167 34.799 32.600 0.053 0.000 1.743 173 M HN 0.634 nan 8.290 nan 0.000 0.461 174 N N 0.743 119.447 118.700 0.007 0.000 2.476 174 N HA 0.375 5.131 4.740 0.027 0.000 0.287 174 N C 0.045 175.576 175.510 0.035 0.000 1.262 174 N CA -0.458 52.595 53.050 0.006 0.000 0.980 174 N CB 0.289 38.767 38.487 -0.014 0.000 1.163 174 N HN 0.754 nan 8.380 nan 0.000 0.592 175 S N -0.399 115.316 115.700 0.026 0.000 2.368 175 S HA -0.085 4.401 4.470 0.027 0.000 0.225 175 S C 1.486 176.110 174.600 0.040 0.000 1.030 175 S CA 0.927 59.150 58.200 0.038 0.000 0.999 175 S CB -0.303 62.909 63.200 0.021 0.000 0.844 175 S HN 0.533 nan 8.310 nan 0.000 0.459 176 K N 0.422 120.837 120.400 0.024 0.000 2.032 176 K HA -0.106 4.230 4.320 0.027 0.000 0.209 176 K C 2.219 178.838 176.600 0.030 0.000 1.048 176 K CA 1.506 57.805 56.287 0.020 0.000 0.927 176 K CB -0.250 32.252 32.500 0.004 0.000 0.712 176 K HN 0.223 nan 8.250 nan 0.000 0.441 177 M N 1.054 120.677 119.600 0.039 0.000 2.132 177 M HA -0.090 4.406 4.480 0.027 0.000 0.263 177 M C 1.777 178.125 176.300 0.080 0.000 1.065 177 M CA 1.415 56.753 55.300 0.063 0.000 1.122 177 M CB -0.122 32.538 32.600 0.100 0.000 1.365 177 M HN 0.077 nan 8.290 nan 0.000 0.411 178 I N 0.144 120.771 120.570 0.095 0.000 2.208 178 I HA -0.344 3.842 4.170 0.027 0.000 0.245 178 I C 1.661 177.830 176.117 0.087 0.000 1.097 178 I CA 1.427 62.799 61.300 0.119 0.000 1.363 178 I CB -0.684 37.430 38.000 0.191 0.000 1.051 178 I HN 0.269 nan 8.210 nan 0.000 0.413 179 D N 0.543 120.985 120.400 0.070 0.000 2.144 179 D HA -0.118 4.537 4.640 0.027 0.000 0.199 179 D C 2.306 178.630 176.300 0.041 0.000 0.984 179 D CA 1.164 55.196 54.000 0.053 0.000 0.834 179 D CB -0.183 40.642 40.800 0.040 0.000 0.955 179 D HN 0.317 nan 8.370 nan 0.000 0.465 180 L N 0.000 121.246 121.223 0.037 0.000 2.156 180 L HA -0.049 4.307 4.340 0.027 0.000 0.208 180 L C 2.392 179.277 176.870 0.024 0.000 1.095 180 L CA 0.459 55.317 54.840 0.030 0.000 0.770 180 L CB -0.152 41.925 42.059 0.031 0.000 0.914 180 L HN 0.047 nan 8.230 nan 0.000 0.439 181 L N -1.036 120.199 121.223 0.019 0.000 2.095 181 L HA -0.070 4.285 4.340 0.027 0.000 0.204 181 L C 0.793 177.656 176.870 -0.011 0.000 1.080 181 L CA 0.434 55.269 54.840 -0.008 0.000 0.759 181 L CB -0.336 41.697 42.059 -0.044 0.000 0.914 181 L HN 0.391 nan 8.230 nan 0.000 0.439 182 N N 1.218 119.923 118.700 0.009 0.000 2.725 182 N HA -0.180 4.576 4.740 0.027 0.000 0.251 182 N C -0.314 175.203 175.510 0.012 0.000 1.031 182 N CA 0.040 53.106 53.050 0.027 0.000 0.720 182 N CB -0.938 37.566 38.487 0.028 0.000 0.930 182 N HN 0.214 nan 8.380 nan 0.000 0.543 183 L N 0.858 122.059 121.223 -0.038 0.000 2.461 183 L HA 0.101 4.457 4.340 0.027 0.000 0.272 183 L C 1.100 178.010 176.870 0.067 0.000 1.197 183 L CA 0.391 55.188 54.840 -0.071 0.000 0.836 183 L CB 0.366 42.209 42.059 -0.361 0.000 1.105 183 L HN -0.037 nan 8.230 nan 0.000 0.477 184 K N 2.772 123.211 120.400 0.065 0.000 2.237 184 K HA 0.269 4.605 4.320 0.027 0.000 0.270 184 K C -2.207 174.494 176.600 0.168 0.000 1.015 184 K CA -1.653 54.693 56.287 0.098 0.000 0.949 184 K CB 0.050 32.586 32.500 0.059 0.000 0.976 184 K HN 0.298 nan 8.250 nan 0.000 0.472 185 P HA -0.053 nan 4.420 nan 0.000 0.265 185 P C -0.785 176.587 177.300 0.121 0.000 1.193 185 P CA 0.184 63.373 63.100 0.147 0.000 0.765 185 P CB 0.707 32.446 31.700 0.066 0.000 0.823 186 S N 1.195 116.978 115.700 0.138 0.000 2.615 186 S HA 0.411 4.897 4.470 0.027 0.000 0.269 186 S C 0.420 175.065 174.600 0.074 0.000 1.161 186 S CA -0.853 57.403 58.200 0.094 0.000 0.817 186 S CB 1.282 64.541 63.200 0.098 0.000 1.131 186 S HN 0.239 nan 8.310 nan 0.000 0.467 187 K N 0.059 120.486 120.400 0.045 0.000 2.515 187 K HA 0.167 4.503 4.320 0.027 0.000 0.196 187 K C 0.274 176.899 176.600 0.042 0.000 1.038 187 K CA 1.220 57.522 56.287 0.025 0.000 0.967 187 K CB -0.347 32.159 32.500 0.010 0.000 0.780 187 K HN 0.478 nan 8.250 nan 0.000 0.483 188 D N -0.355 120.095 120.400 0.083 0.000 2.349 188 D HA 0.048 4.704 4.640 0.027 0.000 0.214 188 D C -0.867 175.551 176.300 0.197 0.000 1.063 188 D CA 0.212 54.275 54.000 0.105 0.000 0.847 188 D CB 0.155 41.010 40.800 0.092 0.000 0.933 188 D HN 0.181 nan 8.370 nan 0.000 0.513 189 F N 1.922 121.873 119.950 0.001 0.000 2.499 189 F HA 0.293 4.836 4.527 0.026 0.000 0.333 189 F C -1.223 174.566 175.800 -0.017 0.000 1.138 189 F CA -1.551 56.451 58.000 0.002 0.000 0.945 189 F CB 1.352 40.362 39.000 0.017 0.000 1.181 189 F HN -0.367 nan 8.300 nan 0.000 0.435 190 D N 6.444 126.740 120.400 -0.174 0.000 2.467 190 D HA 0.160 4.816 4.640 0.027 0.000 0.220 190 D C 0.974 176.885 176.300 -0.649 0.000 1.103 190 D CA -0.051 53.728 54.000 -0.368 0.000 0.886 190 D CB 1.071 41.754 40.800 -0.195 0.000 1.025 190 D HN 0.638 nan 8.370 nan 0.000 0.514 191 E N 0.650 120.254 120.200 -0.993 0.000 2.110 191 E HA -0.176 4.190 4.350 0.027 0.000 0.193 191 E C 1.650 178.052 176.600 -0.329 0.000 0.988 191 E CA 0.902 56.778 56.400 -0.874 0.000 0.804 191 E CB -0.074 29.226 29.700 -0.666 0.000 0.745 191 E HN 0.356 nan 8.360 nan 0.000 0.458 192 S N 1.392 116.938 115.700 -0.257 0.000 2.382 192 S HA -0.138 4.348 4.470 0.027 0.000 0.228 192 S C 2.227 176.758 174.600 -0.115 0.000 1.027 192 S CA 1.714 59.824 58.200 -0.150 0.000 0.991 192 S CB -0.700 62.420 63.200 -0.133 0.000 0.823 192 S HN 0.420 nan 8.310 nan 0.000 0.469 193 T N -3.298 111.180 114.554 -0.127 0.000 3.040 193 T HA 0.517 4.882 4.350 0.027 0.000 0.250 193 T C 1.488 176.167 174.700 -0.035 0.000 1.058 193 T CA 0.470 62.518 62.100 -0.086 0.000 0.988 193 T CB -0.089 68.711 68.868 -0.113 0.000 0.993 193 T HN 1.227 nan 8.240 nan 0.000 0.519 194 G N 1.596 110.398 108.800 0.004 0.000 2.176 194 G HA2 -0.209 3.767 3.960 0.027 0.000 0.252 194 G HA3 -0.209 3.767 3.960 0.027 0.000 0.252 194 G C -0.088 174.913 174.900 0.168 0.000 1.024 194 G CA 0.131 45.318 45.100 0.144 0.000 0.755 194 G HN 0.662 nan 8.290 nan 0.000 0.507 195 I N 0.509 121.166 120.570 0.145 0.000 2.359 195 I HA 0.543 4.729 4.170 0.027 0.000 0.294 195 I C 0.673 176.935 176.117 0.241 0.000 0.987 195 I CA -1.161 60.226 61.300 0.144 0.000 1.225 195 I CB 1.778 39.806 38.000 0.047 0.000 1.366 195 I HN 0.153 nan 8.210 nan 0.000 0.466 196 V N 3.658 123.686 119.914 0.190 0.000 2.769 196 V HA 0.712 4.848 4.120 0.027 0.000 0.312 196 V C -0.465 175.718 176.094 0.149 0.000 1.061 196 V CA -0.807 61.603 62.300 0.183 0.000 0.931 196 V CB 1.928 33.816 31.823 0.108 0.000 1.010 196 V HN 0.731 nan 8.190 nan 0.000 0.433 197 R N 1.205 121.788 120.500 0.138 0.000 2.867 197 R HA 0.613 4.969 4.340 0.027 0.000 0.268 197 R C 0.048 176.413 176.300 0.108 0.000 1.014 197 R CA -0.535 55.640 56.100 0.125 0.000 0.946 197 R CB 2.019 32.378 30.300 0.097 0.000 1.208 197 R HN 1.004 nan 8.270 nan 0.000 0.477 198 E N 0.212 120.473 120.200 0.102 0.000 3.422 198 E HA -0.406 3.960 4.350 0.027 0.000 0.426 198 E C 1.229 177.868 176.600 0.065 0.000 1.588 198 E CA 1.538 57.977 56.400 0.065 0.000 1.437 198 E CB -0.586 29.132 29.700 0.030 0.000 1.496 198 E HN 0.398 nan 8.360 nan 0.000 0.445 199 R N 0.232 120.758 120.500 0.044 0.000 2.081 199 R HA -0.006 4.350 4.340 0.027 0.000 0.235 199 R C 2.149 178.474 176.300 0.043 0.000 1.131 199 R CA 2.079 58.200 56.100 0.035 0.000 0.960 199 R CB -0.929 29.386 30.300 0.024 0.000 0.856 199 R HN 0.506 nan 8.270 nan 0.000 0.436 200 A N 0.161 123.012 122.820 0.052 0.000 2.014 200 A HA -0.047 4.289 4.320 0.027 0.000 0.218 200 A C 2.012 179.619 177.584 0.037 0.000 1.163 200 A CA 0.876 52.930 52.037 0.029 0.000 0.652 200 A CB -0.416 18.609 19.000 0.042 0.000 0.808 200 A HN 0.247 nan 8.150 nan 0.000 0.449 201 L N 0.172 121.451 121.223 0.094 0.000 2.027 201 L HA -0.106 4.250 4.340 0.027 0.000 0.206 201 L C 2.064 179.030 176.870 0.160 0.000 1.074 201 L CA 2.415 57.353 54.840 0.163 0.000 0.745 201 L CB -0.748 41.434 42.059 0.205 0.000 0.898 201 L HN 0.494 nan 8.230 nan 0.000 0.433 202 E N -0.511 119.758 120.200 0.114 0.000 2.070 202 E HA -0.326 4.039 4.350 0.027 0.000 0.197 202 E C 2.047 178.671 176.600 0.040 0.000 1.004 202 E CA 1.590 58.034 56.400 0.073 0.000 0.805 202 E CB -0.129 29.593 29.700 0.037 0.000 0.744 202 E HN 0.617 nan 8.360 nan 0.000 0.451 203 E N 0.595 120.810 120.200 0.026 0.000 2.077 203 E HA -0.152 4.214 4.350 0.027 0.000 0.193 203 E C 1.976 178.573 176.600 -0.006 0.000 0.989 203 E CA 1.623 58.025 56.400 0.002 0.000 0.800 203 E CB -0.095 29.600 29.700 -0.008 0.000 0.746 203 E HN -0.005 nan 8.360 nan 0.000 0.452 204 S N 0.228 115.932 115.700 0.007 0.000 2.359 204 S HA -0.181 4.305 4.470 0.027 0.000 0.224 204 S C 1.921 176.484 174.600 -0.062 0.000 1.035 204 S CA 1.398 59.596 58.200 -0.002 0.000 1.018 204 S CB -0.315 62.965 63.200 0.133 0.000 0.876 204 S HN 0.296 nan 8.310 nan 0.000 0.448 205 R N 1.017 121.509 120.500 -0.015 0.000 2.083 205 R HA -0.100 4.256 4.340 0.027 0.000 0.237 205 R C 2.527 178.805 176.300 -0.038 0.000 1.137 205 R CA 1.449 57.525 56.100 -0.041 0.000 0.951 205 R CB -0.302 30.032 30.300 0.056 0.000 0.851 205 R HN 0.356 nan 8.270 nan 0.000 0.434 206 K N 0.992 121.385 120.400 -0.012 0.000 2.032 206 K HA -0.156 4.180 4.320 0.027 0.000 0.209 206 K C 2.040 178.640 176.600 0.000 0.000 1.048 206 K CA 1.475 57.759 56.287 -0.004 0.000 0.927 206 K CB -0.100 32.397 32.500 -0.005 0.000 0.712 206 K HN 0.110 nan 8.250 nan 0.000 0.441 207 I N 0.935 121.499 120.570 -0.011 0.000 2.252 207 I HA -0.274 3.912 4.170 0.027 0.000 0.245 207 I C 2.286 178.406 176.117 0.006 0.000 1.102 207 I CA 0.997 62.295 61.300 -0.003 0.000 1.385 207 I CB -0.176 37.816 38.000 -0.013 0.000 1.064 207 I HN 0.174 nan 8.210 nan 0.000 0.414 208 I N 0.973 121.526 120.570 -0.028 0.000 2.127 208 I HA -0.338 3.848 4.170 0.027 0.000 0.241 208 I C 2.197 178.339 176.117 0.042 0.000 1.075 208 I CA 1.509 62.800 61.300 -0.014 0.000 1.334 208 I CB -0.490 37.432 38.000 -0.131 0.000 1.040 208 I HN 0.316 nan 8.210 nan 0.000 0.405 209 N N 0.431 119.153 118.700 0.037 0.000 2.188 209 N HA -0.142 4.613 4.740 0.027 0.000 0.184 209 N C 1.687 177.311 175.510 0.189 0.000 1.018 209 N CA 1.268 54.402 53.050 0.140 0.000 0.858 209 N CB -0.143 38.413 38.487 0.116 0.000 0.989 209 N HN 0.502 nan 8.380 nan 0.000 0.426 210 E N -0.008 120.251 120.200 0.099 0.000 2.201 210 E HA 0.052 4.418 4.350 0.027 0.000 0.193 210 E C 1.688 178.327 176.600 0.066 0.000 0.957 210 E CA 0.429 56.870 56.400 0.068 0.000 0.858 210 E CB 0.413 30.135 29.700 0.036 0.000 0.816 210 E HN 0.208 nan 8.360 nan 0.000 0.475 211 K N 0.609 121.047 120.400 0.064 0.000 2.190 211 K HA 0.099 4.435 4.320 0.027 0.000 0.202 211 K C 1.964 178.608 176.600 0.075 0.000 1.045 211 K CA 0.289 56.610 56.287 0.056 0.000 0.976 211 K CB 0.347 32.870 32.500 0.038 0.000 0.849 211 K HN -0.037 nan 8.250 nan 0.000 0.468 212 I N 1.633 122.256 120.570 0.088 0.000 2.296 212 I HA -0.058 4.128 4.170 0.027 0.000 0.242 212 I C 0.693 176.891 176.117 0.134 0.000 1.087 212 I CA 0.178 61.537 61.300 0.099 0.000 1.393 212 I CB 0.049 38.108 38.000 0.097 0.000 1.093 212 I HN 0.013 nan 8.210 nan 0.000 0.421 213 L N 1.722 123.052 121.223 0.179 0.000 2.485 213 L HA 0.065 4.421 4.340 0.027 0.000 0.275 213 L C 0.660 177.677 176.870 0.244 0.000 1.207 213 L CA -0.007 54.963 54.840 0.217 0.000 0.855 213 L CB 0.072 42.272 42.059 0.234 0.000 1.114 213 L HN 0.330 nan 8.230 nan 0.000 0.485 214 T N -1.249 113.428 114.554 0.204 0.000 2.937 214 T HA 0.333 4.699 4.350 0.027 0.000 0.283 214 T C 1.149 175.997 174.700 0.246 0.000 1.012 214 T CA -0.932 61.270 62.100 0.172 0.000 0.997 214 T CB 1.591 70.516 68.868 0.094 0.000 1.136 214 T HN 0.198 nan 8.240 nan 0.000 0.551 215 V N 1.209 121.216 119.914 0.155 0.000 2.287 215 V HA -0.162 3.974 4.120 0.027 0.000 0.248 215 V C 2.870 179.054 176.094 0.151 0.000 1.053 215 V CA 1.973 64.359 62.300 0.143 0.000 1.027 215 V CB -0.882 30.985 31.823 0.074 0.000 0.646 215 V HN 0.892 nan 8.190 nan 0.000 0.447 216 K N -0.328 120.128 120.400 0.092 0.000 2.063 216 K HA -0.218 4.118 4.320 0.027 0.000 0.208 216 K C 1.941 178.546 176.600 0.008 0.000 1.048 216 K CA 1.838 58.157 56.287 0.054 0.000 0.928 216 K CB -0.333 32.184 32.500 0.028 0.000 0.713 216 K HN 0.499 nan 8.250 nan 0.000 0.442 217 D N -0.115 120.262 120.400 -0.038 0.000 2.123 217 D HA -0.182 4.474 4.640 0.027 0.000 0.196 217 D C 1.864 177.919 176.300 -0.409 0.000 0.992 217 D CA 1.412 55.235 54.000 -0.294 0.000 0.833 217 D CB -0.341 40.322 40.800 -0.230 0.000 0.954 217 D HN 0.248 nan 8.370 nan 0.000 0.455 218 Y N 1.256 121.513 120.300 -0.072 0.000 2.242 218 Y HA -0.102 4.465 4.550 0.027 0.000 0.291 218 Y C 2.417 178.362 175.900 0.075 0.000 1.137 218 Y CA 1.022 59.175 58.100 0.089 0.000 1.181 218 Y CB -0.021 38.524 38.460 0.141 0.000 0.989 218 Y HN -0.085 nan 8.280 nan 0.000 0.527 219 K N -0.971 119.537 120.400 0.179 0.000 2.057 219 K HA -0.247 4.089 4.320 0.027 0.000 0.207 219 K C 2.085 178.725 176.600 0.067 0.000 1.049 219 K CA 1.523 57.880 56.287 0.116 0.000 0.931 219 K CB -0.397 32.156 32.500 0.088 0.000 0.714 219 K HN 0.395 nan 8.250 nan 0.000 0.440 220 H N -0.063 118.958 119.070 -0.081 0.000 2.321 220 H HA -0.146 4.426 4.556 0.026 0.000 0.300 220 H C 1.871 177.175 175.328 -0.039 0.000 1.087 220 H CA 1.803 57.784 56.048 -0.111 0.000 1.319 220 H CB 0.046 29.676 29.762 -0.219 0.000 1.379 220 H HN 0.175 nan 8.280 nan 0.000 0.501 221 Y N 0.717 121.092 120.300 0.125 0.000 2.128 221 Y HA -0.187 4.380 4.550 0.028 0.000 0.284 221 Y C 3.013 178.898 175.900 -0.024 0.000 1.154 221 Y CA 1.012 59.127 58.100 0.025 0.000 1.149 221 Y CB -0.900 37.522 38.460 -0.063 0.000 0.976 221 Y HN 0.173 nan 8.280 nan 0.000 0.505 222 I N -0.161 120.507 120.570 0.163 0.000 2.226 222 I HA -0.267 3.919 4.170 0.027 0.000 0.245 222 I C 2.223 178.337 176.117 -0.005 0.000 1.100 222 I CA 1.461 62.798 61.300 0.061 0.000 1.374 222 I CB -0.400 37.664 38.000 0.106 0.000 1.057 222 I HN 0.247 nan 8.210 nan 0.000 0.413 223 E N 0.410 120.593 120.200 -0.028 0.000 2.110 223 E HA -0.168 4.198 4.350 0.027 0.000 0.193 223 E C 2.329 178.877 176.600 -0.088 0.000 0.988 223 E CA 1.519 57.873 56.400 -0.078 0.000 0.804 223 E CB -0.038 29.589 29.700 -0.122 0.000 0.745 223 E HN 0.408 nan 8.360 nan 0.000 0.458 224 S N 0.936 116.577 115.700 -0.098 0.000 2.356 224 S HA -0.179 4.307 4.470 0.027 0.000 0.223 224 S C 2.177 176.780 174.600 0.005 0.000 1.032 224 S CA 1.000 59.173 58.200 -0.044 0.000 1.005 224 S CB -0.238 62.967 63.200 0.009 0.000 0.867 224 S HN 0.387 nan 8.310 nan 0.000 0.449 225 A N 1.573 124.392 122.820 -0.002 0.000 1.883 225 A HA -0.245 4.091 4.320 0.027 0.000 0.217 225 A C 2.169 179.764 177.584 0.018 0.000 1.186 225 A CA 1.939 53.975 52.037 -0.001 0.000 0.624 225 A CB -0.838 18.123 19.000 -0.065 0.000 0.822 225 A HN 0.607 nan 8.150 nan 0.000 0.444 226 Q N -0.834 118.951 119.800 -0.025 0.000 2.050 226 Q HA -0.226 4.130 4.340 0.027 0.000 0.202 226 Q C 1.783 177.769 176.000 -0.023 0.000 0.980 226 Q CA 1.687 57.466 55.803 -0.039 0.000 0.840 226 Q CB -0.192 28.511 28.738 -0.059 0.000 0.898 226 Q HN 0.576 nan 8.270 nan 0.000 0.424 227 E N -0.024 120.171 120.200 -0.009 0.000 2.118 227 E HA -0.229 4.137 4.350 0.027 0.000 0.195 227 E C 1.847 178.471 176.600 0.041 0.000 0.992 227 E CA 1.560 57.962 56.400 0.003 0.000 0.804 227 E CB -0.388 29.314 29.700 0.004 0.000 0.741 227 E HN 0.582 nan 8.360 nan 0.000 0.458 228 H N 0.376 119.429 119.070 -0.027 0.000 2.326 228 H HA 0.032 4.601 4.556 0.022 0.000 0.301 228 H C 2.197 177.516 175.328 -0.014 0.000 1.081 228 H CA 1.387 57.426 56.048 -0.015 0.000 1.334 228 H CB -0.239 29.513 29.762 -0.017 0.000 1.385 228 H HN 0.021 nan 8.280 nan 0.000 0.504 229 L N -0.257 120.951 121.223 -0.025 0.000 2.046 229 L HA -0.157 4.199 4.340 0.027 0.000 0.208 229 L C 2.524 179.362 176.870 -0.053 0.000 1.077 229 L CA 0.991 55.789 54.840 -0.070 0.000 0.747 229 L CB -0.399 41.653 42.059 -0.012 0.000 0.896 229 L HN 0.314 nan 8.230 nan 0.000 0.432 230 L N -0.420 120.779 121.223 -0.041 0.000 2.042 230 L HA -0.224 4.132 4.340 0.027 0.000 0.210 230 L C 2.869 179.739 176.870 -0.000 0.000 1.076 230 L CA 1.657 56.476 54.840 -0.033 0.000 0.749 230 L CB -0.665 41.331 42.059 -0.106 0.000 0.893 230 L HN 0.422 nan 8.230 nan 0.000 0.432 231 S N -0.092 115.587 115.700 -0.035 0.000 2.442 231 S HA -0.122 4.364 4.470 0.027 0.000 0.236 231 S C 1.695 176.283 174.600 -0.020 0.000 1.007 231 S CA 0.848 59.035 58.200 -0.022 0.000 0.965 231 S CB -0.489 62.689 63.200 -0.037 0.000 0.773 231 S HN 0.439 nan 8.310 nan 0.000 0.504 232 L N 0.883 122.062 121.223 -0.073 0.000 2.592 232 L HA 0.361 4.717 4.340 0.027 0.000 0.227 232 L C 1.749 178.650 176.870 0.053 0.000 1.127 232 L CA 0.285 55.090 54.840 -0.058 0.000 0.884 232 L CB -0.514 41.423 42.059 -0.203 0.000 1.065 232 L HN 0.571 nan 8.230 nan 0.000 0.457 233 G N 0.288 109.169 108.800 0.136 0.000 2.136 233 G HA2 -0.235 3.741 3.960 0.027 0.000 0.242 233 G HA3 -0.235 3.741 3.960 0.027 0.000 0.242 233 G C 0.078 175.128 174.900 0.250 0.000 0.989 233 G CA -0.012 45.226 45.100 0.229 0.000 0.682 233 G HN 0.114 nan 8.290 nan 0.000 0.522 234 V N 0.780 120.822 119.914 0.214 0.000 2.364 234 V HA 0.424 4.560 4.120 0.027 0.000 0.272 234 V C 1.014 177.263 176.094 0.258 0.000 1.036 234 V CA -0.333 62.079 62.300 0.186 0.000 0.880 234 V CB 1.111 32.975 31.823 0.070 0.000 0.991 234 V HN 0.462 nan 8.190 nan 0.000 0.460 235 H N 1.599 120.648 119.070 -0.035 0.000 2.827 235 H HA 0.315 4.887 4.556 0.026 0.000 0.269 235 H C 0.102 175.334 175.328 -0.159 0.000 1.031 235 H CA -0.185 55.812 56.048 -0.085 0.000 1.202 235 H CB 1.101 30.818 29.762 -0.075 0.000 1.511 235 H HN 0.611 nan 8.280 nan 0.000 0.517 236 S N 1.188 116.801 115.700 -0.145 0.000 2.536 236 S HA 0.440 4.926 4.470 0.027 0.000 0.271 236 S C -0.639 173.685 174.600 -0.459 0.000 1.134 236 S CA -0.858 57.064 58.200 -0.462 0.000 0.897 236 S CB 2.804 65.370 63.200 -1.058 0.000 1.094 236 S HN 0.167 nan 8.310 nan 0.000 0.473 237 V N -0.992 118.790 119.914 -0.219 0.000 2.971 237 V HA 0.998 5.134 4.120 0.027 0.000 0.309 237 V C 0.033 176.298 176.094 0.284 0.000 1.130 237 V CA -0.883 61.448 62.300 0.051 0.000 0.964 237 V CB 1.519 33.358 31.823 0.026 0.000 1.029 237 V HN 1.035 nan 8.190 nan 0.000 0.427 238 G N 3.093 112.091 108.800 0.329 0.000 2.350 238 G HA2 0.509 4.485 3.960 0.027 0.000 0.306 238 G HA3 0.509 4.485 3.960 0.027 0.000 0.306 238 G C -0.836 174.186 174.900 0.203 0.000 1.094 238 G CA -0.254 45.025 45.100 0.299 0.000 0.953 238 G HN 0.765 nan 8.290 nan 0.000 0.420 239 F N 5.570 125.575 119.950 0.091 0.000 2.375 239 F HA 0.517 5.061 4.527 0.028 0.000 0.362 239 F C -0.159 175.622 175.800 -0.031 0.000 1.129 239 F CA -2.159 55.835 58.000 -0.009 0.000 1.154 239 F CB 0.909 39.931 39.000 0.036 0.000 1.205 239 F HN 0.157 nan 8.300 nan 0.000 0.513 240 M N 3.664 123.295 119.600 0.051 0.000 2.342 240 M HA 0.197 4.693 4.480 0.027 0.000 0.332 240 M C 0.797 177.125 176.300 0.046 0.000 1.166 240 M CA -0.190 55.016 55.300 -0.157 0.000 1.086 240 M CB 0.991 33.226 32.600 -0.608 0.000 1.541 240 M HN 0.627 nan 8.290 nan 0.000 0.462 241 S N 0.136 115.889 115.700 0.088 0.000 3.711 241 S HA -0.073 4.413 4.470 0.027 0.000 0.374 241 S C -0.179 174.432 174.600 0.017 0.000 0.969 241 S CA -0.104 58.198 58.200 0.170 0.000 1.198 241 S CB -1.833 61.611 63.200 0.406 0.000 0.903 241 S HN 0.563 nan 8.310 nan 0.000 0.493 242 V N 1.706 121.488 119.914 -0.220 0.000 2.415 242 V HA 0.505 4.641 4.120 0.027 0.000 0.267 242 V C 1.421 177.405 176.094 -0.182 0.000 1.042 242 V CA 0.397 62.452 62.300 -0.409 0.000 1.000 242 V CB 0.654 32.089 31.823 -0.645 0.000 1.015 242 V HN 0.647 nan 8.190 nan 0.000 0.478 243 G N 3.316 112.041 108.800 -0.126 0.000 2.525 243 G HA2 0.294 4.270 3.960 0.027 0.000 0.287 243 G HA3 0.294 4.270 3.960 0.027 0.000 0.287 243 G C 0.700 175.511 174.900 -0.148 0.000 1.350 243 G CA -0.312 44.731 45.100 -0.095 0.000 1.039 243 G HN 0.606 nan 8.290 nan 0.000 0.513 244 E N -0.075 120.054 120.200 -0.118 0.000 2.033 244 E HA -0.163 4.203 4.350 0.027 0.000 0.199 244 E C 2.363 178.861 176.600 -0.169 0.000 1.011 244 E CA 1.303 57.638 56.400 -0.108 0.000 0.815 244 E CB -0.129 29.532 29.700 -0.066 0.000 0.755 244 E HN 0.461 nan 8.360 nan 0.000 0.451 245 K N 0.359 120.586 120.400 -0.288 0.000 2.103 245 K HA -0.018 4.318 4.320 0.027 0.000 0.204 245 K C 2.199 178.490 176.600 -0.515 0.000 1.052 245 K CA 0.867 56.905 56.287 -0.414 0.000 0.945 245 K CB -0.098 32.073 32.500 -0.549 0.000 0.722 245 K HN 0.044 nan 8.250 nan 0.000 0.443 246 A N 1.496 123.944 122.820 -0.619 0.000 1.902 246 A HA -0.177 4.159 4.320 0.027 0.000 0.217 246 A C 2.099 179.599 177.584 -0.139 0.000 1.181 246 A CA 1.226 53.126 52.037 -0.229 0.000 0.623 246 A CB -0.568 18.418 19.000 -0.022 0.000 0.818 246 A HN 0.227 nan 8.150 nan 0.000 0.443 247 L N -0.040 121.048 121.223 -0.225 0.000 2.012 247 L HA -0.174 4.181 4.340 0.027 0.000 0.210 247 L C 2.272 179.013 176.870 -0.216 0.000 1.073 247 L CA 2.326 56.987 54.840 -0.298 0.000 0.748 247 L CB -0.533 41.357 42.059 -0.282 0.000 0.891 247 L HN 0.349 nan 8.230 nan 0.000 0.431 248 K N -0.738 119.627 120.400 -0.059 0.000 2.103 248 K HA -0.175 4.161 4.320 0.027 0.000 0.207 248 K C 2.036 178.676 176.600 0.067 0.000 1.048 248 K CA 1.402 57.731 56.287 0.071 0.000 0.930 248 K CB -0.391 32.130 32.500 0.036 0.000 0.716 248 K HN 0.514 nan 8.250 nan 0.000 0.444 249 A N 1.297 124.133 122.820 0.026 0.000 1.898 249 A HA -0.111 4.225 4.320 0.027 0.000 0.216 249 A C 2.115 179.737 177.584 0.063 0.000 1.181 249 A CA 1.132 53.215 52.037 0.078 0.000 0.620 249 A CB -0.517 18.575 19.000 0.153 0.000 0.819 249 A HN 0.147 nan 8.150 nan 0.000 0.442 250 L N -1.935 119.287 121.223 -0.001 0.000 2.056 250 L HA -0.149 4.207 4.340 0.027 0.000 0.207 250 L C 2.453 179.304 176.870 -0.032 0.000 1.078 250 L CA 1.123 55.938 54.840 -0.042 0.000 0.749 250 L CB -0.558 41.422 42.059 -0.132 0.000 0.901 250 L HN 0.336 nan 8.230 nan 0.000 0.433 251 F N 0.397 120.340 119.950 -0.012 0.000 2.134 251 F HA -0.231 4.313 4.527 0.028 0.000 0.299 251 F C 2.634 178.420 175.800 -0.024 0.000 1.097 251 F CA 1.561 59.539 58.000 -0.036 0.000 1.264 251 F CB -0.587 38.381 39.000 -0.054 0.000 1.001 251 F HN 0.151 nan 8.300 nan 0.000 0.479 252 E N 0.383 120.694 120.200 0.185 0.000 2.047 252 E HA -0.178 4.188 4.350 0.027 0.000 0.191 252 E C 2.294 178.937 176.600 0.071 0.000 0.987 252 E CA 1.021 57.483 56.400 0.103 0.000 0.799 252 E CB -0.240 29.511 29.700 0.084 0.000 0.752 252 E HN 0.341 nan 8.360 nan 0.000 0.449 253 L N 0.725 121.986 121.223 0.063 0.000 2.042 253 L HA -0.227 4.129 4.340 0.027 0.000 0.210 253 L C 2.678 179.566 176.870 0.031 0.000 1.076 253 L CA 1.671 56.535 54.840 0.039 0.000 0.749 253 L CB -0.498 41.581 42.059 0.033 0.000 0.893 253 L HN 0.240 nan 8.230 nan 0.000 0.432 254 E N 1.235 121.460 120.200 0.042 0.000 2.023 254 E HA -0.279 4.087 4.350 0.027 0.000 0.196 254 E C 2.202 178.824 176.600 0.036 0.000 1.003 254 E CA 1.938 58.361 56.400 0.037 0.000 0.809 254 E CB -0.171 29.566 29.700 0.062 0.000 0.755 254 E HN 0.450 nan 8.360 nan 0.000 0.449 255 R N 0.228 120.757 120.500 0.048 0.000 2.189 255 R HA -0.042 4.314 4.340 0.027 0.000 0.223 255 R C 1.691 178.002 176.300 0.019 0.000 1.092 255 R CA 1.575 57.691 56.100 0.027 0.000 0.989 255 R CB -0.367 29.942 30.300 0.016 0.000 0.876 255 R HN 0.232 nan 8.270 nan 0.000 0.457 256 E N 0.532 120.746 120.200 0.023 0.000 2.511 256 E HA 0.045 4.411 4.350 0.027 0.000 0.196 256 E C 0.568 177.173 176.600 0.009 0.000 1.066 256 E CA 0.349 56.759 56.400 0.016 0.000 0.871 256 E CB 0.254 29.966 29.700 0.019 0.000 0.863 256 E HN 0.678 nan 8.360 nan 0.000 0.520 257 G N 1.869 110.673 108.800 0.007 0.000 2.160 257 G HA2 -0.353 3.623 3.960 0.027 0.000 0.251 257 G HA3 -0.353 3.623 3.960 0.027 0.000 0.251 257 G C 0.780 175.675 174.900 -0.008 0.000 1.008 257 G CA 0.503 45.602 45.100 -0.001 0.000 0.724 257 G HN 0.268 nan 8.290 nan 0.000 0.514 258 R N -1.077 119.420 120.500 -0.006 0.000 2.362 258 R HA 0.361 4.717 4.340 0.027 0.000 0.227 258 R C 1.033 177.319 176.300 -0.023 0.000 0.905 258 R CA -0.233 55.859 56.100 -0.013 0.000 1.067 258 R CB 0.307 30.605 30.300 -0.004 0.000 1.078 258 R HN 0.409 nan 8.270 nan 0.000 0.516 259 L N 1.282 122.490 121.223 -0.025 0.000 2.319 259 L HA 0.174 4.530 4.340 0.027 0.000 0.280 259 L C 0.783 177.617 176.870 -0.060 0.000 1.099 259 L CA 0.347 55.162 54.840 -0.042 0.000 0.828 259 L CB 1.104 43.136 42.059 -0.044 0.000 1.150 259 L HN -0.017 nan 8.230 nan 0.000 0.442 260 K N 4.800 125.153 120.400 -0.079 0.000 2.469 260 K HA 0.295 4.631 4.320 0.027 0.000 0.204 260 K C -0.428 176.087 176.600 -0.141 0.000 1.047 260 K CA -0.045 56.180 56.287 -0.104 0.000 1.072 260 K CB 0.703 33.139 32.500 -0.106 0.000 0.863 260 K HN 0.600 nan 8.250 nan 0.000 0.530 261 M N -1.453 118.071 119.600 -0.126 0.000 2.569 261 M HA 0.452 4.948 4.480 0.027 0.000 0.279 261 M C -1.707 174.507 176.300 -0.143 0.000 1.253 261 M CA -0.927 54.292 55.300 -0.134 0.000 0.867 261 M CB 1.562 34.088 32.600 -0.122 0.000 1.727 261 M HN -0.274 nan 8.290 nan 0.000 0.467 262 N N 1.756 120.360 118.700 -0.160 0.000 2.442 262 N HA 0.364 5.119 4.740 0.027 0.000 0.265 262 N C -1.285 174.049 175.510 -0.293 0.000 1.138 262 N CA -0.115 52.776 53.050 -0.265 0.000 0.956 262 N CB 1.577 39.947 38.487 -0.196 0.000 1.067 262 N HN 0.480 nan 8.380 nan 0.000 0.474 263 V N 4.032 123.711 119.914 -0.392 0.000 2.350 263 V HA 0.347 4.483 4.120 0.027 0.000 0.285 263 V C -0.541 175.349 176.094 -0.340 0.000 1.014 263 V CA -0.653 61.534 62.300 -0.188 0.000 0.831 263 V CB 0.143 31.933 31.823 -0.054 0.000 1.000 263 V HN 0.419 nan 8.190 nan 0.000 0.433 264 F N 3.652 123.586 119.950 -0.025 0.000 2.313 264 F HA 0.658 5.201 4.527 0.026 0.000 0.369 264 F C 0.820 176.738 175.800 0.197 0.000 1.109 264 F CA -0.432 57.539 58.000 -0.048 0.000 1.132 264 F CB 1.190 40.133 39.000 -0.095 0.000 1.291 264 F HN 0.528 nan 8.300 nan 0.000 0.496 265 A N 3.926 126.867 122.820 0.201 0.000 2.309 265 A HA 0.494 4.830 4.320 0.027 0.000 0.290 265 A C -1.405 176.244 177.584 0.110 0.000 1.206 265 A CA -0.279 51.822 52.037 0.106 0.000 0.850 265 A CB -0.087 18.854 19.000 -0.098 0.000 1.118 265 A HN 0.621 nan 8.150 nan 0.000 0.523 266 Y N 3.056 123.352 120.300 -0.006 0.000 2.402 266 Y HA 0.377 4.944 4.550 0.028 0.000 0.332 266 Y C 0.244 176.100 175.900 -0.073 0.000 0.960 266 Y CA -0.397 57.712 58.100 0.015 0.000 1.228 266 Y CB 1.055 39.530 38.460 0.024 0.000 1.120 266 Y HN 0.532 nan 8.280 nan 0.000 0.491 267 L N 2.274 123.505 121.223 0.014 0.000 2.436 267 L HA 0.320 4.676 4.340 0.027 0.000 0.265 267 L C 0.634 177.514 176.870 0.018 0.000 1.168 267 L CA -0.548 54.271 54.840 -0.036 0.000 0.815 267 L CB 0.687 42.718 42.059 -0.046 0.000 1.109 267 L HN 0.514 nan 8.230 nan 0.000 0.462 268 S N 2.552 118.260 115.700 0.013 0.000 2.560 268 S HA 0.062 4.548 4.470 0.027 0.000 0.284 268 S C -1.348 173.276 174.600 0.040 0.000 1.327 268 S CA -0.880 57.353 58.200 0.056 0.000 1.055 268 S CB 0.759 63.993 63.200 0.058 0.000 0.868 268 S HN 0.533 nan 8.310 nan 0.000 0.506 269 P HA -0.082 nan 4.420 nan 0.000 0.225 269 P C 0.635 177.951 177.300 0.025 0.000 1.148 269 P CA 0.855 63.977 63.100 0.037 0.000 0.779 269 P CB 0.161 31.888 31.700 0.046 0.000 0.780 270 E N 0.074 120.290 120.200 0.026 0.000 2.209 270 E HA -0.120 4.246 4.350 0.027 0.000 0.196 270 E C 1.964 178.570 176.600 0.010 0.000 0.993 270 E CA 0.834 57.244 56.400 0.016 0.000 0.819 270 E CB -0.967 28.741 29.700 0.015 0.000 0.745 270 E HN 0.284 nan 8.360 nan 0.000 0.477 271 L N 0.011 121.238 121.223 0.007 0.000 2.465 271 L HA -0.061 4.295 4.340 0.027 0.000 0.224 271 L C 1.826 178.703 176.870 0.012 0.000 1.145 271 L CA 0.194 55.037 54.840 0.006 0.000 0.834 271 L CB -0.145 41.911 42.059 -0.004 0.000 0.944 271 L HN 0.185 nan 8.230 nan 0.000 0.451 272 L N -0.499 120.730 121.223 0.011 0.000 2.079 272 L HA -0.263 4.093 4.340 0.027 0.000 0.210 272 L C 2.143 179.019 176.870 0.010 0.000 1.081 272 L CA 1.110 55.956 54.840 0.010 0.000 0.752 272 L CB -0.578 41.484 42.059 0.005 0.000 0.896 272 L HN 0.289 nan 8.230 nan 0.000 0.433 273 D N 0.285 120.690 120.400 0.009 0.000 2.116 273 D HA -0.197 4.459 4.640 0.027 0.000 0.193 273 D C 2.214 178.520 176.300 0.010 0.000 0.998 273 D CA 1.386 55.391 54.000 0.008 0.000 0.836 273 D CB -0.072 40.732 40.800 0.007 0.000 0.951 273 D HN 0.302 nan 8.370 nan 0.000 0.449 274 K N 0.040 120.448 120.400 0.013 0.000 2.103 274 K HA 0.034 4.369 4.320 0.027 0.000 0.204 274 K C 2.334 178.945 176.600 0.019 0.000 1.052 274 K CA 0.298 56.593 56.287 0.014 0.000 0.945 274 K CB 0.001 32.512 32.500 0.018 0.000 0.722 274 K HN 0.130 nan 8.250 nan 0.000 0.443 275 L N 1.083 122.322 121.223 0.026 0.000 2.017 275 L HA -0.213 4.143 4.340 0.027 0.000 0.208 275 L C 2.143 179.028 176.870 0.025 0.000 1.073 275 L CA 1.561 56.421 54.840 0.033 0.000 0.745 275 L CB -0.538 41.544 42.059 0.039 0.000 0.894 275 L HN 0.261 nan 8.230 nan 0.000 0.432 276 E N -0.249 119.961 120.200 0.017 0.000 2.153 276 E HA -0.200 4.166 4.350 0.027 0.000 0.194 276 E C 1.996 178.602 176.600 0.011 0.000 0.988 276 E CA 0.746 57.154 56.400 0.013 0.000 0.811 276 E CB 0.042 29.747 29.700 0.008 0.000 0.746 276 E HN 0.390 nan 8.360 nan 0.000 0.466 277 E N 0.078 120.283 120.200 0.009 0.000 2.347 277 E HA -0.059 4.307 4.350 0.027 0.000 0.196 277 E C 1.660 178.261 176.600 0.003 0.000 1.008 277 E CA 0.581 56.984 56.400 0.005 0.000 0.852 277 E CB 0.267 29.968 29.700 0.002 0.000 0.783 277 E HN 0.324 nan 8.360 nan 0.000 0.505 278 L N 0.030 121.256 121.223 0.006 0.000 2.693 278 L HA 0.121 4.477 4.340 0.027 0.000 0.235 278 L C 0.423 177.304 176.870 0.018 0.000 1.127 278 L CA -0.186 54.656 54.840 0.005 0.000 0.914 278 L CB 0.121 42.176 42.059 -0.007 0.000 1.193 278 L HN 0.007 nan 8.230 nan 0.000 0.502 279 N N 1.053 119.766 118.700 0.023 0.000 2.708 279 N HA -0.236 4.520 4.740 0.027 0.000 0.249 279 N C -0.334 175.209 175.510 0.055 0.000 1.097 279 N CA 0.409 53.478 53.050 0.032 0.000 0.710 279 N CB -1.028 37.475 38.487 0.028 0.000 1.032 279 N HN 0.170 nan 8.380 nan 0.000 0.551 280 L N -0.137 121.121 121.223 0.060 0.000 2.313 280 L HA 0.645 5.001 4.340 0.027 0.000 0.282 280 L C 1.149 178.082 176.870 0.105 0.000 1.092 280 L CA 0.744 55.644 54.840 0.099 0.000 0.831 280 L CB 0.763 42.865 42.059 0.072 0.000 1.159 280 L HN 0.224 nan 8.230 nan 0.000 0.442 281 G N 3.931 112.812 108.800 0.135 0.000 3.356 281 G HA2 0.196 4.171 3.960 0.027 0.000 0.178 281 G HA3 0.196 4.171 3.960 0.027 0.000 0.178 281 G C -0.813 174.170 174.900 0.139 0.000 1.130 281 G CA -0.748 44.408 45.100 0.095 0.000 0.800 281 G HN 0.582 nan 8.290 nan 0.000 0.669 282 K N 0.053 120.489 120.400 0.060 0.000 2.472 282 K HA 0.217 4.553 4.320 0.027 0.000 0.280 282 K C -1.733 174.981 176.600 0.188 0.000 1.028 282 K CA 0.330 56.647 56.287 0.049 0.000 1.045 282 K CB -0.083 32.316 32.500 -0.168 0.000 0.902 282 K HN 0.262 nan 8.250 nan 0.000 0.478 283 F N 2.896 122.968 119.950 0.203 0.000 2.605 283 F HA 0.132 4.675 4.527 0.026 0.000 0.320 283 F C -0.994 174.970 175.800 0.273 0.000 1.159 283 F CA -0.714 57.407 58.000 0.201 0.000 0.999 283 F CB 1.718 40.810 39.000 0.153 0.000 1.258 283 F HN 0.532 nan 8.300 nan 0.000 0.464 284 E N 4.425 124.833 120.200 0.347 0.000 2.073 284 E HA 0.488 4.854 4.350 0.027 0.000 0.269 284 E C 0.021 176.786 176.600 0.275 0.000 0.917 284 E CA -0.428 56.139 56.400 0.278 0.000 0.757 284 E CB 1.126 30.949 29.700 0.205 0.000 1.111 284 E HN 0.832 nan 8.360 nan 0.000 0.410 285 G N 2.848 111.795 108.800 0.245 0.000 2.509 285 G HA2 0.033 4.009 3.960 0.027 0.000 0.269 285 G HA3 0.033 4.009 3.960 0.027 0.000 0.269 285 G C 0.822 175.750 174.900 0.047 0.000 1.416 285 G CA -0.342 44.860 45.100 0.171 0.000 1.052 285 G HN 0.496 nan 8.290 nan 0.000 0.542 286 R N -0.689 119.828 120.500 0.027 0.000 2.075 286 R HA 0.066 4.422 4.340 0.027 0.000 0.232 286 R C 2.110 178.373 176.300 -0.062 0.000 1.126 286 R CA 0.920 57.015 56.100 -0.008 0.000 0.963 286 R CB -0.354 29.947 30.300 0.002 0.000 0.858 286 R HN 0.333 nan 8.270 nan 0.000 0.435 287 R N -0.208 120.242 120.500 -0.084 0.000 2.243 287 R HA 0.218 4.574 4.340 0.027 0.000 0.193 287 R C 0.523 176.681 176.300 -0.237 0.000 0.933 287 R CA -0.325 55.684 56.100 -0.152 0.000 1.105 287 R CB -0.729 29.505 30.300 -0.110 0.000 1.169 287 R HN 0.068 nan 8.270 nan 0.000 0.599 288 L N 2.710 123.839 121.223 -0.155 0.000 2.319 288 L HA 0.304 4.659 4.340 0.027 0.000 0.280 288 L C -0.732 176.027 176.870 -0.185 0.000 1.099 288 L CA -0.017 54.722 54.840 -0.169 0.000 0.828 288 L CB 0.599 42.608 42.059 -0.083 0.000 1.150 288 L HN -0.124 nan 8.230 nan 0.000 0.442 289 R N 5.454 125.765 120.500 -0.316 0.000 2.437 289 R HA 0.537 4.893 4.340 0.027 0.000 0.310 289 R C -0.934 175.397 176.300 0.052 0.000 0.955 289 R CA -0.573 55.405 56.100 -0.202 0.000 0.851 289 R CB 1.308 31.127 30.300 -0.803 0.000 1.161 289 R HN 0.510 nan 8.270 nan 0.000 0.446 290 I N 3.030 123.751 120.570 0.251 0.000 2.308 290 I HA 0.027 4.213 4.170 0.027 0.000 0.293 290 I C 0.457 176.814 176.117 0.400 0.000 1.078 290 I CA 0.315 61.751 61.300 0.226 0.000 1.292 290 I CB 0.349 38.480 38.000 0.217 0.000 1.423 290 I HN 0.750 nan 8.210 nan 0.000 0.493 291 W N 5.150 126.381 121.300 -0.116 0.000 3.097 291 W HA 0.291 4.967 4.660 0.027 0.000 0.245 291 W C 0.566 176.829 176.519 -0.427 0.000 1.120 291 W CA 0.093 57.326 57.345 -0.187 0.000 1.468 291 W CB 1.850 31.246 29.460 -0.106 0.000 0.851 291 W HN 0.578 nan 8.180 nan 0.000 0.692 292 G N 0.367 108.902 108.800 -0.441 0.000 2.554 292 G HA2 0.444 4.420 3.960 0.027 0.000 0.306 292 G HA3 0.444 4.420 3.960 0.027 0.000 0.306 292 G C -1.929 172.863 174.900 -0.180 0.000 1.320 292 G CA -0.502 44.292 45.100 -0.510 0.000 0.800 292 G HN -0.206 nan 8.290 nan 0.000 0.481 296 F N 0.191 120.184 119.950 0.072 0.000 2.499 296 F HA 0.451 4.993 4.527 0.025 0.000 0.333 296 F C 0.703 176.535 175.800 0.054 0.000 1.138 296 F CA -0.559 57.465 58.000 0.042 0.000 0.945 296 F CB 1.801 40.741 39.000 -0.101 0.000 1.181 296 F HN 0.060 nan 8.300 nan 0.000 0.435 297 V N 0.747 120.816 119.914 0.258 0.000 2.407 297 V HA -0.089 4.047 4.120 0.027 0.000 0.245 297 V C 0.520 176.725 176.094 0.185 0.000 1.041 297 V CA 1.602 64.006 62.300 0.174 0.000 1.040 297 V CB -0.500 31.397 31.823 0.123 0.000 0.671 297 V HN 0.833 nan 8.190 nan 0.000 0.455 298 D N -1.725 118.840 120.400 0.275 0.000 2.798 298 D HA 0.437 5.093 4.640 0.027 0.000 0.308 298 D C 0.309 176.741 176.300 0.220 0.000 1.187 298 D CA 0.229 54.360 54.000 0.219 0.000 1.033 298 D CB 1.188 42.115 40.800 0.212 0.000 1.445 298 D HN 0.059 nan 8.370 nan 0.000 0.550 299 G N -0.534 108.378 108.800 0.187 0.000 3.182 299 G HA2 0.518 4.494 3.960 0.027 0.000 0.167 299 G HA3 0.518 4.494 3.960 0.027 0.000 0.167 299 G C -0.438 174.626 174.900 0.274 0.000 1.537 299 G CA 0.053 45.243 45.100 0.151 0.000 1.046 299 G HN 0.849 nan 8.290 nan 0.000 0.580 300 S N -1.335 114.446 115.700 0.136 0.000 2.599 300 S HA 0.483 4.969 4.470 0.027 0.000 0.294 300 S C 0.905 175.545 174.600 0.066 0.000 1.094 300 S CA -0.721 57.541 58.200 0.103 0.000 0.931 300 S CB 1.916 65.133 63.200 0.030 0.000 1.093 300 S HN 0.297 nan 8.310 nan 0.000 0.488 301 L N 1.529 122.816 121.223 0.107 0.000 2.141 301 L HA 0.089 4.445 4.340 0.027 0.000 0.209 301 L C 2.712 179.441 176.870 -0.235 0.000 1.094 301 L CA 1.503 56.425 54.840 0.136 0.000 0.763 301 L CB -0.939 41.314 42.059 0.324 0.000 0.908 301 L HN 1.003 nan 8.230 nan 0.000 0.437 302 G N -0.418 108.119 108.800 -0.438 0.000 2.418 302 G HA2 -0.216 3.760 3.960 0.027 0.000 0.217 302 G HA3 -0.216 3.760 3.960 0.027 0.000 0.217 302 G C 1.557 176.109 174.900 -0.580 0.000 1.158 302 G CA 0.716 45.271 45.100 -0.908 0.000 0.771 302 G HN 0.463 nan 8.290 nan 0.000 0.545 303 A N -0.403 122.212 122.820 -0.341 0.000 2.275 303 A HA 0.376 4.712 4.320 0.027 0.000 0.212 303 A C 1.454 178.831 177.584 -0.345 0.000 1.201 303 A CA 0.550 52.412 52.037 -0.292 0.000 0.843 303 A CB -0.116 18.781 19.000 -0.172 0.000 0.873 303 A HN 0.370 nan 8.150 nan 0.000 0.492 304 R N -1.137 119.101 120.500 -0.437 0.000 3.651 304 R HA -0.158 4.198 4.340 0.027 0.000 0.292 304 R C 0.705 176.793 176.300 -0.354 0.000 1.161 304 R CA 1.125 56.755 56.100 -0.783 0.000 0.787 304 R CB -2.939 26.705 30.300 -1.092 0.000 1.249 304 R HN 0.716 nan 8.270 nan 0.000 0.476 305 T N -3.680 110.816 114.554 -0.096 0.000 3.054 305 T HA 0.446 4.812 4.350 0.027 0.000 0.255 305 T C 0.834 175.612 174.700 0.130 0.000 1.035 305 T CA 0.255 62.364 62.100 0.015 0.000 0.941 305 T CB 0.621 69.476 68.868 -0.022 0.000 1.026 305 T HN 0.442 nan 8.240 nan 0.000 0.533 306 A N 1.835 124.779 122.820 0.206 0.000 2.477 306 A HA 0.570 4.906 4.320 0.027 0.000 0.246 306 A C -0.011 177.705 177.584 0.219 0.000 1.078 306 A CA -0.498 51.675 52.037 0.227 0.000 0.770 306 A CB -0.135 18.998 19.000 0.223 0.000 1.011 306 A HN 0.503 nan 8.150 nan 0.000 0.494 307 L N 3.876 125.188 121.223 0.149 0.000 2.283 307 L HA 0.440 4.795 4.340 0.027 0.000 0.287 307 L C -0.446 176.454 176.870 0.050 0.000 1.073 307 L CA 0.338 55.241 54.840 0.104 0.000 0.822 307 L CB 0.038 42.149 42.059 0.086 0.000 1.186 307 L HN 0.607 nan 8.230 nan 0.000 0.436 308 L N 3.629 124.856 121.223 0.006 0.000 2.334 308 L HA 0.446 4.802 4.340 0.027 0.000 0.270 308 L C 1.251 178.118 176.870 -0.005 0.000 1.018 308 L CA -0.579 54.234 54.840 -0.045 0.000 0.811 308 L CB 1.722 43.647 42.059 -0.223 0.000 1.271 308 L HN 0.555 nan 8.230 nan 0.000 0.443 309 S N -0.305 115.408 115.700 0.021 0.000 2.461 309 S HA 0.029 4.514 4.470 0.027 0.000 0.228 309 S C 0.227 174.844 174.600 0.029 0.000 1.005 309 S CA 0.714 58.930 58.200 0.026 0.000 0.942 309 S CB 0.035 63.253 63.200 0.030 0.000 0.776 309 S HN 0.573 nan 8.310 nan 0.000 0.514 310 E N 0.157 120.371 120.200 0.022 0.000 2.336 310 E HA 0.397 4.763 4.350 0.027 0.000 0.267 310 E C -2.893 173.688 176.600 -0.032 0.000 0.906 310 E CA -2.579 53.826 56.400 0.007 0.000 0.781 310 E CB 1.492 31.204 29.700 0.020 0.000 1.261 310 E HN -0.055 nan 8.360 nan 0.000 0.436 311 P HA -0.048 nan 4.420 nan 0.000 0.270 311 P C -1.002 176.292 177.300 -0.011 0.000 1.223 311 P CA 0.107 63.221 63.100 0.024 0.000 0.785 311 P CB 0.236 31.968 31.700 0.053 0.000 0.923 312 Y N 0.162 120.459 120.300 -0.006 0.000 2.712 312 Y HA -0.085 4.480 4.550 0.025 0.000 0.333 312 Y C 2.268 178.155 175.900 -0.022 0.000 1.225 312 Y CA 0.998 59.087 58.100 -0.018 0.000 1.499 312 Y CB -0.512 37.928 38.460 -0.033 0.000 1.288 312 Y HN 0.389 nan 8.280 nan 0.000 0.575 313 T N 0.684 115.291 114.554 0.088 0.000 2.788 313 T HA -0.170 4.195 4.350 0.027 0.000 0.268 313 T C 0.981 175.720 174.700 0.065 0.000 1.044 313 T CA 1.717 63.845 62.100 0.047 0.000 1.139 313 T CB -0.166 68.708 68.868 0.011 0.000 0.867 313 T HN 0.745 nan 8.240 nan 0.000 0.454 314 D N -0.058 120.398 120.400 0.092 0.000 2.368 314 D HA 0.086 4.742 4.640 0.027 0.000 0.218 314 D C 0.182 176.494 176.300 0.021 0.000 1.112 314 D CA -0.179 53.849 54.000 0.046 0.000 0.834 314 D CB -0.191 40.624 40.800 0.026 0.000 0.953 314 D HN 0.157 nan 8.370 nan 0.000 0.505 315 N N 0.404 119.140 118.700 0.060 0.000 2.827 315 N HA 0.172 4.928 4.740 0.027 0.000 0.240 315 N C -2.581 172.974 175.510 0.074 0.000 1.352 315 N CA -1.159 51.906 53.050 0.025 0.000 0.760 315 N CB 1.662 40.114 38.487 -0.059 0.000 1.426 315 N HN -0.255 nan 8.380 nan 0.000 0.561 316 P HA -0.003 nan 4.420 nan 0.000 0.239 316 P C 1.042 178.369 177.300 0.046 0.000 1.184 316 P CA 1.018 64.150 63.100 0.053 0.000 0.760 316 P CB 0.141 31.860 31.700 0.031 0.000 0.884 317 T N -6.392 108.184 114.554 0.036 0.000 3.081 317 T HA 0.103 4.469 4.350 0.027 0.000 0.250 317 T C 0.641 175.362 174.700 0.035 0.000 1.100 317 T CA 0.251 62.366 62.100 0.025 0.000 1.038 317 T CB -0.380 68.492 68.868 0.006 0.000 0.962 317 T HN -0.028 nan 8.240 nan 0.000 0.516 318 T N -0.420 114.175 114.554 0.068 0.000 2.903 318 T HA 0.547 4.913 4.350 0.027 0.000 0.299 318 T C -0.250 174.578 174.700 0.213 0.000 1.093 318 T CA -0.628 61.530 62.100 0.096 0.000 1.002 318 T CB 1.942 70.830 68.868 0.033 0.000 1.127 318 T HN -0.018 nan 8.240 nan 0.000 0.488 319 S N 1.742 117.554 115.700 0.186 0.000 2.730 319 S HA 0.590 5.076 4.470 0.027 0.000 0.244 319 S C 0.673 175.423 174.600 0.249 0.000 1.022 319 S CA 0.039 58.353 58.200 0.190 0.000 1.014 319 S CB 0.172 63.418 63.200 0.078 0.000 0.963 319 S HN 1.452 nan 8.310 nan 0.000 0.540 320 G N 2.549 111.516 108.800 0.278 0.000 2.582 320 G HA2 -0.092 3.884 3.960 0.027 0.000 0.222 320 G HA3 -0.092 3.884 3.960 0.027 0.000 0.222 320 G C -1.003 173.960 174.900 0.105 0.000 1.311 320 G CA -0.447 44.787 45.100 0.222 0.000 0.915 320 G HN 0.491 nan 8.290 nan 0.000 0.528 321 E N -1.073 119.178 120.200 0.085 0.000 2.234 321 E HA 0.628 4.994 4.350 0.027 0.000 0.266 321 E C -0.957 175.679 176.600 0.060 0.000 0.877 321 E CA -1.151 55.281 56.400 0.053 0.000 0.758 321 E CB 2.202 31.916 29.700 0.023 0.000 1.170 321 E HN 0.911 nan 8.360 nan 0.000 0.415 322 L N 4.942 126.193 121.223 0.047 0.000 2.283 322 L HA 0.166 4.522 4.340 0.027 0.000 0.287 322 L C 0.062 176.955 176.870 0.039 0.000 1.073 322 L CA 0.065 54.933 54.840 0.047 0.000 0.822 322 L CB 1.314 43.394 42.059 0.035 0.000 1.186 322 L HN 0.751 nan 8.230 nan 0.000 0.436 323 V N 4.899 124.843 119.914 0.050 0.000 2.500 323 V HA 0.130 4.266 4.120 0.027 0.000 0.243 323 V C 0.959 177.081 176.094 0.047 0.000 1.039 323 V CA 1.124 63.448 62.300 0.040 0.000 1.053 323 V CB -0.324 31.524 31.823 0.041 0.000 0.695 323 V HN 0.713 nan 8.190 nan 0.000 0.463 324 M N 1.051 120.687 119.600 0.061 0.000 2.326 324 M HA 0.383 4.879 4.480 0.027 0.000 0.292 324 M C -0.808 175.507 176.300 0.026 0.000 1.081 324 M CA -0.518 54.809 55.300 0.045 0.000 0.919 324 M CB 2.316 34.951 32.600 0.059 0.000 1.634 324 M HN 0.360 nan 8.290 nan 0.000 0.451 325 N N 2.112 120.819 118.700 0.011 0.000 2.448 325 N HA 0.298 5.053 4.740 0.027 0.000 0.274 325 N C 0.419 175.917 175.510 -0.020 0.000 1.239 325 N CA -0.615 52.434 53.050 -0.002 0.000 0.982 325 N CB 0.638 39.124 38.487 -0.001 0.000 1.199 325 N HN 0.626 nan 8.380 nan 0.000 0.576 326 K N -0.705 119.677 120.400 -0.029 0.000 2.044 326 K HA -0.210 4.126 4.320 0.027 0.000 0.210 326 K C 0.403 176.980 176.600 -0.039 0.000 1.049 326 K CA 1.886 58.145 56.287 -0.047 0.000 0.927 326 K CB -0.342 32.133 32.500 -0.042 0.000 0.713 326 K HN 0.535 nan 8.250 nan 0.000 0.443 327 D N 0.714 121.100 120.400 -0.024 0.000 2.178 327 D HA -0.136 4.520 4.640 0.027 0.000 0.201 327 D C 1.734 178.022 176.300 -0.019 0.000 0.980 327 D CA 1.173 55.162 54.000 -0.019 0.000 0.842 327 D CB -0.021 40.773 40.800 -0.011 0.000 0.948 327 D HN 0.447 nan 8.370 nan 0.000 0.472 328 E N 0.000 120.191 120.200 -0.016 0.000 2.152 328 E HA -0.032 4.334 4.350 0.027 0.000 0.192 328 E C 2.279 178.868 176.600 -0.018 0.000 0.983 328 E CA 0.275 56.669 56.400 -0.010 0.000 0.818 328 E CB 0.166 29.867 29.700 0.002 0.000 0.758 328 E HN 0.306 nan 8.360 nan 0.000 0.467 329 I N 0.612 121.162 120.570 -0.032 0.000 2.233 329 I HA -0.224 3.962 4.170 0.027 0.000 0.243 329 I C 2.318 178.398 176.117 -0.062 0.000 1.093 329 I CA 0.673 61.943 61.300 -0.051 0.000 1.380 329 I CB -0.226 37.718 38.000 -0.093 0.000 1.067 329 I HN -0.035 nan 8.210 nan 0.000 0.413 330 V N 0.822 120.701 119.914 -0.058 0.000 2.324 330 V HA -0.312 3.824 4.120 0.027 0.000 0.250 330 V C 2.592 178.653 176.094 -0.055 0.000 1.060 330 V CA 1.991 64.260 62.300 -0.052 0.000 1.042 330 V CB -0.718 31.088 31.823 -0.029 0.000 0.650 330 V HN 0.487 nan 8.190 nan 0.000 0.450 331 E N 0.134 120.310 120.200 -0.040 0.000 2.085 331 E HA -0.195 4.171 4.350 0.027 0.000 0.194 331 E C 2.220 178.793 176.600 -0.046 0.000 0.994 331 E CA 1.735 58.114 56.400 -0.034 0.000 0.801 331 E CB -0.082 29.606 29.700 -0.020 0.000 0.743 331 E HN 0.472 nan 8.360 nan 0.000 0.453 332 V N 1.319 121.203 119.914 -0.050 0.000 2.358 332 V HA -0.237 3.899 4.120 0.027 0.000 0.246 332 V C 2.544 178.572 176.094 -0.110 0.000 1.047 332 V CA 1.396 63.662 62.300 -0.056 0.000 1.035 332 V CB -0.407 31.398 31.823 -0.031 0.000 0.658 332 V HN 0.254 nan 8.190 nan 0.000 0.452 333 I N -0.096 120.373 120.570 -0.169 0.000 2.194 333 I HA -0.235 3.951 4.170 0.027 0.000 0.246 333 I C 2.586 178.545 176.117 -0.263 0.000 1.093 333 I CA 1.431 62.521 61.300 -0.349 0.000 1.355 333 I CB -0.403 37.344 38.000 -0.422 0.000 1.046 333 I HN 0.328 nan 8.210 nan 0.000 0.413 334 E N 0.655 120.772 120.200 -0.140 0.000 2.204 334 E HA -0.150 4.216 4.350 0.027 0.000 0.194 334 E C 2.242 178.806 176.600 -0.060 0.000 0.989 334 E CA 0.877 57.229 56.400 -0.079 0.000 0.824 334 E CB -0.129 29.544 29.700 -0.044 0.000 0.756 334 E HN 0.533 nan 8.360 nan 0.000 0.477 335 R N 0.175 120.637 120.500 -0.063 0.000 2.119 335 R HA 0.094 4.450 4.340 0.027 0.000 0.222 335 R C 2.238 178.511 176.300 -0.044 0.000 1.088 335 R CA 0.870 56.946 56.100 -0.041 0.000 0.984 335 R CB -0.069 30.212 30.300 -0.031 0.000 0.884 335 R HN 0.049 nan 8.270 nan 0.000 0.447 336 A N 1.496 124.268 122.820 -0.079 0.000 1.929 336 A HA -0.118 4.218 4.320 0.027 0.000 0.216 336 A C 1.782 179.353 177.584 -0.020 0.000 1.176 336 A CA 1.009 53.007 52.037 -0.065 0.000 0.628 336 A CB -0.140 18.792 19.000 -0.114 0.000 0.816 336 A HN 0.137 nan 8.150 nan 0.000 0.444 337 K N -0.274 120.111 120.400 -0.025 0.000 2.000 337 K HA -0.163 4.172 4.320 0.027 0.000 0.218 337 K C -0.693 175.929 176.600 0.036 0.000 1.053 337 K CA 1.984 58.306 56.287 0.058 0.000 0.946 337 K CB -1.085 31.448 32.500 0.053 0.000 0.723 337 K HN 0.453 nan 8.250 nan 0.000 0.446 338 P HA -0.076 nan 4.420 nan 0.000 0.233 338 P C 0.892 178.195 177.300 0.005 0.000 1.167 338 P CA 1.062 64.168 63.100 0.009 0.000 0.770 338 P CB 0.054 31.758 31.700 0.005 0.000 0.837 339 L N -1.122 120.104 121.223 0.004 0.000 2.599 339 L HA 0.229 4.584 4.340 0.027 0.000 0.230 339 L C 1.572 178.435 176.870 -0.012 0.000 1.141 339 L CA 0.624 55.467 54.840 0.004 0.000 0.877 339 L CB -1.091 40.973 42.059 0.008 0.000 1.009 339 L HN 0.071 nan 8.230 nan 0.000 0.447 340 G N 0.888 109.679 108.800 -0.017 0.000 2.187 340 G HA2 -0.299 3.677 3.960 0.027 0.000 0.261 340 G HA3 -0.299 3.677 3.960 0.027 0.000 0.261 340 G C 0.185 175.027 174.900 -0.098 0.000 1.000 340 G CA 0.079 45.147 45.100 -0.055 0.000 0.718 340 G HN 0.275 nan 8.290 nan 0.000 0.519 341 L N 0.239 121.434 121.223 -0.047 0.000 2.350 341 L HA 0.432 4.788 4.340 0.027 0.000 0.275 341 L C 0.726 177.600 176.870 0.006 0.000 1.099 341 L CA -0.984 53.806 54.840 -0.083 0.000 0.808 341 L CB 0.871 42.898 42.059 -0.054 0.000 1.149 341 L HN 0.087 nan 8.230 nan 0.000 0.442 342 D N 1.431 121.779 120.400 -0.087 0.000 2.368 342 D HA 0.260 4.916 4.640 0.027 0.000 0.240 342 D C -0.897 175.545 176.300 0.235 0.000 1.169 342 D CA 0.020 54.083 54.000 0.105 0.000 0.906 342 D CB 1.348 42.166 40.800 0.030 0.000 1.187 342 D HN 0.050 nan 8.370 nan 0.000 0.435 343 V N 1.687 121.848 119.914 0.412 0.000 2.483 343 V HA 0.669 4.805 4.120 0.027 0.000 0.297 343 V C -0.118 176.209 176.094 0.388 0.000 1.027 343 V CA -0.940 61.562 62.300 0.338 0.000 0.855 343 V CB 1.261 33.197 31.823 0.188 0.000 0.995 343 V HN 0.699 nan 8.190 nan 0.000 0.424 344 A N 4.639 127.658 122.820 0.331 0.000 2.303 344 A HA 0.870 5.206 4.320 0.027 0.000 0.320 344 A C -0.850 176.814 177.584 0.133 0.000 1.192 344 A CA -0.546 51.602 52.037 0.185 0.000 0.821 344 A CB 1.511 20.484 19.000 -0.046 0.000 1.188 344 A HN 0.692 nan 8.150 nan 0.000 0.492 345 V N 3.459 123.472 119.914 0.164 0.000 2.376 345 V HA 0.192 4.328 4.120 0.027 0.000 0.287 345 V C -0.006 176.148 176.094 0.101 0.000 1.015 345 V CA -0.460 61.903 62.300 0.104 0.000 0.834 345 V CB 1.150 33.033 31.823 0.100 0.000 1.001 345 V HN 1.037 nan 8.190 nan 0.000 0.428 346 H N 4.454 123.488 119.070 -0.060 0.000 3.026 346 H HA 0.532 5.104 4.556 0.026 0.000 0.289 346 H C 0.032 175.451 175.328 0.153 0.000 1.022 346 H CA 0.414 56.507 56.048 0.076 0.000 1.477 346 H CB 0.583 30.387 29.762 0.072 0.000 1.510 346 H HN 0.856 nan 8.280 nan 0.000 0.535 347 A N 6.446 129.326 122.820 0.101 0.000 2.414 347 A HA 0.327 4.663 4.320 0.027 0.000 0.286 347 A C -0.106 177.498 177.584 0.034 0.000 1.073 347 A CA -0.677 51.426 52.037 0.109 0.000 0.727 347 A CB 0.663 19.708 19.000 0.074 0.000 1.215 347 A HN 0.840 nan 8.150 nan 0.000 0.430 348 I N 1.933 122.532 120.570 0.048 0.000 3.136 348 I HA 0.159 4.345 4.170 0.027 0.000 0.262 348 I C 1.728 177.884 176.117 0.064 0.000 1.132 348 I CA 0.424 61.751 61.300 0.046 0.000 1.450 348 I CB -0.085 37.934 38.000 0.032 0.000 1.315 348 I HN 0.677 nan 8.210 nan 0.000 0.460 349 G N 1.554 110.405 108.800 0.085 0.000 2.569 349 G HA2 -0.024 3.952 3.960 0.027 0.000 0.249 349 G HA3 -0.024 3.952 3.960 0.027 0.000 0.249 349 G C 0.738 175.655 174.900 0.029 0.000 1.216 349 G CA 0.024 45.161 45.100 0.060 0.000 0.845 349 G HN 0.452 nan 8.290 nan 0.000 0.568 350 D N 0.507 120.918 120.400 0.018 0.000 2.178 350 D HA -0.176 4.480 4.640 0.027 0.000 0.201 350 D C 1.707 177.960 176.300 -0.079 0.000 0.980 350 D CA 1.081 55.038 54.000 -0.072 0.000 0.842 350 D CB -0.006 40.691 40.800 -0.172 0.000 0.948 350 D HN 0.534 nan 8.370 nan 0.000 0.472 351 K N 0.671 121.052 120.400 -0.031 0.000 2.167 351 K HA 0.046 4.382 4.320 0.027 0.000 0.203 351 K C 2.284 178.877 176.600 -0.011 0.000 1.052 351 K CA 0.837 57.108 56.287 -0.026 0.000 0.956 351 K CB -0.063 32.434 32.500 -0.004 0.000 0.735 351 K HN 0.100 nan 8.250 nan 0.000 0.451 352 A N 0.775 123.605 122.820 0.016 0.000 1.940 352 A HA -0.126 4.210 4.320 0.027 0.000 0.219 352 A C 2.169 179.755 177.584 0.003 0.000 1.176 352 A CA 1.595 53.652 52.037 0.034 0.000 0.631 352 A CB -0.655 18.398 19.000 0.088 0.000 0.814 352 A HN 0.162 nan 8.150 nan 0.000 0.446 353 V N 0.563 120.470 119.914 -0.012 0.000 2.343 353 V HA -0.255 3.881 4.120 0.027 0.000 0.247 353 V C 2.193 178.257 176.094 -0.051 0.000 1.051 353 V CA 2.295 64.578 62.300 -0.029 0.000 1.036 353 V CB -0.788 31.009 31.823 -0.044 0.000 0.654 353 V HN 0.506 nan 8.190 nan 0.000 0.451 354 D N -0.013 120.351 120.400 -0.060 0.000 2.123 354 D HA -0.142 4.514 4.640 0.027 0.000 0.196 354 D C 2.181 178.443 176.300 -0.063 0.000 0.992 354 D CA 1.369 55.333 54.000 -0.061 0.000 0.833 354 D CB -0.308 40.456 40.800 -0.060 0.000 0.954 354 D HN 0.321 nan 8.370 nan 0.000 0.455 355 V N 1.359 121.237 119.914 -0.060 0.000 2.343 355 V HA -0.239 3.897 4.120 0.027 0.000 0.247 355 V C 2.519 178.526 176.094 -0.144 0.000 1.051 355 V CA 1.834 64.090 62.300 -0.073 0.000 1.036 355 V CB -0.753 31.044 31.823 -0.043 0.000 0.654 355 V HN 0.185 nan 8.190 nan 0.000 0.451 356 A N -0.229 122.483 122.820 -0.179 0.000 1.877 356 A HA -0.141 4.195 4.320 0.027 0.000 0.216 356 A C 2.206 179.509 177.584 -0.469 0.000 1.186 356 A CA 1.756 53.559 52.037 -0.389 0.000 0.620 356 A CB -0.548 18.289 19.000 -0.271 0.000 0.822 356 A HN 0.494 nan 8.150 nan 0.000 0.443 357 L N -0.428 120.697 121.223 -0.163 0.000 2.042 357 L HA -0.218 4.138 4.340 0.027 0.000 0.210 357 L C 2.157 179.016 176.870 -0.018 0.000 1.076 357 L CA 1.525 56.356 54.840 -0.015 0.000 0.749 357 L CB -0.793 41.276 42.059 0.017 0.000 0.893 357 L HN 0.299 nan 8.230 nan 0.000 0.432 358 D N 0.276 120.641 120.400 -0.059 0.000 2.123 358 D HA -0.181 4.475 4.640 0.027 0.000 0.196 358 D C 2.223 178.499 176.300 -0.041 0.000 0.992 358 D CA 1.613 55.590 54.000 -0.037 0.000 0.833 358 D CB -0.073 40.700 40.800 -0.045 0.000 0.954 358 D HN 0.341 nan 8.370 nan 0.000 0.455 359 A N 0.232 122.974 122.820 -0.130 0.000 1.898 359 A HA -0.134 4.202 4.320 0.027 0.000 0.216 359 A C 1.959 179.549 177.584 0.010 0.000 1.181 359 A CA 0.891 52.851 52.037 -0.130 0.000 0.620 359 A CB -0.759 18.083 19.000 -0.262 0.000 0.819 359 A HN 0.098 nan 8.150 nan 0.000 0.442 360 F N 0.242 120.230 119.950 0.064 0.000 2.146 360 F HA -0.044 4.498 4.527 0.026 0.000 0.298 360 F C 2.403 178.257 175.800 0.090 0.000 1.096 360 F CA 0.897 58.966 58.000 0.115 0.000 1.275 360 F CB -0.906 38.165 39.000 0.117 0.000 1.008 360 F HN 0.313 nan 8.300 nan 0.000 0.480 361 E N 0.184 120.521 120.200 0.229 0.000 2.038 361 E HA -0.273 4.093 4.350 0.027 0.000 0.195 361 E C 2.220 178.883 176.600 0.105 0.000 1.000 361 E CA 1.571 58.051 56.400 0.133 0.000 0.803 361 E CB -0.212 29.535 29.700 0.079 0.000 0.750 361 E HN 0.522 nan 8.360 nan 0.000 0.448 362 E N 0.163 120.414 120.200 0.084 0.000 2.072 362 E HA -0.138 4.228 4.350 0.027 0.000 0.191 362 E C 1.707 178.352 176.600 0.074 0.000 0.985 362 E CA 1.020 57.455 56.400 0.059 0.000 0.801 362 E CB -0.063 29.656 29.700 0.032 0.000 0.750 362 E HN 0.172 nan 8.360 nan 0.000 0.452 363 A N 0.512 123.398 122.820 0.110 0.000 2.238 363 A HA -0.014 4.322 4.320 0.027 0.000 0.208 363 A C 0.249 177.937 177.584 0.174 0.000 1.177 363 A CA 0.683 52.793 52.037 0.123 0.000 0.804 363 A CB -0.326 18.741 19.000 0.111 0.000 0.823 363 A HN 0.435 nan 8.150 nan 0.000 0.482 364 E N -2.501 117.797 120.200 0.165 0.000 2.297 364 E HA -0.237 4.129 4.350 0.027 0.000 0.228 364 E C -0.617 176.083 176.600 0.167 0.000 1.213 364 E CA 0.610 57.089 56.400 0.131 0.000 0.712 364 E CB -1.751 27.996 29.700 0.079 0.000 1.202 364 E HN 0.623 nan 8.360 nan 0.000 0.376 365 F N 0.309 120.278 119.950 0.031 0.000 2.518 365 F HA 0.365 4.908 4.527 0.026 0.000 0.323 365 F C -0.129 175.574 175.800 -0.161 0.000 1.129 365 F CA -0.746 57.238 58.000 -0.028 0.000 0.920 365 F CB 1.945 40.971 39.000 0.043 0.000 1.160 365 F HN -0.145 nan 8.300 nan 0.000 0.440 366 S N 4.545 119.859 115.700 -0.643 0.000 2.642 366 S HA 0.541 5.027 4.470 0.027 0.000 0.309 366 S C 0.352 174.459 174.600 -0.822 0.000 1.125 366 S CA -0.138 57.708 58.200 -0.589 0.000 1.055 366 S CB -0.540 62.419 63.200 -0.402 0.000 1.157 366 S HN 0.971 nan 8.310 nan 0.000 0.513 367 G N 3.106 111.239 108.800 -1.112 0.000 2.583 367 G HA2 0.620 4.596 3.960 0.027 0.000 0.280 367 G HA3 0.620 4.596 3.960 0.027 0.000 0.280 367 G C -0.537 174.026 174.900 -0.561 0.000 1.376 367 G CA -0.942 43.617 45.100 -0.901 0.000 1.043 367 G HN 0.738 nan 8.290 nan 0.000 0.538 368 R N -1.485 118.921 120.500 -0.156 0.000 2.803 368 R HA 0.714 5.070 4.340 0.027 0.000 0.276 368 R C -1.269 175.136 176.300 0.175 0.000 0.978 368 R CA -0.872 55.219 56.100 -0.016 0.000 0.939 368 R CB 1.863 32.141 30.300 -0.036 0.000 1.179 368 R HN 0.321 nan 8.270 nan 0.000 0.472 369 I N 1.981 122.624 120.570 0.121 0.000 2.406 369 I HA 0.219 4.405 4.170 0.027 0.000 0.290 369 I C -0.284 175.822 176.117 -0.018 0.000 0.999 369 I CA -1.065 60.304 61.300 0.114 0.000 1.124 369 I CB 2.051 40.131 38.000 0.134 0.000 1.289 369 I HN 0.506 nan 8.210 nan 0.000 0.441 370 E N 6.400 126.555 120.200 -0.075 0.000 2.227 370 E HA 0.288 4.653 4.350 0.027 0.000 0.282 370 E C 0.237 176.597 176.600 -0.400 0.000 1.015 370 E CA -0.174 56.038 56.400 -0.315 0.000 0.823 370 E CB 0.747 30.259 29.700 -0.315 0.000 1.081 370 E HN 0.638 nan 8.360 nan 0.000 0.396 371 H N 1.674 120.665 119.070 -0.132 0.000 4.773 371 H HA -0.293 4.278 4.556 0.026 0.000 0.067 371 H C 0.733 176.062 175.328 0.002 0.000 0.606 371 H CA 1.385 57.387 56.048 -0.076 0.000 0.950 371 H CB -1.494 28.242 29.762 -0.044 0.000 0.425 371 H HN 0.738 nan 8.280 nan 0.000 0.800 372 A N 0.914 123.795 122.820 0.101 0.000 2.596 372 A HA -0.242 4.094 4.320 0.027 0.000 0.300 372 A C 1.723 179.353 177.584 0.077 0.000 1.495 372 A CA 1.732 53.809 52.037 0.067 0.000 0.769 372 A CB -1.740 17.284 19.000 0.040 0.000 1.047 372 A HN 0.674 nan 8.150 nan 0.000 0.436 373 S N -1.146 114.612 115.700 0.096 0.000 2.368 373 S HA 0.017 4.503 4.470 0.027 0.000 0.225 373 S C 0.851 175.358 174.600 -0.155 0.000 1.030 373 S CA 1.407 59.600 58.200 -0.011 0.000 0.999 373 S CB -0.136 63.083 63.200 0.031 0.000 0.844 373 S HN 0.707 nan 8.310 nan 0.000 0.459 374 L N 2.183 123.383 121.223 -0.038 0.000 2.298 374 L HA 0.536 4.891 4.340 0.027 0.000 0.284 374 L C -1.211 175.647 176.870 -0.019 0.000 1.013 374 L CA -0.556 54.306 54.840 0.037 0.000 0.824 374 L CB 1.563 43.711 42.059 0.149 0.000 1.221 374 L HN -0.080 nan 8.230 nan 0.000 0.418 375 V N 3.700 123.591 119.914 -0.038 0.000 2.444 375 V HA 0.435 4.571 4.120 0.027 0.000 0.294 375 V C 0.190 176.065 176.094 -0.364 0.000 1.022 375 V CA -0.724 61.476 62.300 -0.167 0.000 0.850 375 V CB 1.799 33.576 31.823 -0.075 0.000 0.992 375 V HN 0.710 nan 8.190 nan 0.000 0.426 376 R N 2.225 122.312 120.500 -0.688 0.000 2.582 376 R HA 0.226 4.582 4.340 0.027 0.000 0.271 376 R C 0.470 176.545 176.300 -0.376 0.000 1.078 376 R CA -0.695 54.832 56.100 -0.954 0.000 1.127 376 R CB 0.735 30.385 30.300 -1.084 0.000 1.038 376 R HN 0.606 nan 8.270 nan 0.000 0.500 377 D N 1.745 122.020 120.400 -0.208 0.000 2.149 377 D HA -0.211 4.445 4.640 0.027 0.000 0.194 377 D C 1.248 177.495 176.300 -0.090 0.000 1.001 377 D CA 2.020 55.976 54.000 -0.074 0.000 0.849 377 D CB -0.276 40.528 40.800 0.007 0.000 0.939 377 D HN 0.678 nan 8.370 nan 0.000 0.449 378 D N -0.357 119.971 120.400 -0.121 0.000 2.348 378 D HA -0.127 4.529 4.640 0.027 0.000 0.216 378 D C 1.514 177.751 176.300 -0.105 0.000 0.970 378 D CA 0.731 54.674 54.000 -0.096 0.000 0.889 378 D CB -0.366 40.382 40.800 -0.088 0.000 0.912 378 D HN 0.233 nan 8.370 nan 0.000 0.524 379 Q N -0.310 119.404 119.800 -0.143 0.000 2.398 379 Q HA 0.187 4.543 4.340 0.027 0.000 0.204 379 Q C 2.053 178.009 176.000 -0.074 0.000 0.932 379 Q CA 0.050 55.784 55.803 -0.116 0.000 0.916 379 Q CB 0.178 28.821 28.738 -0.158 0.000 1.024 379 Q HN 0.368 nan 8.270 nan 0.000 0.504 380 L N 0.739 121.921 121.223 -0.069 0.000 2.012 380 L HA -0.218 4.138 4.340 0.027 0.000 0.210 380 L C 2.222 179.076 176.870 -0.027 0.000 1.073 380 L CA 0.975 55.790 54.840 -0.041 0.000 0.748 380 L CB -0.423 41.617 42.059 -0.032 0.000 0.891 380 L HN 0.195 nan 8.230 nan 0.000 0.431 381 E N 0.395 120.579 120.200 -0.027 0.000 2.118 381 E HA -0.199 4.167 4.350 0.027 0.000 0.195 381 E C 2.315 178.907 176.600 -0.014 0.000 0.992 381 E CA 1.208 57.597 56.400 -0.018 0.000 0.804 381 E CB -0.170 29.519 29.700 -0.017 0.000 0.741 381 E HN 0.460 nan 8.360 nan 0.000 0.458 382 R N -0.002 120.489 120.500 -0.016 0.000 2.092 382 R HA -0.003 4.353 4.340 0.027 0.000 0.231 382 R C 2.580 178.884 176.300 0.008 0.000 1.119 382 R CA 0.915 57.013 56.100 -0.003 0.000 0.970 382 R CB -0.279 30.018 30.300 -0.005 0.000 0.864 382 R HN 0.192 nan 8.270 nan 0.000 0.440 383 I N 0.899 121.470 120.570 0.002 0.000 2.202 383 I HA -0.280 3.905 4.170 0.027 0.000 0.242 383 I C 2.638 178.752 176.117 -0.004 0.000 1.091 383 I CA 1.239 62.544 61.300 0.008 0.000 1.368 383 I CB -0.251 37.750 38.000 0.001 0.000 1.058 383 I HN 0.130 nan 8.210 nan 0.000 0.410 384 K N 1.138 121.532 120.400 -0.010 0.000 2.009 384 K HA -0.280 4.056 4.320 0.027 0.000 0.210 384 K C 2.172 178.762 176.600 -0.017 0.000 1.049 384 K CA 2.074 58.352 56.287 -0.015 0.000 0.929 384 K CB -0.176 32.316 32.500 -0.013 0.000 0.714 384 K HN 0.369 nan 8.250 nan 0.000 0.440 385 E N 0.645 120.838 120.200 -0.011 0.000 2.106 385 E HA -0.183 4.183 4.350 0.027 0.000 0.192 385 E C 1.836 178.428 176.600 -0.013 0.000 0.984 385 E CA 0.976 57.370 56.400 -0.011 0.000 0.806 385 E CB -0.069 29.628 29.700 -0.006 0.000 0.750 385 E HN 0.391 nan 8.360 nan 0.000 0.458 386 L N 0.421 121.641 121.223 -0.005 0.000 2.554 386 L HA 0.096 4.452 4.340 0.027 0.000 0.226 386 L C 0.568 177.409 176.870 -0.049 0.000 1.137 386 L CA 0.280 55.115 54.840 -0.008 0.000 0.863 386 L CB -0.137 41.946 42.059 0.039 0.000 0.985 386 L HN 0.053 nan 8.230 nan 0.000 0.451 387 K N -0.306 120.066 120.400 -0.048 0.000 3.077 387 K HA -0.157 4.179 4.320 0.027 0.000 0.264 387 K C -0.226 176.313 176.600 -0.102 0.000 1.008 387 K CA -0.047 56.197 56.287 -0.072 0.000 0.740 387 K CB -2.144 30.305 32.500 -0.086 0.000 1.273 387 K HN 0.080 nan 8.250 nan 0.000 0.477 388 V N 1.305 121.175 119.914 -0.074 0.000 2.529 388 V HA 0.001 4.137 4.120 0.027 0.000 0.292 388 V C 1.154 177.200 176.094 -0.081 0.000 1.028 388 V CA 0.178 62.425 62.300 -0.089 0.000 1.074 388 V CB 0.580 32.421 31.823 0.030 0.000 0.958 388 V HN 0.238 nan 8.190 nan 0.000 0.481 389 R N 4.474 124.904 120.500 -0.117 0.000 2.490 389 R HA 0.663 5.019 4.340 0.027 0.000 0.278 389 R C -0.674 175.583 176.300 -0.071 0.000 1.069 389 R CA -0.301 55.736 56.100 -0.106 0.000 1.080 389 R CB 0.893 31.113 30.300 -0.132 0.000 1.030 389 R HN 0.609 nan 8.270 nan 0.000 0.491 390 I N 0.430 120.954 120.570 -0.076 0.000 2.533 390 I HA 0.160 4.346 4.170 0.027 0.000 0.290 390 I C -0.467 175.595 176.117 -0.091 0.000 1.056 390 I CA -0.424 60.841 61.300 -0.059 0.000 1.057 390 I CB 2.325 40.308 38.000 -0.028 0.000 1.240 390 I HN 0.440 nan 8.210 nan 0.000 0.423 391 S N 4.751 120.383 115.700 -0.113 0.000 2.438 391 S HA 0.813 5.299 4.470 0.027 0.000 0.316 391 S C -0.447 174.045 174.600 -0.181 0.000 1.084 391 S CA -0.380 57.733 58.200 -0.145 0.000 1.107 391 S CB 0.755 63.864 63.200 -0.152 0.000 0.981 391 S HN 0.660 nan 8.310 nan 0.000 0.466 392 A N 4.149 126.894 122.820 -0.126 0.000 2.356 392 A HA 0.780 5.116 4.320 0.027 0.000 0.323 392 A C -1.134 176.235 177.584 -0.358 0.000 1.119 392 A CA -0.795 51.141 52.037 -0.168 0.000 0.790 392 A CB 1.177 20.162 19.000 -0.026 0.000 1.273 392 A HN 0.679 nan 8.150 nan 0.000 0.452 393 Q N 1.611 121.054 119.800 -0.594 0.000 2.456 393 Q HA 0.377 4.733 4.340 0.027 0.000 0.252 393 Q C -2.266 173.262 176.000 -0.786 0.000 1.042 393 Q CA -1.640 53.667 55.803 -0.827 0.000 0.766 393 Q CB 1.620 29.520 28.738 -1.397 0.000 1.196 393 Q HN 0.432 nan 8.270 nan 0.000 0.504 394 P HA -0.191 nan 4.420 nan 0.000 0.220 394 P C 0.738 177.802 177.300 -0.394 0.000 1.148 394 P CA 1.041 63.773 63.100 -0.613 0.000 0.803 394 P CB 0.264 31.497 31.700 -0.778 0.000 0.782 395 H N -1.501 117.353 119.070 -0.359 0.000 2.521 395 H HA -0.068 4.490 4.556 0.002 0.000 0.286 395 H C 1.417 176.690 175.328 -0.092 0.000 1.034 395 H CA 0.667 56.606 56.048 -0.183 0.000 1.278 395 H CB -0.172 29.530 29.762 -0.101 0.000 1.386 395 H HN 0.019 nan 8.280 nan 0.000 0.567 396 F N 0.884 120.568 119.950 -0.444 0.000 2.202 396 F HA -0.194 4.346 4.527 0.020 0.000 0.301 396 F C 2.505 177.884 175.800 -0.702 0.000 1.082 396 F CA 0.518 58.166 58.000 -0.587 0.000 1.313 396 F CB -0.872 37.632 39.000 -0.827 0.000 1.024 396 F HN 0.178 nan 8.300 nan 0.000 0.495 397 I N -0.908 119.342 120.570 -0.534 0.000 2.163 397 I HA -0.306 3.880 4.170 0.027 0.000 0.243 397 I C 2.282 178.220 176.117 -0.298 0.000 1.085 397 I CA 1.063 62.156 61.300 -0.346 0.000 1.347 397 I CB -0.695 37.160 38.000 -0.241 0.000 1.044 397 I HN -0.114 nan 8.210 nan 0.000 0.408 398 V N 0.763 120.440 119.914 -0.395 0.000 2.307 398 V HA -0.248 3.888 4.120 0.027 0.000 0.245 398 V C 2.589 178.495 176.094 -0.315 0.000 1.045 398 V CA 2.279 64.340 62.300 -0.398 0.000 1.024 398 V CB -0.813 30.623 31.823 -0.646 0.000 0.651 398 V HN 0.596 nan 8.190 nan 0.000 0.449 399 S N -0.385 115.095 115.700 -0.366 0.000 2.414 399 S HA -0.068 4.418 4.470 0.027 0.000 0.227 399 S C 0.833 175.229 174.600 -0.340 0.000 1.022 399 S CA 0.730 58.807 58.200 -0.206 0.000 0.958 399 S CB -0.292 62.837 63.200 -0.117 0.000 0.797 399 S HN 0.549 nan 8.310 nan 0.000 0.493 400 D N 2.520 122.554 120.400 -0.611 0.000 2.896 400 D HA 0.150 4.806 4.640 0.027 0.000 0.240 400 D C 0.945 176.510 176.300 -1.225 0.000 1.193 400 D CA -0.425 52.736 54.000 -1.398 0.000 0.983 400 D CB -0.538 39.525 40.800 -1.230 0.000 1.074 400 D HN 0.676 nan 8.370 nan 0.000 0.496 401 W N 0.551 121.365 121.300 -0.810 0.000 2.468 401 W HA -0.084 4.591 4.660 0.026 0.000 0.262 401 W C 0.745 177.101 176.519 -0.272 0.000 1.241 401 W CA -0.116 56.985 57.345 -0.405 0.000 1.232 401 W CB -0.947 28.386 29.460 -0.211 0.000 1.124 401 W HN 0.347 nan 8.180 nan 0.000 0.597 402 W N 0.560 121.413 121.300 -0.744 0.000 3.405 402 W HA 0.181 4.858 4.660 0.028 0.000 0.300 402 W C 1.407 177.762 176.519 -0.274 0.000 1.286 402 W CA -0.650 56.279 57.345 -0.694 0.000 1.762 402 W CB -1.157 27.581 29.460 -1.203 0.000 1.087 402 W HN -0.194 nan 8.180 nan 0.000 0.703 403 I N 1.574 122.102 120.570 -0.071 0.000 2.118 403 I HA -0.293 3.893 4.170 0.027 0.000 0.241 403 I C 2.377 178.543 176.117 0.082 0.000 1.070 403 I CA 1.505 62.841 61.300 0.060 0.000 1.327 403 I CB -1.187 36.768 38.000 -0.076 0.000 1.034 403 I HN -0.099 nan 8.210 nan 0.000 0.405 404 V N 1.489 121.434 119.914 0.051 0.000 2.392 404 V HA -0.273 3.863 4.120 0.027 0.000 0.249 404 V C 2.201 178.334 176.094 0.065 0.000 1.059 404 V CA 1.768 64.093 62.300 0.041 0.000 1.051 404 V CB -0.911 30.938 31.823 0.044 0.000 0.658 404 V HN 0.438 nan 8.190 nan 0.000 0.455 405 N N 0.250 119.016 118.700 0.111 0.000 2.104 405 N HA -0.144 4.612 4.740 0.027 0.000 0.190 405 N C 1.937 177.505 175.510 0.096 0.000 1.024 405 N CA 1.196 54.309 53.050 0.106 0.000 0.853 405 N CB -0.360 38.203 38.487 0.125 0.000 1.008 405 N HN 0.389 nan 8.380 nan 0.000 0.424 406 R N 0.348 120.931 120.500 0.139 0.000 2.073 406 R HA 0.019 4.375 4.340 0.027 0.000 0.229 406 R C 1.864 178.244 176.300 0.132 0.000 1.120 406 R CA 1.037 57.257 56.100 0.200 0.000 0.967 406 R CB -0.526 29.947 30.300 0.289 0.000 0.862 406 R HN 0.379 nan 8.270 nan 0.000 0.436 407 V N -4.332 115.598 119.914 0.027 0.000 3.502 407 V HA 0.468 4.604 4.120 0.027 0.000 0.288 407 V C 0.624 176.641 176.094 -0.127 0.000 1.461 407 V CA 0.338 62.582 62.300 -0.093 0.000 1.029 407 V CB 0.323 32.062 31.823 -0.139 0.000 0.843 407 V HN 0.404 nan 8.190 nan 0.000 0.438 408 G N 1.130 109.887 108.800 -0.073 0.000 2.746 408 G HA2 -0.169 3.807 3.960 0.027 0.000 0.685 408 G HA3 -0.169 3.807 3.960 0.027 0.000 0.685 408 G C 0.072 174.902 174.900 -0.117 0.000 1.350 408 G CA 0.169 45.219 45.100 -0.083 0.000 0.837 408 G HN 0.394 nan 8.290 nan 0.000 0.564 409 E N 0.122 120.267 120.200 -0.092 0.000 2.118 409 E HA -0.153 4.213 4.350 0.027 0.000 0.195 409 E C 2.136 178.642 176.600 -0.157 0.000 0.992 409 E CA 1.505 57.850 56.400 -0.092 0.000 0.804 409 E CB 0.008 29.675 29.700 -0.055 0.000 0.741 409 E HN 0.560 nan 8.360 nan 0.000 0.458 410 E N 0.775 120.851 120.200 -0.208 0.000 2.046 410 E HA -0.097 4.269 4.350 0.027 0.000 0.190 410 E C 2.046 178.306 176.600 -0.567 0.000 0.982 410 E CA 0.833 57.058 56.400 -0.291 0.000 0.800 410 E CB -0.158 29.395 29.700 -0.245 0.000 0.756 410 E HN 0.231 nan 8.360 nan 0.000 0.449 411 R N 0.498 120.574 120.500 -0.706 0.000 2.236 411 R HA 0.118 4.474 4.340 0.027 0.000 0.208 411 R C 2.132 178.040 176.300 -0.653 0.000 1.036 411 R CA 0.676 56.062 56.100 -1.190 0.000 1.001 411 R CB -0.121 29.601 30.300 -0.964 0.000 0.896 411 R HN 0.047 nan 8.270 nan 0.000 0.464 412 A N 1.656 124.263 122.820 -0.354 0.000 2.070 412 A HA -0.159 4.177 4.320 0.027 0.000 0.220 412 A C 1.709 179.223 177.584 -0.116 0.000 1.159 412 A CA 1.138 53.072 52.037 -0.172 0.000 0.656 412 A CB -0.163 18.778 19.000 -0.099 0.000 0.800 412 A HN 0.194 nan 8.150 nan 0.000 0.453 413 K N -1.084 119.212 120.400 -0.172 0.000 2.280 413 K HA -0.153 4.183 4.320 0.027 0.000 0.202 413 K C 1.211 177.886 176.600 0.124 0.000 1.047 413 K CA 1.119 57.380 56.287 -0.042 0.000 0.942 413 K CB -0.138 32.329 32.500 -0.054 0.000 0.739 413 K HN 0.728 nan 8.250 nan 0.000 0.457 414 W N 0.836 122.108 121.300 -0.047 0.000 2.905 414 W HA 0.205 4.881 4.660 0.026 0.000 0.251 414 W C 0.617 177.076 176.519 -0.100 0.000 1.305 414 W CA -0.821 56.487 57.345 -0.061 0.000 1.465 414 W CB -0.687 28.730 29.460 -0.070 0.000 1.122 414 W HN -0.117 nan 8.180 nan 0.000 0.659 415 A N -0.197 122.656 122.820 0.055 0.000 2.366 415 A HA 0.377 4.713 4.320 0.027 0.000 0.272 415 A C -0.674 176.858 177.584 -0.087 0.000 1.135 415 A CA -0.359 51.566 52.037 -0.186 0.000 0.804 415 A CB -0.424 18.398 19.000 -0.298 0.000 1.064 415 A HN 0.278 nan 8.150 nan 0.000 0.499 416 Y N 0.002 120.352 120.300 0.083 0.000 3.027 416 Y HA -0.204 4.364 4.550 0.031 0.000 0.195 416 Y C 0.849 176.783 175.900 0.056 0.000 1.381 416 Y CA 0.957 59.088 58.100 0.052 0.000 1.015 416 Y CB -1.928 36.547 38.460 0.025 0.000 1.329 416 Y HN 0.748 nan 8.280 nan 0.000 0.462 417 R N 1.090 121.688 120.500 0.163 0.000 4.556 417 R HA 0.232 4.588 4.340 0.027 0.000 0.197 417 R C 1.233 177.605 176.300 0.120 0.000 1.791 417 R CA -0.255 55.920 56.100 0.125 0.000 1.526 417 R CB -0.122 30.233 30.300 0.092 0.000 1.410 417 R HN 0.541 nan 8.270 nan 0.000 0.826 418 L N 0.471 121.780 121.223 0.143 0.000 2.012 418 L HA -0.250 4.106 4.340 0.027 0.000 0.210 418 L C 2.404 179.353 176.870 0.132 0.000 1.073 418 L CA 1.389 56.327 54.840 0.162 0.000 0.748 418 L CB -0.470 41.707 42.059 0.197 0.000 0.891 418 L HN 0.252 nan 8.230 nan 0.000 0.431 419 K N 0.231 120.697 120.400 0.110 0.000 2.025 419 K HA -0.120 4.216 4.320 0.027 0.000 0.207 419 K C 1.980 178.614 176.600 0.057 0.000 1.049 419 K CA 2.002 58.337 56.287 0.080 0.000 0.933 419 K CB -0.494 32.047 32.500 0.069 0.000 0.714 419 K HN 0.115 nan 8.250 nan 0.000 0.438 420 T N 1.498 116.086 114.554 0.056 0.000 2.674 420 T HA -0.072 4.294 4.350 0.027 0.000 0.265 420 T C 1.753 176.472 174.700 0.032 0.000 1.039 420 T CA 1.665 63.788 62.100 0.040 0.000 1.150 420 T CB -0.292 68.601 68.868 0.041 0.000 0.864 420 T HN 0.125 nan 8.240 nan 0.000 0.427 421 L N 1.654 122.902 121.223 0.040 0.000 2.042 421 L HA -0.141 4.215 4.340 0.027 0.000 0.210 421 L C 2.905 179.784 176.870 0.015 0.000 1.076 421 L CA 1.608 56.464 54.840 0.028 0.000 0.749 421 L CB -0.869 41.213 42.059 0.039 0.000 0.893 421 L HN 0.392 nan 8.230 nan 0.000 0.432 422 S N -0.978 114.735 115.700 0.023 0.000 2.447 422 S HA -0.137 4.349 4.470 0.027 0.000 0.233 422 S C 2.036 176.640 174.600 0.006 0.000 1.006 422 S CA 0.956 59.157 58.200 0.002 0.000 0.957 422 S CB -0.446 62.753 63.200 -0.001 0.000 0.773 422 S HN 0.538 nan 8.310 nan 0.000 0.507 423 S N 1.968 117.675 115.700 0.012 0.000 2.496 423 S HA 0.149 4.635 4.470 0.027 0.000 0.224 423 S C 1.715 176.315 174.600 0.001 0.000 0.996 423 S CA 0.328 58.533 58.200 0.007 0.000 0.927 423 S CB -0.807 62.400 63.200 0.011 0.000 0.774 423 S HN 0.864 nan 8.310 nan 0.000 0.524 424 I N -2.582 117.987 120.570 -0.002 0.000 4.187 424 I HA 0.432 4.617 4.170 0.027 0.000 0.326 424 I C 0.565 176.673 176.117 -0.015 0.000 1.302 424 I CA -0.172 61.124 61.300 -0.007 0.000 1.196 424 I CB 0.846 38.842 38.000 -0.006 0.000 1.095 424 I HN 0.223 nan 8.210 nan 0.000 0.411 425 T N 0.461 115.003 114.554 -0.019 0.000 2.731 425 T HA 0.356 4.722 4.350 0.027 0.000 0.300 425 T C -1.434 173.240 174.700 -0.043 0.000 1.283 425 T CA -0.741 61.339 62.100 -0.033 0.000 1.005 425 T CB 1.691 70.538 68.868 -0.035 0.000 1.420 425 T HN 0.119 nan 8.240 nan 0.000 0.503 426 K N 1.607 121.968 120.400 -0.066 0.000 2.349 426 K HA 0.559 4.895 4.320 0.027 0.000 0.288 426 K C -0.663 175.868 176.600 -0.114 0.000 1.058 426 K CA -0.190 56.040 56.287 -0.095 0.000 0.953 426 K CB 0.635 33.061 32.500 -0.124 0.000 0.997 426 K HN 0.382 nan 8.250 nan 0.000 0.477 427 L N 1.428 122.568 121.223 -0.138 0.000 2.370 427 L HA 0.716 5.072 4.340 0.027 0.000 0.266 427 L C -0.601 176.117 176.870 -0.252 0.000 1.002 427 L CA -0.304 54.446 54.840 -0.149 0.000 0.818 427 L CB 2.037 44.043 42.059 -0.089 0.000 1.325 427 L HN 0.685 nan 8.230 nan 0.000 0.418 428 G N 1.831 110.497 108.800 -0.222 0.000 2.619 428 G HA2 0.606 4.582 3.960 0.027 0.000 0.296 428 G HA3 0.606 4.582 3.960 0.027 0.000 0.296 428 G C -1.815 173.022 174.900 -0.105 0.000 1.334 428 G CA -0.425 44.502 45.100 -0.288 0.000 0.934 428 G HN 0.252 nan 8.290 nan 0.000 0.476 429 F N 1.054 120.764 119.950 -0.399 0.000 2.425 429 F HA 0.800 5.346 4.527 0.033 0.000 0.331 429 F C 0.891 176.305 175.800 -0.644 0.000 1.085 429 F CA -1.502 56.135 58.000 -0.605 0.000 1.028 429 F CB 1.928 40.367 39.000 -0.936 0.000 1.177 429 F HN 0.610 nan 8.300 nan 0.000 0.487 430 S N -0.955 114.519 115.700 -0.376 0.000 2.656 430 S HA 0.533 5.019 4.470 0.027 0.000 0.273 430 S C 0.025 174.467 174.600 -0.262 0.000 1.168 430 S CA -0.076 57.977 58.200 -0.244 0.000 0.817 430 S CB 1.862 64.996 63.200 -0.109 0.000 1.146 430 S HN 0.581 nan 8.310 nan 0.000 0.475 431 T N -3.255 111.238 114.554 -0.102 0.000 2.969 431 T HA 0.250 4.616 4.350 0.027 0.000 0.250 431 T C 0.349 175.057 174.700 0.013 0.000 1.021 431 T CA 0.906 62.965 62.100 -0.068 0.000 1.003 431 T CB -0.516 68.354 68.868 0.004 0.000 1.040 431 T HN 0.832 nan 8.240 nan 0.000 0.492 432 D N 1.361 121.815 120.400 0.091 0.000 2.870 432 D HA -0.163 4.493 4.640 0.027 0.000 0.228 432 D C -0.024 176.449 176.300 0.288 0.000 1.147 432 D CA 0.747 54.922 54.000 0.292 0.000 0.757 432 D CB -1.757 39.250 40.800 0.346 0.000 1.091 432 D HN 0.581 nan 8.370 nan 0.000 0.429 433 S N 0.099 115.905 115.700 0.177 0.000 2.552 433 S HA 0.216 4.702 4.470 0.027 0.000 0.289 433 S C -1.466 173.216 174.600 0.137 0.000 1.304 433 S CA -0.295 57.971 58.200 0.109 0.000 1.063 433 S CB 1.120 64.359 63.200 0.066 0.000 0.848 433 S HN 0.149 nan 8.310 nan 0.000 0.499 434 P HA 0.171 nan 4.420 nan 0.000 0.258 434 P C 1.148 178.404 177.300 -0.073 0.000 1.416 434 P CA -0.233 62.833 63.100 -0.057 0.000 0.927 434 P CB 0.007 31.611 31.700 -0.160 0.000 1.444 435 I N -0.280 120.295 120.570 0.007 0.000 2.142 435 I HA -0.105 4.081 4.170 0.027 0.000 0.240 435 I C 1.238 177.389 176.117 0.057 0.000 1.078 435 I CA 1.579 62.886 61.300 0.010 0.000 1.343 435 I CB -0.946 37.124 38.000 0.116 0.000 1.046 435 I HN 0.109 nan 8.210 nan 0.000 0.405 436 E N 0.230 120.503 120.200 0.121 0.000 2.243 436 E HA 0.388 4.753 4.350 0.027 0.000 0.260 436 E C -2.217 174.382 176.600 -0.003 0.000 0.985 436 E CA -2.400 54.065 56.400 0.108 0.000 0.858 436 E CB 0.149 29.963 29.700 0.190 0.000 1.210 436 E HN -0.033 nan 8.360 nan 0.000 0.411 437 P HA 0.023 nan 4.420 nan 0.000 0.266 437 P C -0.080 177.178 177.300 -0.070 0.000 1.195 437 P CA 0.278 63.316 63.100 -0.103 0.000 0.768 437 P CB 0.520 32.091 31.700 -0.216 0.000 0.838 438 A N 1.992 124.819 122.820 0.012 0.000 2.169 438 A HA -0.035 4.301 4.320 0.027 0.000 0.212 438 A C 0.894 178.421 177.584 -0.094 0.000 1.153 438 A CA 0.522 52.565 52.037 0.010 0.000 0.756 438 A CB -0.742 18.327 19.000 0.116 0.000 0.813 438 A HN 0.503 nan 8.150 nan 0.000 0.471 439 D N 0.291 120.619 120.400 -0.119 0.000 2.363 439 D HA 0.172 4.828 4.640 0.027 0.000 0.263 439 D C -1.621 174.495 176.300 -0.306 0.000 1.258 439 D CA -1.885 52.002 54.000 -0.188 0.000 0.907 439 D CB 1.043 41.791 40.800 -0.086 0.000 1.107 439 D HN 0.063 nan 8.370 nan 0.000 0.495 440 P HA -0.069 nan 4.420 nan 0.000 0.218 440 P C 1.080 177.909 177.300 -0.785 0.000 1.149 440 P CA 0.979 63.433 63.100 -1.077 0.000 0.817 440 P CB -0.009 30.137 31.700 -2.590 0.000 0.785 441 W N -0.751 120.286 121.300 -0.437 0.000 2.374 441 W HA -0.107 4.563 4.660 0.017 0.000 0.288 441 W C 2.065 178.510 176.519 -0.123 0.000 1.218 441 W CA 0.287 57.504 57.345 -0.213 0.000 1.245 441 W CB -1.241 28.136 29.460 -0.138 0.000 1.126 441 W HN -0.231 nan 8.180 nan 0.000 0.545 442 V N -0.734 119.204 119.914 0.039 0.000 2.453 442 V HA -0.228 3.908 4.120 0.027 0.000 0.247 442 V C 2.076 178.184 176.094 0.024 0.000 1.048 442 V CA 2.031 64.337 62.300 0.010 0.000 1.049 442 V CB -0.785 30.979 31.823 -0.099 0.000 0.672 442 V HN 0.059 nan 8.190 nan 0.000 0.457 443 S N -0.317 115.367 115.700 -0.026 0.000 2.414 443 S HA 0.032 4.518 4.470 0.027 0.000 0.227 443 S C 1.874 176.464 174.600 -0.016 0.000 1.022 443 S CA 1.001 59.193 58.200 -0.014 0.000 0.958 443 S CB -0.189 62.988 63.200 -0.038 0.000 0.797 443 S HN 0.471 nan 8.310 nan 0.000 0.493 444 I N 1.777 122.384 120.570 0.062 0.000 2.226 444 I HA -0.208 3.978 4.170 0.027 0.000 0.245 444 I C 2.018 178.199 176.117 0.106 0.000 1.100 444 I CA 1.146 62.523 61.300 0.128 0.000 1.374 444 I CB -0.322 37.761 38.000 0.139 0.000 1.057 444 I HN 0.156 nan 8.210 nan 0.000 0.413 445 D N 0.953 121.416 120.400 0.105 0.000 2.123 445 D HA -0.175 4.481 4.640 0.027 0.000 0.196 445 D C 2.244 178.571 176.300 0.044 0.000 0.992 445 D CA 1.599 55.648 54.000 0.083 0.000 0.833 445 D CB -0.194 40.655 40.800 0.083 0.000 0.954 445 D HN 0.367 nan 8.370 nan 0.000 0.455 446 A N 0.982 123.816 122.820 0.024 0.000 1.877 446 A HA -0.070 4.266 4.320 0.027 0.000 0.216 446 A C 2.310 179.860 177.584 -0.057 0.000 1.186 446 A CA 2.310 54.325 52.037 -0.038 0.000 0.620 446 A CB -0.704 18.258 19.000 -0.064 0.000 0.822 446 A HN 0.245 nan 8.150 nan 0.000 0.443 447 A N -0.914 121.865 122.820 -0.068 0.000 2.015 447 A HA 0.117 4.453 4.320 0.027 0.000 0.219 447 A C 2.134 179.763 177.584 0.074 0.000 1.163 447 A CA 1.695 53.711 52.037 -0.034 0.000 0.646 447 A CB -0.520 18.455 19.000 -0.041 0.000 0.806 447 A HN 0.373 nan 8.150 nan 0.000 0.448 448 V N 0.242 120.204 119.914 0.080 0.000 2.500 448 V HA -0.079 4.057 4.120 0.027 0.000 0.243 448 V C 1.796 177.941 176.094 0.086 0.000 1.039 448 V CA 1.711 64.066 62.300 0.091 0.000 1.053 448 V CB -0.557 31.319 31.823 0.088 0.000 0.695 448 V HN 0.542 nan 8.190 nan 0.000 0.463 449 N N -0.717 118.022 118.700 0.065 0.000 2.368 449 N HA 0.112 4.868 4.740 0.027 0.000 0.178 449 N C 0.774 176.314 175.510 0.049 0.000 1.076 449 N CA 0.242 53.329 53.050 0.062 0.000 0.889 449 N CB 0.440 38.946 38.487 0.032 0.000 1.040 449 N HN 0.284 nan 8.380 nan 0.000 0.463 450 R N 0.681 121.181 120.500 0.000 0.000 2.787 450 R HA 0.424 4.780 4.340 0.027 0.000 0.271 450 R C -0.758 175.529 176.300 -0.021 0.000 0.993 450 R CA -0.588 55.429 56.100 -0.139 0.000 0.993 450 R CB 1.138 31.333 30.300 -0.176 0.000 1.155 450 R HN 0.085 nan 8.270 nan 0.000 0.486 451 Y N -3.629 116.671 120.300 -0.000 0.000 2.609 451 Y HA 0.361 4.932 4.550 0.036 0.000 0.336 451 Y C 0.434 176.352 175.900 0.029 0.000 1.129 451 Y CA -1.176 56.938 58.100 0.023 0.000 1.040 451 Y CB 0.192 38.669 38.460 0.027 0.000 1.310 451 Y HN 0.092 nan 8.280 nan 0.000 0.460 452 V N 0.885 120.938 119.914 0.230 0.000 2.239 452 V HA -0.141 3.995 4.120 0.027 0.000 0.242 452 V C 1.474 177.695 176.094 0.211 0.000 1.038 452 V CA 2.606 64.999 62.300 0.154 0.000 1.002 452 V CB -0.313 31.596 31.823 0.142 0.000 0.641 452 V HN 0.929 nan 8.190 nan 0.000 0.449 453 V N -3.656 116.410 119.914 0.253 0.000 3.368 453 V HA 0.407 4.543 4.120 0.027 0.000 0.255 453 V C 0.253 176.415 176.094 0.114 0.000 1.466 453 V CA 0.242 62.668 62.300 0.210 0.000 1.095 453 V CB 0.598 32.468 31.823 0.079 0.000 0.899 453 V HN 0.433 nan 8.190 nan 0.000 0.440 454 D N 2.100 122.535 120.400 0.059 0.000 2.427 454 D HA 0.458 5.114 4.640 0.027 0.000 0.226 454 D C -1.909 174.228 176.300 -0.272 0.000 1.076 454 D CA -2.251 51.689 54.000 -0.101 0.000 0.849 454 D CB 2.118 42.906 40.800 -0.020 0.000 1.052 454 D HN 0.097 nan 8.370 nan 0.000 0.515 455 P HA 0.026 nan 4.420 nan 0.000 0.222 455 P C 1.349 178.518 177.300 -0.219 0.000 1.147 455 P CA 0.571 63.238 63.100 -0.722 0.000 0.790 455 P CB 0.278 31.540 31.700 -0.730 0.000 0.780 456 G N 0.110 108.825 108.800 -0.143 0.000 2.527 456 G HA2 -0.209 3.767 3.960 0.027 0.000 0.219 456 G HA3 -0.209 3.767 3.960 0.027 0.000 0.219 456 G C 1.317 176.219 174.900 0.003 0.000 1.117 456 G CA 0.475 45.546 45.100 -0.049 0.000 0.759 456 G HN 0.231 nan 8.290 nan 0.000 0.556 457 E N 0.123 120.338 120.200 0.025 0.000 2.479 457 E HA 0.080 4.446 4.350 0.027 0.000 0.193 457 E C 1.034 177.697 176.600 0.106 0.000 1.049 457 E CA -0.165 56.281 56.400 0.077 0.000 0.870 457 E CB 0.273 30.037 29.700 0.105 0.000 0.944 457 E HN 0.423 nan 8.360 nan 0.000 0.492 458 R N 0.651 121.213 120.500 0.103 0.000 2.643 458 R HA 0.171 4.526 4.340 0.027 0.000 0.270 458 R C 0.463 176.824 176.300 0.101 0.000 1.061 458 R CA -0.124 56.047 56.100 0.119 0.000 1.107 458 R CB 0.840 31.216 30.300 0.126 0.000 0.999 458 R HN -0.118 nan 8.270 nan 0.000 0.460 459 V N -0.988 118.998 119.914 0.120 0.000 2.994 459 V HA 0.530 4.666 4.120 0.027 0.000 0.318 459 V C 0.324 176.475 176.094 0.094 0.000 1.085 459 V CA -1.070 61.297 62.300 0.111 0.000 0.998 459 V CB 1.809 33.722 31.823 0.150 0.000 1.063 459 V HN 0.910 nan 8.190 nan 0.000 0.447 460 S N 1.871 117.614 115.700 0.071 0.000 2.600 460 S HA 0.304 4.790 4.470 0.027 0.000 0.265 460 S C 1.015 175.648 174.600 0.056 0.000 1.325 460 S CA 0.286 58.521 58.200 0.057 0.000 1.002 460 S CB 0.819 64.044 63.200 0.043 0.000 0.921 460 S HN 0.940 nan 8.310 nan 0.000 0.554 461 R N 1.010 121.534 120.500 0.041 0.000 2.091 461 R HA -0.128 4.228 4.340 0.027 0.000 0.238 461 R C 2.244 178.518 176.300 -0.044 0.000 1.136 461 R CA 1.929 58.042 56.100 0.021 0.000 0.959 461 R CB -0.359 29.951 30.300 0.016 0.000 0.856 461 R HN 0.892 nan 8.270 nan 0.000 0.437 462 E N 0.513 120.698 120.200 -0.025 0.000 2.077 462 E HA -0.233 4.133 4.350 0.027 0.000 0.193 462 E C 1.613 178.212 176.600 -0.001 0.000 0.989 462 E CA 1.431 57.816 56.400 -0.026 0.000 0.800 462 E CB -0.352 29.396 29.700 0.080 0.000 0.746 462 E HN 0.553 nan 8.360 nan 0.000 0.452 463 E N 1.270 121.488 120.200 0.030 0.000 2.072 463 E HA -0.086 4.279 4.350 0.027 0.000 0.191 463 E C 2.177 178.777 176.600 0.000 0.000 0.985 463 E CA 1.126 57.556 56.400 0.050 0.000 0.801 463 E CB -0.181 29.547 29.700 0.046 0.000 0.750 463 E HN 0.358 nan 8.360 nan 0.000 0.452 464 A N 1.086 123.922 122.820 0.027 0.000 1.902 464 A HA -0.175 4.160 4.320 0.027 0.000 0.217 464 A C 2.181 179.772 177.584 0.012 0.000 1.181 464 A CA 1.148 53.250 52.037 0.108 0.000 0.623 464 A CB -0.624 18.538 19.000 0.271 0.000 0.818 464 A HN 0.128 nan 8.150 nan 0.000 0.443 465 L N -1.642 119.498 121.223 -0.139 0.000 2.056 465 L HA -0.182 4.174 4.340 0.027 0.000 0.207 465 L C 2.624 179.388 176.870 -0.175 0.000 1.078 465 L CA 1.679 56.304 54.840 -0.359 0.000 0.749 465 L CB -0.703 40.660 42.059 -1.160 0.000 0.901 465 L HN 0.659 nan 8.230 nan 0.000 0.433 466 H N 0.638 119.636 119.070 -0.121 0.000 2.289 466 H HA -0.205 4.367 4.556 0.027 0.000 0.296 466 H C 2.103 177.388 175.328 -0.073 0.000 1.091 466 H CA 1.960 58.032 56.048 0.039 0.000 1.274 466 H CB -0.266 29.523 29.762 0.045 0.000 1.364 466 H HN 0.157 nan 8.280 nan 0.000 0.490 467 L N -1.111 119.820 121.223 -0.485 0.000 2.131 467 L HA -0.198 4.158 4.340 0.027 0.000 0.210 467 L C 1.836 178.374 176.870 -0.553 0.000 1.092 467 L CA 1.353 55.716 54.840 -0.794 0.000 0.759 467 L CB -0.444 40.761 42.059 -1.423 0.000 0.903 467 L HN 0.371 nan 8.230 nan 0.000 0.435 468 Y N -0.119 119.990 120.300 -0.318 0.000 2.490 468 Y HA -0.092 4.472 4.550 0.023 0.000 0.281 468 Y C 2.080 178.025 175.900 0.076 0.000 1.174 468 Y CA 0.485 58.591 58.100 0.010 0.000 1.295 468 Y CB 0.308 38.897 38.460 0.215 0.000 1.062 468 Y HN 0.314 nan 8.280 nan 0.000 0.522 469 T N -4.791 109.834 114.554 0.118 0.000 3.409 469 T HA -0.033 4.333 4.350 0.027 0.000 0.188 469 T C 1.577 176.304 174.700 0.046 0.000 0.929 469 T CA 0.229 62.404 62.100 0.125 0.000 1.184 469 T CB -0.576 68.358 68.868 0.111 0.000 1.570 469 T HN 0.259 nan 8.240 nan 0.000 0.367 470 H N 1.246 120.245 119.070 -0.119 0.000 2.423 470 H HA 0.084 4.656 4.556 0.026 0.000 0.297 470 H C 2.296 177.431 175.328 -0.322 0.000 1.075 470 H CA 1.250 57.215 56.048 -0.138 0.000 1.342 470 H CB -0.536 29.235 29.762 0.015 0.000 1.395 470 H HN 0.563 nan 8.280 nan 0.000 0.530 471 G N -0.080 108.359 108.800 -0.603 0.000 2.433 471 G HA2 -0.268 3.708 3.960 0.027 0.000 0.216 471 G HA3 -0.268 3.708 3.960 0.027 0.000 0.216 471 G C 1.960 176.553 174.900 -0.512 0.000 1.186 471 G CA 0.871 45.601 45.100 -0.617 0.000 0.779 471 G HN 0.333 nan 8.290 nan 0.000 0.543 472 S N 0.997 116.405 115.700 -0.487 0.000 2.370 472 S HA -0.099 4.387 4.470 0.027 0.000 0.226 472 S C 2.793 176.755 174.600 -1.064 0.000 1.033 472 S CA 1.419 59.261 58.200 -0.598 0.000 1.011 472 S CB -0.469 62.497 63.200 -0.390 0.000 0.852 472 S HN 0.622 nan 8.310 nan 0.000 0.457 473 A N 1.278 123.425 122.820 -1.122 0.000 1.883 473 A HA -0.192 4.144 4.320 0.027 0.000 0.217 473 A C 2.117 179.347 177.584 -0.591 0.000 1.186 473 A CA 1.466 52.894 52.037 -1.016 0.000 0.624 473 A CB -0.638 18.187 19.000 -0.292 0.000 0.822 473 A HN 0.538 nan 8.150 nan 0.000 0.444 474 Q N -0.653 118.828 119.800 -0.532 0.000 2.124 474 Q HA -0.098 4.258 4.340 0.027 0.000 0.202 474 Q C 2.134 177.959 176.000 -0.291 0.000 0.977 474 Q CA 1.519 57.094 55.803 -0.380 0.000 0.850 474 Q CB -0.304 28.184 28.738 -0.418 0.000 0.901 474 Q HN 0.502 nan 8.270 nan 0.000 0.429 475 V N 0.568 120.279 119.914 -0.338 0.000 2.626 475 V HA -0.147 3.989 4.120 0.027 0.000 0.252 475 V C 1.570 177.554 176.094 -0.184 0.000 1.067 475 V CA 1.777 63.928 62.300 -0.250 0.000 1.081 475 V CB -0.204 31.462 31.823 -0.260 0.000 0.686 475 V HN 0.351 nan 8.190 nan 0.000 0.468 476 T N 0.209 114.605 114.554 -0.262 0.000 3.206 476 T HA 0.326 4.692 4.350 0.027 0.000 0.253 476 T C 0.795 175.552 174.700 0.094 0.000 1.042 476 T CA -0.214 61.831 62.100 -0.092 0.000 0.931 476 T CB -0.190 68.502 68.868 -0.294 0.000 1.029 476 T HN 0.295 nan 8.240 nan 0.000 0.564 477 L N 0.058 121.300 121.223 0.032 0.000 3.737 477 L HA -0.221 4.135 4.340 0.027 0.000 0.418 477 L C 0.460 177.485 176.870 0.257 0.000 1.216 477 L CA 0.074 54.991 54.840 0.127 0.000 0.915 477 L CB -2.008 40.122 42.059 0.118 0.000 1.834 477 L HN 0.396 nan 8.230 nan 0.000 0.943 478 A N -0.173 122.675 122.820 0.047 0.000 2.644 478 A HA 0.544 4.879 4.320 0.027 0.000 0.343 478 A C 1.251 178.900 177.584 0.108 0.000 1.324 478 A CA -0.584 51.502 52.037 0.081 0.000 0.846 478 A CB 0.374 19.289 19.000 -0.140 0.000 1.128 478 A HN 0.273 nan 8.150 nan 0.000 0.484 479 E N 1.105 121.373 120.200 0.114 0.000 2.347 479 E HA -0.119 4.247 4.350 0.027 0.000 0.196 479 E C 0.180 176.755 176.600 -0.041 0.000 1.008 479 E CA 0.991 57.430 56.400 0.065 0.000 0.852 479 E CB 0.158 29.875 29.700 0.028 0.000 0.783 479 E HN 0.885 nan 8.360 nan 0.000 0.505 480 D N -0.195 120.170 120.400 -0.058 0.000 2.427 480 D HA 0.089 4.745 4.640 0.027 0.000 0.224 480 D C 0.380 176.760 176.300 0.134 0.000 1.157 480 D CA -0.134 53.692 54.000 -0.290 0.000 0.828 480 D CB -0.157 40.531 40.800 -0.187 0.000 0.974 480 D HN 0.030 nan 8.370 nan 0.000 0.498 481 L N -1.221 120.237 121.223 0.391 0.000 2.323 481 L HA 0.653 5.009 4.340 0.027 0.000 0.265 481 L C 1.290 178.528 176.870 0.613 0.000 1.012 481 L CA -0.350 54.809 54.840 0.532 0.000 0.820 481 L CB 2.287 44.649 42.059 0.506 0.000 1.334 481 L HN 0.138 nan 8.230 nan 0.000 0.427 482 G N 0.754 109.815 108.800 0.436 0.000 2.218 482 G HA2 -0.179 3.797 3.960 0.027 0.000 0.216 482 G HA3 -0.179 3.797 3.960 0.027 0.000 0.216 482 G C 0.001 174.926 174.900 0.041 0.000 0.994 482 G CA -0.309 44.969 45.100 0.297 0.000 0.637 482 G HN 0.470 nan 8.290 nan 0.000 0.505 483 K N -0.772 119.473 120.400 -0.257 0.000 2.444 483 K HA 0.754 5.090 4.320 0.027 0.000 0.252 483 K C -0.113 176.169 176.600 -0.531 0.000 0.993 483 K CA -0.950 54.944 56.287 -0.655 0.000 0.847 483 K CB 1.795 33.477 32.500 -1.363 0.000 1.340 483 K HN 0.024 nan 8.250 nan 0.000 0.446 484 L N 1.923 122.903 121.223 -0.405 0.000 3.154 484 L HA 0.189 4.545 4.340 0.027 0.000 0.266 484 L C 0.025 176.774 176.870 -0.203 0.000 1.300 484 L CA -0.196 54.523 54.840 -0.202 0.000 1.028 484 L CB 0.185 42.174 42.059 -0.118 0.000 1.412 484 L HN 0.432 nan 8.230 nan 0.000 0.564 485 E N 1.018 121.032 120.200 -0.310 0.000 2.369 485 E HA 0.161 4.527 4.350 0.027 0.000 0.255 485 E C 0.142 176.809 176.600 0.111 0.000 1.172 485 E CA -0.763 55.566 56.400 -0.120 0.000 0.932 485 E CB 1.109 30.734 29.700 -0.125 0.000 1.040 485 E HN 0.137 nan 8.360 nan 0.000 0.454 486 R N 0.082 120.630 120.500 0.081 0.000 2.537 486 R HA -0.029 4.327 4.340 0.027 0.000 0.281 486 R C 0.794 177.204 176.300 0.182 0.000 0.988 486 R CA 1.451 57.617 56.100 0.109 0.000 1.077 486 R CB -0.320 30.018 30.300 0.063 0.000 0.932 486 R HN 0.842 nan 8.270 nan 0.000 0.409 487 G N 3.684 112.569 108.800 0.141 0.000 2.258 487 G HA2 -0.288 3.688 3.960 0.027 0.000 0.233 487 G HA3 -0.288 3.688 3.960 0.027 0.000 0.233 487 G C -0.020 174.901 174.900 0.035 0.000 1.006 487 G CA -0.070 45.070 45.100 0.067 0.000 0.620 487 G HN 0.540 nan 8.290 nan 0.000 0.511 488 F N 2.070 122.043 119.950 0.038 0.000 2.459 488 F HA 0.564 5.107 4.527 0.027 0.000 0.346 488 F C 1.566 177.411 175.800 0.075 0.000 1.128 488 F CA -0.290 57.745 58.000 0.060 0.000 1.268 488 F CB 0.537 39.565 39.000 0.045 0.000 1.161 488 F HN 0.001 nan 8.300 nan 0.000 0.583 489 R N 1.450 122.096 120.500 0.243 0.000 2.522 489 R HA 0.319 4.675 4.340 0.027 0.000 0.284 489 R C -0.189 176.248 176.300 0.228 0.000 1.032 489 R CA -0.181 56.036 56.100 0.195 0.000 1.049 489 R CB 0.301 30.703 30.300 0.170 0.000 0.956 489 R HN 0.698 nan 8.270 nan 0.000 0.422 490 A N 4.401 127.344 122.820 0.205 0.000 2.990 490 A HA 0.060 4.396 4.320 0.027 0.000 0.282 490 A C -0.452 177.295 177.584 0.270 0.000 1.688 490 A CA -0.243 51.950 52.037 0.261 0.000 1.391 490 A CB -0.055 19.109 19.000 0.272 0.000 1.112 490 A HN 0.550 nan 8.150 nan 0.000 0.588 491 E N 2.143 122.473 120.200 0.216 0.000 2.073 491 E HA 0.427 4.793 4.350 0.027 0.000 0.269 491 E C -1.194 175.431 176.600 0.042 0.000 0.917 491 E CA -0.143 56.328 56.400 0.119 0.000 0.757 491 E CB 0.842 30.614 29.700 0.120 0.000 1.111 491 E HN 0.672 nan 8.360 nan 0.000 0.410 492 Y N 0.722 120.990 120.300 -0.055 0.000 2.581 492 Y HA 0.736 5.302 4.550 0.026 0.000 0.345 492 Y C -0.376 175.462 175.900 -0.104 0.000 1.036 492 Y CA -1.520 56.529 58.100 -0.086 0.000 1.042 492 Y CB 1.109 39.566 38.460 -0.005 0.000 1.289 492 Y HN 0.318 nan 8.280 nan 0.000 0.471 493 I N 0.372 120.996 120.570 0.091 0.000 2.785 493 I HA 0.727 4.913 4.170 0.027 0.000 0.302 493 I C -1.369 174.897 176.117 0.248 0.000 1.069 493 I CA -1.376 59.985 61.300 0.102 0.000 1.045 493 I CB 2.552 40.566 38.000 0.023 0.000 1.236 493 I HN 0.639 nan 8.210 nan 0.000 0.429 494 I N 5.032 125.746 120.570 0.239 0.000 2.378 494 I HA 0.480 4.666 4.170 0.027 0.000 0.291 494 I C -0.743 175.498 176.117 0.206 0.000 0.992 494 I CA -0.516 60.923 61.300 0.232 0.000 1.154 494 I CB 1.799 39.928 38.000 0.214 0.000 1.315 494 I HN 0.399 nan 8.210 nan 0.000 0.448 495 L N 5.277 126.642 121.223 0.235 0.000 2.362 495 L HA 0.425 4.781 4.340 0.027 0.000 0.271 495 L C 0.484 177.497 176.870 0.238 0.000 1.002 495 L CA -0.665 54.301 54.840 0.211 0.000 0.818 495 L CB 2.033 44.219 42.059 0.212 0.000 1.298 495 L HN 0.494 nan 8.230 nan 0.000 0.420 496 D N 0.983 121.477 120.400 0.157 0.000 2.144 496 D HA -0.066 4.590 4.640 0.027 0.000 0.200 496 D C 0.673 177.110 176.300 0.228 0.000 0.978 496 D CA 1.208 55.307 54.000 0.164 0.000 0.833 496 D CB 0.212 41.061 40.800 0.083 0.000 0.961 496 D HN 0.496 nan 8.370 nan 0.000 0.470 497 R N 0.573 121.124 120.500 0.085 0.000 2.643 497 R HA 0.381 4.737 4.340 0.027 0.000 0.272 497 R C -0.276 175.764 176.300 -0.432 0.000 0.995 497 R CA -0.816 55.237 56.100 -0.079 0.000 1.032 497 R CB 0.931 31.143 30.300 -0.145 0.000 1.126 497 R HN -0.327 nan 8.270 nan 0.000 0.505 498 D N 2.471 122.310 120.400 -0.935 0.000 2.434 498 D HA 0.024 4.680 4.640 0.027 0.000 0.252 498 D C -1.239 174.786 176.300 -0.459 0.000 1.185 498 D CA -1.867 51.415 54.000 -1.196 0.000 0.886 498 D CB 1.197 41.492 40.800 -0.842 0.000 1.148 498 D HN 0.407 nan 8.370 nan 0.000 0.483 499 P HA -0.069 nan 4.420 nan 0.000 0.230 499 P C 1.436 178.670 177.300 -0.109 0.000 1.158 499 P CA 0.500 63.540 63.100 -0.101 0.000 0.769 499 P CB 0.406 32.175 31.700 0.116 0.000 0.807 500 L N -1.965 119.178 121.223 -0.133 0.000 2.558 500 L HA 0.094 4.450 4.340 0.027 0.000 0.225 500 L C 1.345 178.188 176.870 -0.045 0.000 1.128 500 L CA 0.254 55.053 54.840 -0.069 0.000 0.868 500 L CB -0.245 41.819 42.059 0.008 0.000 1.006 500 L HN -0.092 nan 8.230 nan 0.000 0.454 501 K N 0.000 120.348 120.400 -0.087 0.000 2.780 501 K HA 0.000 4.336 4.320 0.027 0.000 0.191 501 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 501 K CB 0.000 32.441 32.500 -0.098 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543