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 3lq4_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDA PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.135 176.117 0.029 0.000 1.063 56 I CA 0.000 61.315 61.300 0.024 0.000 1.566 56 I CB 0.000 38.020 38.000 0.032 0.000 1.214 57 S N 4.038 119.755 115.700 0.029 0.000 2.738 57 S HA 0.538 5.007 4.470 -0.002 0.000 0.284 57 S C -0.070 174.569 174.600 0.065 0.000 1.146 57 S CA -0.922 57.298 58.200 0.034 0.000 0.997 57 S CB 1.195 64.404 63.200 0.014 0.000 1.081 57 S HN 0.555 nan 8.310 nan 0.000 0.553 58 N N 0.357 119.100 118.700 0.072 0.000 2.374 58 N HA -0.009 4.730 4.740 -0.002 0.000 0.241 58 N C -0.714 174.896 175.510 0.166 0.000 1.262 58 N CA 0.245 53.366 53.050 0.119 0.000 0.880 58 N CB -0.155 38.393 38.487 0.101 0.000 1.105 58 N HN 0.694 nan 8.380 nan 0.000 0.438 59 Y N 2.124 122.470 120.300 0.077 0.000 3.028 59 Y HA 0.157 4.706 4.550 -0.002 0.000 0.381 59 Y C 0.452 176.475 175.900 0.206 0.000 1.139 59 Y CA -0.134 58.021 58.100 0.091 0.000 2.013 59 Y CB -0.826 37.731 38.460 0.160 0.000 2.146 59 Y HN 0.332 nan 8.280 nan 0.000 0.412 60 I N -2.870 117.751 120.570 0.086 0.000 3.264 60 I HA 0.521 4.690 4.170 -0.002 0.000 0.315 60 I C -0.589 175.496 176.117 -0.052 0.000 1.154 60 I CA -1.601 59.785 61.300 0.143 0.000 0.962 60 I CB 1.380 39.486 38.000 0.177 0.000 1.265 60 I HN -0.216 nan 8.210 nan 0.000 0.463 61 N N 1.679 120.373 118.700 -0.011 0.000 2.454 61 N HA 0.086 4.825 4.740 -0.002 0.000 0.254 61 N C 0.742 176.221 175.510 -0.052 0.000 1.228 61 N CA 0.103 53.106 53.050 -0.078 0.000 0.900 61 N CB 0.938 39.415 38.487 -0.016 0.000 1.089 61 N HN 0.687 nan 8.380 nan 0.000 0.449 62 T N 1.211 115.714 114.554 -0.085 0.000 2.857 62 T HA 0.074 4.422 4.350 -0.002 0.000 0.266 62 T C 1.048 175.727 174.700 -0.034 0.000 1.048 62 T CA 0.746 62.808 62.100 -0.063 0.000 1.139 62 T CB 0.045 68.859 68.868 -0.090 0.000 0.874 62 T HN 0.415 nan 8.240 nan 0.000 0.455 63 I N 4.129 124.679 120.570 -0.032 0.000 2.291 63 I HA 0.233 4.402 4.170 -0.002 0.000 0.290 63 I C -2.133 173.998 176.117 0.024 0.000 1.050 63 I CA -2.391 58.906 61.300 -0.005 0.000 1.245 63 I CB 1.064 39.059 38.000 -0.007 0.000 1.405 63 I HN 0.023 nan 8.210 nan 0.000 0.478 64 P HA -0.011 nan 4.420 nan 0.000 0.272 64 P C 0.934 178.273 177.300 0.065 0.000 1.223 64 P CA -0.150 62.983 63.100 0.055 0.000 0.784 64 P CB 1.951 33.681 31.700 0.049 0.000 0.923 65 V N 2.085 122.048 119.914 0.082 0.000 2.453 65 V HA -0.273 3.846 4.120 -0.002 0.000 0.252 65 V C 2.013 178.152 176.094 0.075 0.000 1.068 65 V CA 2.250 64.603 62.300 0.087 0.000 1.070 65 V CB -1.055 30.828 31.823 0.100 0.000 0.664 65 V HN 0.500 nan 8.190 nan 0.000 0.461 66 E N 0.156 120.395 120.200 0.064 0.000 2.204 66 E HA -0.156 4.192 4.350 -0.002 0.000 0.195 66 E C 1.909 178.541 176.600 0.052 0.000 0.990 66 E CA 1.341 57.774 56.400 0.055 0.000 0.821 66 E CB -0.107 29.622 29.700 0.047 0.000 0.750 66 E HN 0.759 nan 8.360 nan 0.000 0.477 67 E N -0.044 120.188 120.200 0.052 0.000 2.501 67 E HA 0.048 4.396 4.350 -0.002 0.000 0.200 67 E C -0.037 176.600 176.600 0.062 0.000 1.016 67 E CA -0.188 56.241 56.400 0.048 0.000 0.921 67 E CB 0.424 30.144 29.700 0.034 0.000 1.034 67 E HN 0.139 nan 8.360 nan 0.000 0.468 68 Q N 3.013 122.860 119.800 0.078 0.000 2.314 68 Q HA 0.152 4.491 4.340 -0.002 0.000 0.257 68 Q C -2.127 173.951 176.000 0.130 0.000 0.975 68 Q CA -2.113 53.755 55.803 0.108 0.000 0.933 68 Q CB 0.661 29.468 28.738 0.114 0.000 1.195 68 Q HN -0.048 nan 8.270 nan 0.000 0.426 69 P HA 0.013 nan 4.420 nan 0.000 0.269 69 P C -0.600 176.809 177.300 0.182 0.000 1.215 69 P CA -0.054 63.156 63.100 0.184 0.000 0.780 69 P CB 0.711 32.565 31.700 0.256 0.000 0.898 70 E N 0.829 121.092 120.200 0.105 0.000 2.384 70 E HA -0.012 4.337 4.350 -0.002 0.000 0.266 70 E C -0.458 176.112 176.600 -0.050 0.000 1.012 70 E CA -0.036 56.395 56.400 0.051 0.000 0.901 70 E CB 0.059 29.770 29.700 0.019 0.000 0.967 70 E HN 0.379 nan 8.360 nan 0.000 0.435 71 Y N 5.887 126.068 120.300 -0.197 0.000 2.496 71 Y HA 0.057 4.606 4.550 -0.002 0.000 0.334 71 Y C -1.163 174.493 175.900 -0.406 0.000 1.080 71 Y CA -1.543 56.282 58.100 -0.458 0.000 1.355 71 Y CB 0.839 39.138 38.460 -0.267 0.000 1.193 71 Y HN 0.373 nan 8.280 nan 0.000 0.523 72 P HA 0.128 nan 4.420 nan 0.000 0.241 72 P C 0.252 177.297 177.300 -0.425 0.000 1.191 72 P CA 0.507 63.228 63.100 -0.632 0.000 0.771 72 P CB 0.474 31.794 31.700 -0.634 0.000 0.929 73 G N 0.356 108.825 108.800 -0.551 0.000 2.601 73 G HA2 0.214 4.172 3.960 -0.002 0.000 0.317 73 G HA3 0.214 4.172 3.960 -0.002 0.000 0.317 73 G C -0.798 174.283 174.900 0.301 0.000 1.246 73 G CA -0.481 44.694 45.100 0.124 0.000 1.012 73 G HN -0.022 nan 8.290 nan 0.000 0.494 74 N N 0.830 119.701 118.700 0.285 0.000 2.482 74 N HA 0.103 4.842 4.740 -0.002 0.000 0.242 74 N C 1.640 177.176 175.510 0.042 0.000 1.100 74 N CA -0.252 52.846 53.050 0.081 0.000 0.946 74 N CB 0.683 39.107 38.487 -0.104 0.000 1.227 74 N HN 0.403 nan 8.380 nan 0.000 0.508 75 L N 1.469 122.750 121.223 0.098 0.000 2.013 75 L HA -0.186 4.152 4.340 -0.002 0.000 0.212 75 L C 2.360 179.216 176.870 -0.024 0.000 1.073 75 L CA 1.282 56.132 54.840 0.017 0.000 0.753 75 L CB -0.253 41.776 42.059 -0.050 0.000 0.890 75 L HN 0.563 nan 8.230 nan 0.000 0.432 76 E N 0.409 120.587 120.200 -0.036 0.000 2.051 76 E HA -0.257 4.091 4.350 -0.002 0.000 0.192 76 E C 2.208 178.758 176.600 -0.083 0.000 0.991 76 E CA 1.499 57.873 56.400 -0.042 0.000 0.799 76 E CB -0.118 29.560 29.700 -0.038 0.000 0.748 76 E HN 0.272 nan 8.360 nan 0.000 0.449 77 L N 1.753 122.875 121.223 -0.169 0.000 2.056 77 L HA -0.133 4.206 4.340 -0.002 0.000 0.207 77 L C 2.051 178.749 176.870 -0.286 0.000 1.078 77 L CA 1.815 56.486 54.840 -0.283 0.000 0.749 77 L CB -0.492 41.276 42.059 -0.485 0.000 0.901 77 L HN 0.090 nan 8.230 nan 0.000 0.433 78 E N -0.766 119.277 120.200 -0.261 0.000 2.110 78 E HA -0.280 4.068 4.350 -0.002 0.000 0.193 78 E C 2.247 178.855 176.600 0.013 0.000 0.988 78 E CA 1.146 57.492 56.400 -0.089 0.000 0.804 78 E CB -0.198 29.546 29.700 0.073 0.000 0.745 78 E HN 0.449 nan 8.360 nan 0.000 0.458 79 R N 1.211 121.721 120.500 0.017 0.000 2.092 79 R HA -0.088 4.251 4.340 -0.002 0.000 0.231 79 R C 2.207 178.562 176.300 0.092 0.000 1.119 79 R CA 1.044 57.188 56.100 0.073 0.000 0.970 79 R CB 0.091 30.437 30.300 0.076 0.000 0.864 79 R HN 0.014 nan 8.270 nan 0.000 0.440 80 R N 0.203 120.731 120.500 0.048 0.000 2.092 80 R HA -0.081 4.258 4.340 -0.002 0.000 0.231 80 R C 2.303 178.716 176.300 0.189 0.000 1.119 80 R CA 1.542 57.697 56.100 0.091 0.000 0.970 80 R CB -0.352 29.951 30.300 0.006 0.000 0.864 80 R HN 0.334 nan 8.270 nan 0.000 0.440 81 I N 0.246 120.886 120.570 0.116 0.000 2.202 81 I HA -0.254 3.914 4.170 -0.002 0.000 0.242 81 I C 2.815 179.079 176.117 0.245 0.000 1.091 81 I CA 1.104 62.549 61.300 0.242 0.000 1.368 81 I CB -0.263 37.804 38.000 0.112 0.000 1.058 81 I HN 0.109 nan 8.210 nan 0.000 0.410 82 R N 0.675 121.275 120.500 0.166 0.000 2.081 82 R HA -0.153 4.186 4.340 -0.002 0.000 0.235 82 R C 2.386 178.759 176.300 0.121 0.000 1.131 82 R CA 1.806 57.992 56.100 0.145 0.000 0.960 82 R CB -0.095 30.278 30.300 0.122 0.000 0.856 82 R HN 0.191 nan 8.270 nan 0.000 0.436 83 S N 0.182 115.963 115.700 0.134 0.000 2.382 83 S HA -0.122 4.347 4.470 -0.002 0.000 0.228 83 S C 1.878 176.579 174.600 0.169 0.000 1.027 83 S CA 1.124 59.392 58.200 0.114 0.000 0.991 83 S CB -0.110 63.212 63.200 0.204 0.000 0.823 83 S HN 0.573 nan 8.310 nan 0.000 0.469 84 A N 1.310 124.253 122.820 0.206 0.000 1.930 84 A HA 0.027 4.346 4.320 -0.002 0.000 0.217 84 A C 2.019 179.732 177.584 0.215 0.000 1.175 84 A CA 0.959 53.104 52.037 0.180 0.000 0.627 84 A CB -0.583 18.452 19.000 0.058 0.000 0.815 84 A HN 0.496 nan 8.150 nan 0.000 0.443 85 I N -0.954 119.735 120.570 0.198 0.000 2.252 85 I HA -0.244 3.924 4.170 -0.002 0.000 0.245 85 I C 2.745 179.006 176.117 0.241 0.000 1.102 85 I CA 1.185 62.601 61.300 0.193 0.000 1.385 85 I CB -0.397 37.722 38.000 0.199 0.000 1.064 85 I HN 0.282 nan 8.210 nan 0.000 0.414 86 R N 0.155 120.786 120.500 0.219 0.000 2.083 86 R HA -0.230 4.109 4.340 -0.002 0.000 0.237 86 R C 2.271 178.677 176.300 0.177 0.000 1.137 86 R CA 1.999 58.202 56.100 0.170 0.000 0.951 86 R CB -0.566 29.626 30.300 -0.181 0.000 0.851 86 R HN 0.561 nan 8.270 nan 0.000 0.434 87 W N 2.241 123.559 121.300 0.029 0.000 2.354 87 W HA -0.199 4.460 4.660 -0.002 0.000 0.315 87 W C 1.230 177.783 176.519 0.056 0.000 1.206 87 W CA 1.431 58.806 57.345 0.049 0.000 1.290 87 W CB -0.362 29.131 29.460 0.054 0.000 1.152 87 W HN 0.113 nan 8.180 nan 0.000 0.489 88 N N 0.895 119.717 118.700 0.203 0.000 2.166 88 N HA -0.155 4.584 4.740 -0.002 0.000 0.186 88 N C 1.860 177.343 175.510 -0.045 0.000 1.019 88 N CA 2.124 55.246 53.050 0.120 0.000 0.856 88 N CB -1.013 37.574 38.487 0.167 0.000 0.993 88 N HN 0.206 nan 8.380 nan 0.000 0.426 89 A N 1.136 123.918 122.820 -0.064 0.000 1.902 89 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 89 A C 2.324 179.804 177.584 -0.172 0.000 1.181 89 A CA 0.884 52.824 52.037 -0.162 0.000 0.623 89 A CB -0.585 18.318 19.000 -0.161 0.000 0.818 89 A HN 0.211 nan 8.150 nan 0.000 0.443 90 I N -0.717 119.764 120.570 -0.148 0.000 2.252 90 I HA -0.248 3.920 4.170 -0.002 0.000 0.245 90 I C 2.552 178.487 176.117 -0.304 0.000 1.102 90 I CA 1.010 62.193 61.300 -0.196 0.000 1.385 90 I CB -0.331 37.549 38.000 -0.200 0.000 1.064 90 I HN 0.260 nan 8.210 nan 0.000 0.414 91 M N 0.091 119.429 119.600 -0.436 0.000 2.108 91 M HA -0.166 4.312 4.480 -0.002 0.000 0.261 91 M C 2.434 178.584 176.300 -0.251 0.000 1.066 91 M CA 1.881 56.907 55.300 -0.456 0.000 1.107 91 M CB -1.670 30.569 32.600 -0.602 0.000 1.356 91 M HN 0.223 nan 8.290 nan 0.000 0.406 92 T N 0.944 115.423 114.554 -0.125 0.000 2.684 92 T HA -0.101 4.248 4.350 -0.002 0.000 0.267 92 T C 2.058 176.622 174.700 -0.227 0.000 1.036 92 T CA 1.557 63.570 62.100 -0.145 0.000 1.148 92 T CB -0.344 68.308 68.868 -0.360 0.000 0.863 92 T HN 0.173 nan 8.240 nan 0.000 0.436 93 V N 1.243 120.997 119.914 -0.267 0.000 2.453 93 V HA -0.040 4.078 4.120 -0.002 0.000 0.247 93 V C 2.475 178.542 176.094 -0.046 0.000 1.048 93 V CA 1.220 63.449 62.300 -0.118 0.000 1.049 93 V CB -0.643 31.128 31.823 -0.086 0.000 0.672 93 V HN 0.428 nan 8.190 nan 0.000 0.457 94 L N -0.503 120.656 121.223 -0.107 0.000 2.046 94 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 94 L C 2.832 179.653 176.870 -0.081 0.000 1.077 94 L CA 1.633 56.413 54.840 -0.100 0.000 0.747 94 L CB -0.599 41.365 42.059 -0.158 0.000 0.896 94 L HN 0.242 nan 8.230 nan 0.000 0.432 95 R N -0.095 120.344 120.500 -0.102 0.000 2.096 95 R HA -0.142 4.197 4.340 -0.002 0.000 0.235 95 R C 2.408 178.699 176.300 -0.015 0.000 1.127 95 R CA 1.304 57.358 56.100 -0.077 0.000 0.968 95 R CB -0.448 29.794 30.300 -0.098 0.000 0.861 95 R HN 0.357 nan 8.270 nan 0.000 0.440 96 A N 0.447 123.289 122.820 0.038 0.000 1.877 96 A HA -0.191 4.128 4.320 -0.002 0.000 0.216 96 A C 2.205 179.812 177.584 0.037 0.000 1.186 96 A CA 1.837 53.925 52.037 0.085 0.000 0.620 96 A CB -0.697 18.446 19.000 0.239 0.000 0.822 96 A HN 0.308 nan 8.150 nan 0.000 0.443 97 S N -0.343 115.373 115.700 0.026 0.000 2.383 97 S HA -0.200 4.269 4.470 -0.002 0.000 0.229 97 S C 1.968 176.563 174.600 -0.009 0.000 1.030 97 S CA 1.779 59.982 58.200 0.005 0.000 1.002 97 S CB -0.373 62.825 63.200 -0.004 0.000 0.829 97 S HN 0.577 nan 8.310 nan 0.000 0.467 98 K N 0.563 120.952 120.400 -0.019 0.000 2.280 98 K HA -0.066 4.253 4.320 -0.002 0.000 0.202 98 K C 1.965 178.553 176.600 -0.019 0.000 1.047 98 K CA 1.022 57.295 56.287 -0.024 0.000 0.942 98 K CB -0.129 32.349 32.500 -0.035 0.000 0.739 98 K HN 0.428 nan 8.250 nan 0.000 0.457 99 K N 0.737 121.128 120.400 -0.015 0.000 2.362 99 K HA -0.134 4.184 4.320 -0.002 0.000 0.200 99 K C 0.229 176.820 176.600 -0.015 0.000 1.046 99 K CA 0.802 57.079 56.287 -0.016 0.000 0.952 99 K CB -0.108 32.384 32.500 -0.015 0.000 0.753 99 K HN 0.080 nan 8.250 nan 0.000 0.466 100 D N 0.122 120.514 120.400 -0.012 0.000 2.723 100 D HA -0.175 4.464 4.640 -0.002 0.000 0.236 100 D C -0.384 175.908 176.300 -0.012 0.000 1.138 100 D CA 0.485 54.478 54.000 -0.011 0.000 0.676 100 D CB -1.096 39.697 40.800 -0.012 0.000 1.069 100 D HN 0.219 nan 8.370 nan 0.000 0.430 101 L N 0.278 121.493 121.223 -0.013 0.000 2.910 101 L HA 0.218 4.557 4.340 -0.002 0.000 0.252 101 L C 0.717 177.577 176.870 -0.016 0.000 1.195 101 L CA -0.360 54.471 54.840 -0.015 0.000 1.003 101 L CB 0.209 42.257 42.059 -0.018 0.000 1.328 101 L HN 0.026 nan 8.230 nan 0.000 0.540 102 E N 0.371 120.563 120.200 -0.014 0.000 2.360 102 E HA -0.239 4.110 4.350 -0.002 0.000 0.238 102 E C 1.022 177.609 176.600 -0.022 0.000 1.186 102 E CA 0.453 56.844 56.400 -0.014 0.000 0.719 102 E CB -1.584 28.110 29.700 -0.011 0.000 1.236 102 E HN 0.539 nan 8.360 nan 0.000 0.386 103 L N -0.965 120.242 121.223 -0.027 0.000 2.109 103 L HA -0.034 4.304 4.340 -0.002 0.000 0.207 103 L C 1.606 178.442 176.870 -0.057 0.000 1.086 103 L CA 1.178 55.986 54.840 -0.053 0.000 0.760 103 L CB -0.478 41.548 42.059 -0.054 0.000 0.910 103 L HN 0.525 nan 8.230 nan 0.000 0.437 104 G N -0.499 108.287 108.800 -0.023 0.000 2.693 104 G HA2 0.152 4.110 3.960 -0.002 0.000 0.226 104 G HA3 0.152 4.110 3.960 -0.002 0.000 0.226 104 G C 0.037 174.951 174.900 0.023 0.000 1.354 104 G CA -0.382 44.699 45.100 -0.032 0.000 0.873 104 G HN 0.897 nan 8.290 nan 0.000 0.562 105 G N -2.128 106.645 108.800 -0.044 0.000 2.627 105 G HA2 0.570 4.529 3.960 -0.002 0.000 0.680 105 G HA3 0.570 4.529 3.960 -0.002 0.000 0.680 105 G C -0.881 173.990 174.900 -0.047 0.000 1.341 105 G CA 0.429 45.614 45.100 0.141 0.000 0.835 105 G HN 1.848 nan 8.290 nan 0.000 0.643 106 H N 0.837 120.051 119.070 0.239 0.000 2.567 106 H HA 0.832 5.387 4.556 -0.002 0.000 0.345 106 H C 1.297 176.725 175.328 0.166 0.000 1.169 106 H CA -0.787 55.381 56.048 0.200 0.000 1.227 106 H CB 1.722 31.634 29.762 0.250 0.000 1.607 106 H HN 0.494 nan 8.280 nan 0.000 0.534 107 M N -0.206 119.564 119.600 0.283 0.000 2.274 107 M HA 0.234 4.713 4.480 -0.002 0.000 0.214 107 M C 2.080 178.537 176.300 0.262 0.000 1.526 107 M CA 0.653 56.089 55.300 0.227 0.000 1.043 107 M CB 0.253 32.935 32.600 0.137 0.000 1.505 107 M HN 0.627 nan 8.290 nan 0.000 0.561 108 A N 0.377 123.340 122.820 0.238 0.000 1.917 108 A HA -0.206 4.112 4.320 -0.002 0.000 0.219 108 A C 2.215 179.951 177.584 0.253 0.000 1.182 108 A CA 2.610 54.784 52.037 0.228 0.000 0.633 108 A CB -0.970 18.149 19.000 0.199 0.000 0.819 108 A HN 0.459 nan 8.150 nan 0.000 0.448 109 S N -1.690 114.183 115.700 0.287 0.000 2.348 109 S HA -0.166 4.303 4.470 -0.002 0.000 0.221 109 S C 1.745 176.520 174.600 0.290 0.000 1.033 109 S CA 1.672 60.044 58.200 0.285 0.000 1.010 109 S CB -0.494 62.906 63.200 0.334 0.000 0.891 109 S HN 0.622 nan 8.310 nan 0.000 0.442 110 F N 2.335 122.384 119.950 0.165 0.000 2.216 110 F HA -0.015 4.511 4.527 -0.002 0.000 0.300 110 F C 2.466 178.372 175.800 0.175 0.000 1.085 110 F CA 1.471 59.555 58.000 0.141 0.000 1.326 110 F CB -0.559 38.485 39.000 0.073 0.000 1.027 110 F HN 0.213 nan 8.300 nan 0.000 0.497 111 Q N 0.181 120.048 119.800 0.111 0.000 2.135 111 Q HA -0.175 4.163 4.340 -0.002 0.000 0.204 111 Q C 2.589 178.693 176.000 0.174 0.000 0.981 111 Q CA 1.898 57.756 55.803 0.092 0.000 0.856 111 Q CB -0.820 28.058 28.738 0.234 0.000 0.902 111 Q HN 0.581 nan 8.270 nan 0.000 0.425 112 S N -0.475 115.339 115.700 0.190 0.000 2.461 112 S HA -0.039 4.430 4.470 -0.002 0.000 0.228 112 S C 1.789 176.397 174.600 0.013 0.000 1.005 112 S CA 1.072 59.389 58.200 0.195 0.000 0.942 112 S CB -0.031 63.275 63.200 0.176 0.000 0.776 112 S HN 0.305 nan 8.310 nan 0.000 0.514 113 S N -0.044 115.658 115.700 0.004 0.000 2.603 113 S HA 0.629 5.097 4.470 -0.002 0.000 0.232 113 S C 1.681 176.297 174.600 0.026 0.000 1.016 113 S CA 0.107 58.317 58.200 0.018 0.000 0.976 113 S CB 0.157 63.471 63.200 0.190 0.000 0.921 113 S HN 0.601 nan 8.310 nan 0.000 0.516 114 A N 2.466 125.121 122.820 -0.276 0.000 1.917 114 A HA -0.078 4.240 4.320 -0.002 0.000 0.219 114 A C 2.257 179.838 177.584 -0.005 0.000 1.182 114 A CA 2.343 54.136 52.037 -0.405 0.000 0.633 114 A CB -1.683 16.828 19.000 -0.815 0.000 0.819 114 A HN 0.545 nan 8.150 nan 0.000 0.448 115 T N 0.130 114.684 114.554 -0.001 0.000 2.867 115 T HA -0.053 4.296 4.350 -0.002 0.000 0.268 115 T C 1.759 176.507 174.700 0.080 0.000 1.057 115 T CA 1.385 63.522 62.100 0.061 0.000 1.136 115 T CB -0.377 68.518 68.868 0.046 0.000 0.874 115 T HN 0.454 nan 8.240 nan 0.000 0.466 116 I N -0.227 120.367 120.570 0.039 0.000 2.202 116 I HA -0.164 4.005 4.170 -0.002 0.000 0.242 116 I C 2.114 178.228 176.117 -0.005 0.000 1.091 116 I CA 1.498 62.820 61.300 0.038 0.000 1.368 116 I CB -0.371 37.635 38.000 0.009 0.000 1.058 116 I HN 0.198 nan 8.210 nan 0.000 0.410 117 Y N 0.630 120.987 120.300 0.094 0.000 2.293 117 Y HA -0.275 4.274 4.550 -0.002 0.000 0.291 117 Y C 2.272 178.285 175.900 0.189 0.000 1.137 117 Y CA 1.693 59.854 58.100 0.101 0.000 1.202 117 Y CB -0.554 38.098 38.460 0.319 0.000 0.990 117 Y HN 0.210 nan 8.280 nan 0.000 0.537 118 D N -0.503 120.109 120.400 0.354 0.000 2.097 118 D HA -0.162 4.476 4.640 -0.002 0.000 0.195 118 D C 2.187 178.619 176.300 0.220 0.000 0.989 118 D CA 1.294 55.478 54.000 0.306 0.000 0.827 118 D CB -0.125 40.811 40.800 0.226 0.000 0.966 118 D HN 0.068 nan 8.370 nan 0.000 0.456 119 V N -0.129 119.891 119.914 0.176 0.000 2.332 119 V HA -0.315 3.804 4.120 -0.002 0.000 0.248 119 V C 2.709 178.857 176.094 0.090 0.000 1.055 119 V CA 1.552 64.012 62.300 0.266 0.000 1.038 119 V CB -0.543 31.464 31.823 0.307 0.000 0.651 119 V HN 0.448 nan 8.190 nan 0.000 0.450 120 C N -0.649 118.447 119.300 -0.341 0.000 2.432 120 C HA -0.151 4.308 4.460 -0.002 0.000 0.277 120 C C 2.506 177.019 174.990 -0.794 0.000 1.249 120 C CA 0.857 59.321 59.018 -0.923 0.000 1.725 120 C CB -1.280 25.249 27.740 -2.019 0.000 2.028 120 C HN 0.536 nan 8.230 nan 0.000 0.477 121 F N 1.593 121.289 119.950 -0.424 0.000 2.216 121 F HA -0.091 4.435 4.527 -0.002 0.000 0.300 121 F C 2.342 178.057 175.800 -0.141 0.000 1.085 121 F CA 1.370 59.306 58.000 -0.106 0.000 1.326 121 F CB -0.535 38.508 39.000 0.072 0.000 1.027 121 F HN 0.304 nan 8.300 nan 0.000 0.497 122 N N -1.465 117.221 118.700 -0.022 0.000 2.376 122 N HA -0.076 4.663 4.740 -0.002 0.000 0.177 122 N C 1.152 176.230 175.510 -0.720 0.000 1.024 122 N CA 1.089 53.935 53.050 -0.340 0.000 0.893 122 N CB -0.123 38.150 38.487 -0.357 0.000 0.980 122 N HN 0.396 nan 8.380 nan 0.000 0.439 123 H N -2.810 116.167 119.070 -0.154 0.000 3.535 123 H HA 0.223 4.778 4.556 -0.002 0.000 0.260 123 H C 0.434 175.351 175.328 -0.686 0.000 1.173 123 H CA -0.039 55.767 56.048 -0.404 0.000 1.168 123 H CB 0.563 30.052 29.762 -0.454 0.000 1.568 123 H HN 0.095 nan 8.280 nan 0.000 0.602 124 F N -0.352 119.534 119.950 -0.107 0.000 2.421 124 F HA 0.186 4.711 4.527 -0.002 0.000 0.270 124 F C 0.451 176.263 175.800 0.020 0.000 0.894 124 F CA -0.419 57.529 58.000 -0.087 0.000 1.128 124 F CB -0.013 38.864 39.000 -0.205 0.000 1.011 124 F HN -0.184 nan 8.300 nan 0.000 0.788 125 F N 3.839 123.782 119.950 -0.012 0.000 2.539 125 F HA 0.085 4.610 4.527 -0.002 0.000 0.393 125 F C 0.788 176.569 175.800 -0.031 0.000 1.032 125 F CA -0.300 57.649 58.000 -0.084 0.000 1.120 125 F CB -0.646 38.189 39.000 -0.274 0.000 1.014 125 F HN -0.195 nan 8.300 nan 0.000 0.546 126 R N 2.344 122.965 120.500 0.202 0.000 2.297 126 R HA 0.636 4.975 4.340 -0.002 0.000 0.308 126 R C 0.093 176.450 176.300 0.095 0.000 1.029 126 R CA -0.635 55.506 56.100 0.068 0.000 0.929 126 R CB 1.106 31.440 30.300 0.055 0.000 1.046 126 R HN 0.685 nan 8.270 nan 0.000 0.461 127 A N 2.837 125.709 122.820 0.086 0.000 2.271 127 A HA 0.282 4.601 4.320 -0.002 0.000 0.288 127 A C 0.070 177.733 177.584 0.132 0.000 1.094 127 A CA -0.596 51.503 52.037 0.104 0.000 0.828 127 A CB 0.461 19.512 19.000 0.085 0.000 1.091 127 A HN 0.806 nan 8.150 nan 0.000 0.493 128 R N 0.340 120.900 120.500 0.100 0.000 2.585 128 R HA 0.097 4.436 4.340 -0.002 0.000 0.275 128 R C -0.188 176.168 176.300 0.093 0.000 1.018 128 R CA 1.055 57.209 56.100 0.090 0.000 1.072 128 R CB -0.080 30.258 30.300 0.063 0.000 0.953 128 R HN 0.990 nan 8.270 nan 0.000 0.419 129 N N 0.858 119.602 118.700 0.074 0.000 3.278 129 N HA 0.115 4.853 4.740 -0.002 0.000 0.307 129 N C -0.364 175.148 175.510 0.002 0.000 1.551 129 N CA -0.849 52.211 53.050 0.017 0.000 0.794 129 N CB 0.551 39.005 38.487 -0.055 0.000 1.770 129 N HN 0.332 nan 8.380 nan 0.000 0.612 130 E N -0.707 119.471 120.200 -0.036 0.000 2.150 130 E HA -0.187 4.161 4.350 -0.002 0.000 0.193 130 E C 1.210 177.807 176.600 -0.005 0.000 0.985 130 E CA 1.239 57.628 56.400 -0.017 0.000 0.814 130 E CB -0.080 29.599 29.700 -0.034 0.000 0.752 130 E HN 0.671 nan 8.360 nan 0.000 0.466 131 Q N 1.188 120.980 119.800 -0.013 0.000 2.061 131 Q HA -0.065 4.273 4.340 -0.002 0.000 0.195 131 Q C -0.079 175.937 176.000 0.028 0.000 0.967 131 Q CA 1.546 57.352 55.803 0.006 0.000 0.829 131 Q CB 0.324 29.066 28.738 0.005 0.000 0.900 131 Q HN 0.270 nan 8.270 nan 0.000 0.450 132 D N -3.435 116.992 120.400 0.045 0.000 2.610 132 D HA 0.387 5.026 4.640 -0.002 0.000 0.271 132 D C 0.440 176.784 176.300 0.073 0.000 1.174 132 D CA -0.408 53.627 54.000 0.058 0.000 0.949 132 D CB 0.279 41.116 40.800 0.061 0.000 1.430 132 D HN 0.048 nan 8.370 nan 0.000 0.467 133 G N -1.335 107.512 108.800 0.079 0.000 2.776 133 G HA2 0.423 4.382 3.960 -0.002 0.000 0.209 133 G HA3 0.423 4.382 3.960 -0.002 0.000 0.209 133 G C 0.970 175.928 174.900 0.097 0.000 1.145 133 G CA 0.291 45.441 45.100 0.085 0.000 0.791 133 G HN 1.063 nan 8.290 nan 0.000 0.530 134 G N 0.060 108.925 108.800 0.109 0.000 2.698 134 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.233 134 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.233 134 G C -0.719 174.253 174.900 0.121 0.000 1.352 134 G CA -0.288 44.886 45.100 0.123 0.000 0.879 134 G HN 0.253 nan 8.290 nan 0.000 0.567 135 D N 0.440 120.917 120.400 0.129 0.000 2.350 135 D HA 0.412 5.050 4.640 -0.002 0.000 0.249 135 D C 0.735 177.106 176.300 0.119 0.000 1.119 135 D CA 0.166 54.260 54.000 0.157 0.000 0.886 135 D CB 0.877 41.840 40.800 0.273 0.000 1.195 135 D HN 0.461 nan 8.370 nan 0.000 0.437 136 L N 2.120 123.437 121.223 0.157 0.000 2.259 136 L HA 0.273 4.612 4.340 -0.002 0.000 0.288 136 L C -0.333 176.632 176.870 0.159 0.000 1.051 136 L CA -0.811 54.151 54.840 0.203 0.000 0.824 136 L CB 0.910 43.072 42.059 0.171 0.000 1.206 136 L HN -0.048 nan 8.230 nan 0.000 0.429 137 V N 3.521 123.454 119.914 0.031 0.000 2.350 137 V HA 0.200 4.319 4.120 -0.002 0.000 0.276 137 V C -0.517 175.524 176.094 -0.088 0.000 1.028 137 V CA -0.470 61.724 62.300 -0.177 0.000 0.860 137 V CB 0.940 32.178 31.823 -0.974 0.000 0.990 137 V HN 0.387 nan 8.190 nan 0.000 0.453 138 Y N 4.941 125.247 120.300 0.010 0.000 2.751 138 Y HA 0.453 5.002 4.550 -0.002 0.000 0.333 138 Y C 0.226 176.229 175.900 0.172 0.000 1.122 138 Y CA -1.015 57.160 58.100 0.126 0.000 1.367 138 Y CB -0.084 38.399 38.460 0.038 0.000 1.242 138 Y HN 0.498 nan 8.280 nan 0.000 0.505 139 F N 1.148 121.277 119.950 0.299 0.000 2.529 139 F HA 0.052 4.577 4.527 -0.002 0.000 0.365 139 F C 1.019 176.895 175.800 0.127 0.000 1.102 139 F CA -0.280 57.841 58.000 0.200 0.000 1.271 139 F CB 0.514 39.562 39.000 0.081 0.000 1.120 139 F HN 0.343 nan 8.300 nan 0.000 0.579 140 Q N 2.348 122.349 119.800 0.336 0.000 2.255 140 Q HA 0.091 4.429 4.340 -0.002 0.000 0.280 140 Q C 1.396 177.330 176.000 -0.110 0.000 1.068 140 Q CA 0.308 56.144 55.803 0.054 0.000 0.911 140 Q CB 0.988 29.705 28.738 -0.035 0.000 1.157 140 Q HN 0.977 nan 8.270 nan 0.000 0.380 141 G N 3.949 112.689 108.800 -0.101 0.000 2.505 141 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.220 141 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.220 141 G C 0.846 175.762 174.900 0.027 0.000 1.145 141 G CA 1.162 46.197 45.100 -0.108 0.000 0.761 141 G HN 0.938 nan 8.290 nan 0.000 0.571 142 H N 0.584 119.603 119.070 -0.084 0.000 2.559 142 H HA 0.046 4.600 4.556 -0.002 0.000 0.273 142 H C 2.076 177.458 175.328 0.089 0.000 1.000 142 H CA 0.820 56.856 56.048 -0.020 0.000 1.195 142 H CB -0.634 28.921 29.762 -0.345 0.000 1.368 142 H HN 0.624 nan 8.280 nan 0.000 0.592 143 I N -2.107 118.455 120.570 -0.014 0.000 3.861 143 I HA 0.249 4.417 4.170 -0.002 0.000 0.329 143 I C 1.549 177.540 176.117 -0.211 0.000 1.321 143 I CA -0.194 61.106 61.300 -0.000 0.000 1.126 143 I CB 0.286 38.342 38.000 0.093 0.000 1.018 143 I HN -0.186 nan 8.210 nan 0.000 0.407 144 S N 2.378 118.003 115.700 -0.125 0.000 2.372 144 S HA -0.122 4.346 4.470 -0.002 0.000 0.227 144 S C -0.301 174.040 174.600 -0.432 0.000 1.044 144 S CA 2.239 60.287 58.200 -0.254 0.000 1.050 144 S CB -1.236 61.917 63.200 -0.078 0.000 0.901 144 S HN 0.449 nan 8.310 nan 0.000 0.447 145 P HA -0.053 nan 4.420 nan 0.000 0.218 145 P C 1.528 178.506 177.300 -0.537 0.000 1.148 145 P CA 1.286 64.187 63.100 -0.331 0.000 0.822 145 P CB -0.353 31.137 31.700 -0.350 0.000 0.784 146 G N -0.792 107.404 108.800 -1.006 0.000 2.421 146 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.217 146 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.217 146 G C 1.524 175.931 174.900 -0.822 0.000 1.143 146 G CA 0.353 44.438 45.100 -1.693 0.000 0.784 146 G HN 0.158 nan 8.290 nan 0.000 0.541 147 V N 0.020 119.551 119.914 -0.638 0.000 2.379 147 V HA -0.110 4.009 4.120 -0.002 0.000 0.245 147 V C 2.387 178.342 176.094 -0.233 0.000 1.044 147 V CA 1.050 63.079 62.300 -0.453 0.000 1.036 147 V CB -0.679 30.843 31.823 -0.502 0.000 0.664 147 V HN 0.355 nan 8.190 nan 0.000 0.453 148 Y N 0.934 121.125 120.300 -0.183 0.000 2.224 148 Y HA -0.096 4.453 4.550 -0.002 0.000 0.289 148 Y C 2.570 178.356 175.900 -0.190 0.000 1.146 148 Y CA 0.713 58.697 58.100 -0.193 0.000 1.182 148 Y CB -1.348 36.988 38.460 -0.206 0.000 0.983 148 Y HN 0.194 nan 8.280 nan 0.000 0.524 149 A N 0.230 123.004 122.820 -0.076 0.000 1.902 149 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 149 A C 2.411 180.003 177.584 0.014 0.000 1.181 149 A CA 1.934 53.937 52.037 -0.058 0.000 0.623 149 A CB -0.708 18.228 19.000 -0.107 0.000 0.818 149 A HN 0.433 nan 8.150 nan 0.000 0.443 150 R N -0.416 120.032 120.500 -0.087 0.000 2.066 150 R HA -0.028 4.311 4.340 -0.002 0.000 0.232 150 R C 2.285 178.532 176.300 -0.088 0.000 1.131 150 R CA 1.444 57.469 56.100 -0.125 0.000 0.955 150 R CB -0.467 29.633 30.300 -0.333 0.000 0.851 150 R HN 0.385 nan 8.270 nan 0.000 0.432 151 A N 0.550 123.343 122.820 -0.044 0.000 1.940 151 A HA -0.203 4.115 4.320 -0.002 0.000 0.219 151 A C 1.987 179.563 177.584 -0.013 0.000 1.176 151 A CA 1.391 53.435 52.037 0.012 0.000 0.631 151 A CB -0.830 18.265 19.000 0.159 0.000 0.814 151 A HN 0.580 nan 8.150 nan 0.000 0.446 152 F N -0.064 119.805 119.950 -0.135 0.000 2.134 152 F HA -0.110 4.416 4.527 -0.002 0.000 0.299 152 F C 1.766 177.499 175.800 -0.112 0.000 1.097 152 F CA 1.625 59.527 58.000 -0.163 0.000 1.264 152 F CB -0.359 38.498 39.000 -0.238 0.000 1.001 152 F HN 0.170 nan 8.300 nan 0.000 0.479 153 L N 0.811 121.917 121.223 -0.195 0.000 2.093 153 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 153 L C 2.038 178.796 176.870 -0.186 0.000 1.085 153 L CA 1.805 56.510 54.840 -0.224 0.000 0.755 153 L CB -0.846 41.195 42.059 -0.030 0.000 0.904 153 L HN 0.199 nan 8.230 nan 0.000 0.435 154 E N -0.799 119.296 120.200 -0.176 0.000 2.511 154 E HA 0.102 4.451 4.350 -0.002 0.000 0.196 154 E C 1.202 177.737 176.600 -0.109 0.000 1.066 154 E CA 0.527 56.816 56.400 -0.184 0.000 0.871 154 E CB -0.173 29.408 29.700 -0.198 0.000 0.863 154 E HN 0.545 nan 8.360 nan 0.000 0.520 155 G N 1.834 110.519 108.800 -0.191 0.000 2.147 155 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.244 155 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.244 155 G C 0.768 175.567 174.900 -0.170 0.000 1.005 155 G CA 0.370 45.353 45.100 -0.195 0.000 0.713 155 G HN 0.274 nan 8.290 nan 0.000 0.515 156 R N -1.169 119.235 120.500 -0.159 0.000 2.290 156 R HA 0.402 4.741 4.340 -0.002 0.000 0.197 156 R C 0.797 177.048 176.300 -0.082 0.000 0.913 156 R CA 0.371 56.404 56.100 -0.112 0.000 1.040 156 R CB 0.429 30.681 30.300 -0.081 0.000 0.992 156 R HN 0.429 nan 8.270 nan 0.000 0.500 157 L N 0.516 121.696 121.223 -0.072 0.000 2.388 157 L HA 0.340 4.679 4.340 -0.002 0.000 0.264 157 L C 0.229 177.132 176.870 0.055 0.000 0.998 157 L CA -0.901 53.897 54.840 -0.070 0.000 0.817 157 L CB 2.293 44.273 42.059 -0.132 0.000 1.338 157 L HN -0.006 nan 8.230 nan 0.000 0.414 158 T N -2.511 112.052 114.554 0.016 0.000 2.881 158 T HA 0.156 4.504 4.350 -0.002 0.000 0.278 158 T C 0.618 175.357 174.700 0.065 0.000 0.982 158 T CA -0.438 61.714 62.100 0.087 0.000 0.989 158 T CB 1.603 70.477 68.868 0.009 0.000 1.058 158 T HN 0.726 nan 8.240 nan 0.000 0.529 159 Q N 0.009 119.876 119.800 0.112 0.000 2.167 159 Q HA -0.146 4.193 4.340 -0.002 0.000 0.202 159 Q C 1.929 177.854 176.000 -0.124 0.000 0.970 159 Q CA 1.649 57.374 55.803 -0.131 0.000 0.855 159 Q CB -0.175 28.606 28.738 0.071 0.000 0.911 159 Q HN 0.863 nan 8.270 nan 0.000 0.438 160 E N 0.136 120.305 120.200 -0.051 0.000 2.110 160 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 160 E C 2.136 178.680 176.600 -0.093 0.000 0.988 160 E CA 1.272 57.642 56.400 -0.050 0.000 0.804 160 E CB 0.015 29.695 29.700 -0.033 0.000 0.745 160 E HN 0.505 nan 8.360 nan 0.000 0.458 161 Q N 0.433 120.153 119.800 -0.134 0.000 2.079 161 Q HA -0.116 4.223 4.340 -0.002 0.000 0.200 161 Q C 2.361 178.223 176.000 -0.230 0.000 0.974 161 Q CA 0.959 56.651 55.803 -0.185 0.000 0.840 161 Q CB -0.060 28.541 28.738 -0.228 0.000 0.898 161 Q HN 0.306 nan 8.270 nan 0.000 0.430 162 L N 0.823 121.854 121.223 -0.319 0.000 2.083 162 L HA -0.208 4.131 4.340 -0.002 0.000 0.209 162 L C 1.544 178.339 176.870 -0.124 0.000 1.083 162 L CA 0.831 55.446 54.840 -0.376 0.000 0.752 162 L CB -0.357 41.179 42.059 -0.871 0.000 0.899 162 L HN 0.223 nan 8.230 nan 0.000 0.433 163 D N -0.283 120.081 120.400 -0.061 0.000 2.348 163 D HA -0.083 4.555 4.640 -0.002 0.000 0.216 163 D C 1.035 177.341 176.300 0.011 0.000 0.970 163 D CA 0.730 54.748 54.000 0.030 0.000 0.889 163 D CB -0.065 40.754 40.800 0.033 0.000 0.912 163 D HN 0.272 nan 8.370 nan 0.000 0.524 164 N N 0.449 119.134 118.700 -0.024 0.000 2.320 164 N HA 0.001 4.740 4.740 -0.002 0.000 0.237 164 N C -0.230 175.266 175.510 -0.023 0.000 1.129 164 N CA -0.323 52.708 53.050 -0.032 0.000 0.854 164 N CB -0.088 38.364 38.487 -0.060 0.000 1.083 164 N HN 0.078 nan 8.380 nan 0.000 0.504 165 F N 2.230 122.097 119.950 -0.138 0.000 2.578 165 F HA 0.027 4.553 4.527 -0.002 0.000 0.381 165 F C 1.241 176.993 175.800 -0.079 0.000 1.069 165 F CA 0.156 58.073 58.000 -0.139 0.000 1.231 165 F CB 0.298 39.237 39.000 -0.101 0.000 1.086 165 F HN 0.160 nan 8.300 nan 0.000 0.564 166 R N 2.992 123.069 120.500 -0.704 0.000 3.770 166 R HA -0.224 4.115 4.340 -0.002 0.000 0.305 166 R C -0.730 175.422 176.300 -0.248 0.000 1.184 166 R CA 1.021 56.783 56.100 -0.564 0.000 0.823 166 R CB -1.809 28.058 30.300 -0.721 0.000 1.285 166 R HN 0.799 nan 8.270 nan 0.000 0.499 167 Q N 0.253 119.958 119.800 -0.158 0.000 3.021 167 Q HA 0.080 4.418 4.340 -0.002 0.000 0.234 167 Q C 0.171 176.150 176.000 -0.035 0.000 0.930 167 Q CA -0.225 55.537 55.803 -0.068 0.000 0.714 167 Q CB 1.135 29.846 28.738 -0.046 0.000 1.325 167 Q HN 0.423 nan 8.270 nan 0.000 0.473 168 E N -0.314 119.869 120.200 -0.028 0.000 2.526 168 E HA 0.059 4.408 4.350 -0.002 0.000 0.208 168 E C 0.946 177.549 176.600 0.005 0.000 0.997 168 E CA 0.014 56.407 56.400 -0.012 0.000 0.961 168 E CB 0.435 30.121 29.700 -0.023 0.000 1.030 168 E HN 0.164 nan 8.360 nan 0.000 0.483 169 V N 1.374 121.297 119.914 0.014 0.000 2.392 169 V HA -0.252 3.866 4.120 -0.002 0.000 0.249 169 V C 1.340 177.341 176.094 -0.155 0.000 1.059 169 V CA 2.121 64.379 62.300 -0.071 0.000 1.051 169 V CB -0.729 31.026 31.823 -0.113 0.000 0.658 169 V HN 0.414 nan 8.190 nan 0.000 0.455 170 H N -0.351 118.701 119.070 -0.029 0.000 2.533 170 H HA 0.374 4.929 4.556 -0.002 0.000 0.271 170 H C 1.708 177.020 175.328 -0.027 0.000 1.000 170 H CA 0.678 56.710 56.048 -0.026 0.000 1.149 170 H CB 0.055 29.801 29.762 -0.027 0.000 1.375 170 H HN 0.466 nan 8.280 nan 0.000 0.582 171 G N 0.569 109.395 108.800 0.044 0.000 2.234 171 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.235 171 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.235 171 G C 0.766 175.664 174.900 -0.002 0.000 0.997 171 G CA 0.193 45.301 45.100 0.014 0.000 0.623 171 G HN 0.515 nan 8.290 nan 0.000 0.514 172 N N 0.924 119.622 118.700 -0.003 0.000 2.480 172 N HA 0.427 5.166 4.740 -0.002 0.000 0.281 172 N C 0.728 176.198 175.510 -0.067 0.000 1.381 172 N CA 0.694 53.721 53.050 -0.038 0.000 0.903 172 N CB 0.188 38.656 38.487 -0.033 0.000 1.274 172 N HN 0.566 nan 8.380 nan 0.000 0.505 173 G N 0.107 108.865 108.800 -0.069 0.000 3.016 173 G HA2 0.653 4.612 3.960 -0.002 0.000 0.270 173 G HA3 0.653 4.612 3.960 -0.002 0.000 0.270 173 G C -0.976 173.831 174.900 -0.155 0.000 1.352 173 G CA -0.463 44.575 45.100 -0.103 0.000 1.060 173 G HN 0.133 nan 8.290 nan 0.000 0.538 174 L N 0.385 121.495 121.223 -0.189 0.000 2.365 174 L HA 0.424 4.762 4.340 -0.002 0.000 0.273 174 L C 0.192 177.008 176.870 -0.090 0.000 1.000 174 L CA -0.746 53.945 54.840 -0.248 0.000 0.819 174 L CB 2.237 43.928 42.059 -0.612 0.000 1.284 174 L HN 0.396 nan 8.230 nan 0.000 0.418 175 S N 0.112 115.891 115.700 0.131 0.000 2.585 175 S HA 0.040 4.509 4.470 -0.002 0.000 0.273 175 S C 1.235 175.892 174.600 0.094 0.000 1.339 175 S CA -0.180 58.115 58.200 0.158 0.000 1.028 175 S CB 1.517 64.923 63.200 0.344 0.000 0.906 175 S HN 0.844 nan 8.310 nan 0.000 0.528 176 S N 1.309 116.904 115.700 -0.175 0.000 2.359 176 S HA -0.094 4.375 4.470 -0.002 0.000 0.224 176 S C 0.127 174.420 174.600 -0.512 0.000 1.035 176 S CA 1.120 58.994 58.200 -0.544 0.000 1.018 176 S CB -0.498 62.182 63.200 -0.866 0.000 0.876 176 S HN 0.680 nan 8.310 nan 0.000 0.448 177 Y N 0.569 120.854 120.300 -0.025 0.000 2.698 177 Y HA 0.603 5.152 4.550 -0.002 0.000 0.332 177 Y C -3.000 172.317 175.900 -0.972 0.000 1.119 177 Y CA -3.219 54.634 58.100 -0.411 0.000 1.109 177 Y CB -0.090 38.157 38.460 -0.354 0.000 1.308 177 Y HN -0.165 nan 8.280 nan 0.000 0.499 178 P HA 0.121 nan 4.420 nan 0.000 0.269 178 P C -1.102 175.697 177.300 -0.836 0.000 1.263 178 P CA 0.666 62.768 63.100 -1.664 0.000 0.813 178 P CB -0.067 30.934 31.700 -1.164 0.000 0.868 179 H N 4.515 123.490 119.070 -0.158 0.000 2.953 179 H HA 0.190 4.745 4.556 -0.002 0.000 0.290 179 H C -1.992 173.458 175.328 0.203 0.000 1.113 179 H CA -1.921 54.172 56.048 0.076 0.000 1.454 179 H CB 1.394 31.211 29.762 0.092 0.000 1.525 179 H HN 0.212 nan 8.280 nan 0.000 0.505 180 P HA -0.211 nan 4.420 nan 0.000 0.216 180 P C 1.849 179.255 177.300 0.177 0.000 1.150 180 P CA 1.370 64.599 63.100 0.215 0.000 0.843 180 P CB 0.637 32.398 31.700 0.102 0.000 0.787 181 K N 0.090 120.577 120.400 0.147 0.000 2.074 181 K HA -0.132 4.187 4.320 -0.002 0.000 0.209 181 K C 1.797 178.455 176.600 0.097 0.000 1.048 181 K CA 1.614 57.954 56.287 0.089 0.000 0.926 181 K CB -1.099 31.418 32.500 0.027 0.000 0.713 181 K HN 0.105 nan 8.250 nan 0.000 0.444 182 L N -0.966 120.348 121.223 0.152 0.000 2.307 182 L HA 0.181 4.519 4.340 -0.002 0.000 0.211 182 L C 0.822 177.793 176.870 0.167 0.000 1.099 182 L CA 0.367 55.292 54.840 0.142 0.000 0.816 182 L CB 0.009 42.166 42.059 0.164 0.000 0.952 182 L HN 0.112 nan 8.230 nan 0.000 0.455 183 M N 0.767 120.515 119.600 0.247 0.000 2.353 183 M HA 0.215 4.694 4.480 -0.002 0.000 0.218 183 M C -1.806 174.623 176.300 0.214 0.000 1.044 183 M CA -1.202 54.237 55.300 0.232 0.000 0.615 183 M CB 1.680 34.483 32.600 0.338 0.000 1.531 183 M HN -0.243 nan 8.290 nan 0.000 0.378 184 P HA -0.179 nan 4.420 nan 0.000 0.220 184 P C 0.315 177.664 177.300 0.082 0.000 1.144 184 P CA 1.583 64.745 63.100 0.103 0.000 0.800 184 P CB 0.267 32.013 31.700 0.077 0.000 0.772 185 E N -3.159 117.096 120.200 0.091 0.000 2.498 185 E HA 0.117 4.466 4.350 -0.002 0.000 0.203 185 E C 1.079 177.737 176.600 0.095 0.000 1.013 185 E CA -0.203 56.240 56.400 0.072 0.000 0.927 185 E CB 0.029 29.767 29.700 0.063 0.000 1.012 185 E HN 0.231 nan 8.360 nan 0.000 0.482 186 F N -0.467 119.430 119.950 -0.088 0.000 2.515 186 F HA 0.256 4.782 4.527 -0.002 0.000 0.267 186 F C -0.205 175.455 175.800 -0.234 0.000 0.923 186 F CA -0.217 57.648 58.000 -0.225 0.000 1.107 186 F CB 0.254 39.037 39.000 -0.362 0.000 1.175 186 F HN -0.149 nan 8.300 nan 0.000 0.742 187 W N 2.191 123.572 121.300 0.134 0.000 2.202 187 W HA 0.306 4.965 4.660 -0.002 0.000 0.332 187 W C 1.107 177.518 176.519 -0.180 0.000 1.263 187 W CA -0.152 57.175 57.345 -0.029 0.000 1.223 187 W CB 0.775 30.297 29.460 0.102 0.000 1.128 187 W HN 0.170 nan 8.180 nan 0.000 0.573 188 Q N 0.791 120.572 119.800 -0.032 0.000 2.532 188 Q HA 0.163 4.502 4.340 -0.002 0.000 0.247 188 Q C -0.569 174.888 176.000 -0.904 0.000 0.872 188 Q CA 0.377 55.802 55.803 -0.630 0.000 0.963 188 Q CB 0.590 28.678 28.738 -1.084 0.000 1.159 188 Q HN 0.313 nan 8.270 nan 0.000 0.598 189 F N 1.111 121.037 119.950 -0.040 0.000 2.507 189 F HA 0.423 4.948 4.527 -0.002 0.000 0.328 189 F C -2.438 173.337 175.800 -0.041 0.000 1.136 189 F CA -3.109 54.810 58.000 -0.135 0.000 0.930 189 F CB 1.264 39.898 39.000 -0.610 0.000 1.166 189 F HN -0.224 nan 8.300 nan 0.000 0.436 190 P HA 0.185 nan 4.420 nan 0.000 0.276 190 P C 0.543 177.936 177.300 0.154 0.000 1.253 190 P CA 0.081 63.252 63.100 0.118 0.000 0.766 190 P CB 0.847 32.669 31.700 0.202 0.000 0.845 191 T N -1.500 113.092 114.554 0.062 0.000 2.975 191 T HA 0.007 4.356 4.350 -0.002 0.000 0.261 191 T C 1.432 176.149 174.700 0.028 0.000 0.984 191 T CA 0.096 62.254 62.100 0.097 0.000 0.911 191 T CB -0.586 68.361 68.868 0.132 0.000 1.127 191 T HN 0.101 nan 8.240 nan 0.000 0.514 192 V N 2.107 121.981 119.914 -0.066 0.000 2.568 192 V HA 0.038 4.157 4.120 -0.002 0.000 0.253 192 V C 1.239 177.295 176.094 -0.062 0.000 1.072 192 V CA 1.610 63.813 62.300 -0.162 0.000 1.084 192 V CB -0.478 31.075 31.823 -0.450 0.000 0.676 192 V HN 0.586 nan 8.190 nan 0.000 0.469 193 S N 2.571 118.291 115.700 0.033 0.000 2.423 193 S HA 0.255 4.723 4.470 -0.002 0.000 0.302 193 S C 0.261 174.885 174.600 0.040 0.000 1.143 193 S CA -0.591 57.638 58.200 0.049 0.000 1.080 193 S CB -0.354 62.908 63.200 0.104 0.000 1.081 193 S HN 0.429 nan 8.310 nan 0.000 0.522 194 M N 4.029 123.638 119.600 0.015 0.000 2.240 194 M HA 0.078 4.556 4.480 -0.002 0.000 0.346 194 M C 1.731 178.044 176.300 0.023 0.000 1.236 194 M CA 1.479 56.790 55.300 0.019 0.000 0.986 194 M CB -1.018 31.584 32.600 0.004 0.000 1.786 194 M HN 0.989 nan 8.290 nan 0.000 0.457 195 G N 2.385 111.196 108.800 0.019 0.000 2.358 195 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.224 195 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.224 195 G C 0.803 175.720 174.900 0.027 0.000 1.073 195 G CA 0.274 45.383 45.100 0.017 0.000 0.635 195 G HN 0.603 nan 8.290 nan 0.000 0.509 196 L N 1.343 122.594 121.223 0.047 0.000 2.093 196 L HA 0.112 4.451 4.340 -0.002 0.000 0.208 196 L C 3.128 180.038 176.870 0.066 0.000 1.085 196 L CA 1.695 56.576 54.840 0.067 0.000 0.755 196 L CB -0.991 41.129 42.059 0.101 0.000 0.904 196 L HN 0.424 nan 8.230 nan 0.000 0.435 197 G N 1.188 110.027 108.800 0.065 0.000 2.459 197 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.217 197 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.217 197 G C -0.435 174.376 174.900 -0.148 0.000 1.183 197 G CA 0.850 45.979 45.100 0.047 0.000 0.776 197 G HN 0.325 nan 8.290 nan 0.000 0.552 198 P HA -0.083 nan 4.420 nan 0.000 0.215 198 P C 2.072 179.433 177.300 0.102 0.000 1.157 198 P CA 0.891 63.880 63.100 -0.186 0.000 0.863 198 P CB -0.046 31.512 31.700 -0.236 0.000 0.787 199 I N -0.314 120.321 120.570 0.109 0.000 2.394 199 I HA -0.084 4.085 4.170 -0.002 0.000 0.251 199 I C 2.283 178.507 176.117 0.178 0.000 1.136 199 I CA 1.493 62.909 61.300 0.192 0.000 1.425 199 I CB -0.680 37.409 38.000 0.149 0.000 1.079 199 I HN -0.096 nan 8.210 nan 0.000 0.425 200 G N 0.240 109.063 108.800 0.039 0.000 2.418 200 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.217 200 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.217 200 G C 1.741 176.544 174.900 -0.161 0.000 1.158 200 G CA 0.681 45.784 45.100 0.005 0.000 0.771 200 G HN 0.536 nan 8.290 nan 0.000 0.545 201 A N 0.697 123.212 122.820 -0.509 0.000 1.933 201 A HA 0.055 4.373 4.320 -0.002 0.000 0.218 201 A C 2.394 179.874 177.584 -0.173 0.000 1.175 201 A CA 1.221 52.859 52.037 -0.664 0.000 0.628 201 A CB -0.347 18.200 19.000 -0.755 0.000 0.814 201 A HN 0.384 nan 8.150 nan 0.000 0.444 202 I N -1.977 118.589 120.570 -0.007 0.000 2.163 202 I HA -0.304 3.865 4.170 -0.002 0.000 0.243 202 I C 2.259 178.257 176.117 -0.199 0.000 1.085 202 I CA 1.624 62.876 61.300 -0.081 0.000 1.347 202 I CB -0.411 37.551 38.000 -0.063 0.000 1.044 202 I HN 0.409 nan 8.210 nan 0.000 0.408 203 Y N 0.171 120.456 120.300 -0.024 0.000 2.439 203 Y HA -0.205 4.343 4.550 -0.002 0.000 0.292 203 Y C 2.592 178.507 175.900 0.027 0.000 1.130 203 Y CA 0.950 59.049 58.100 -0.002 0.000 1.254 203 Y CB -0.298 38.151 38.460 -0.018 0.000 1.000 203 Y HN 0.209 nan 8.280 nan 0.000 0.554 204 Q N 0.646 120.504 119.800 0.097 0.000 2.049 204 Q HA -0.100 4.239 4.340 -0.002 0.000 0.198 204 Q C 2.344 178.407 176.000 0.105 0.000 0.971 204 Q CA 1.777 57.647 55.803 0.111 0.000 0.833 204 Q CB -0.463 28.305 28.738 0.049 0.000 0.896 204 Q HN 0.341 nan 8.270 nan 0.000 0.434 205 A N 0.785 123.604 122.820 -0.001 0.000 1.933 205 A HA -0.210 4.108 4.320 -0.002 0.000 0.218 205 A C 2.076 179.639 177.584 -0.035 0.000 1.175 205 A CA 1.807 53.816 52.037 -0.047 0.000 0.628 205 A CB -0.661 18.262 19.000 -0.128 0.000 0.814 205 A HN 0.445 nan 8.150 nan 0.000 0.444 206 K N -1.670 118.710 120.400 -0.034 0.000 2.057 206 K HA -0.144 4.175 4.320 -0.002 0.000 0.206 206 K C 1.793 178.448 176.600 0.091 0.000 1.050 206 K CA 1.534 57.822 56.287 0.003 0.000 0.935 206 K CB -0.340 32.125 32.500 -0.058 0.000 0.715 206 K HN 0.340 nan 8.250 nan 0.000 0.439 207 F N 1.908 121.848 119.950 -0.017 0.000 2.171 207 F HA -0.128 4.398 4.527 -0.002 0.000 0.300 207 F C 1.642 177.468 175.800 0.044 0.000 1.090 207 F CA 1.253 59.245 58.000 -0.014 0.000 1.293 207 F CB -0.108 38.882 39.000 -0.017 0.000 1.013 207 F HN -0.017 nan 8.300 nan 0.000 0.486 208 L N -0.197 121.027 121.223 0.001 0.000 2.046 208 L HA -0.231 4.107 4.340 -0.002 0.000 0.208 208 L C 2.552 179.318 176.870 -0.174 0.000 1.077 208 L CA 1.165 55.951 54.840 -0.091 0.000 0.747 208 L CB -0.734 41.316 42.059 -0.015 0.000 0.896 208 L HN -0.009 nan 8.230 nan 0.000 0.432 209 K N -0.359 119.953 120.400 -0.146 0.000 2.057 209 K HA -0.224 4.095 4.320 -0.002 0.000 0.207 209 K C 2.062 178.508 176.600 -0.258 0.000 1.049 209 K CA 1.539 57.679 56.287 -0.245 0.000 0.931 209 K CB -0.604 31.808 32.500 -0.147 0.000 0.714 209 K HN 0.274 nan 8.250 nan 0.000 0.440 210 Y N 1.536 121.643 120.300 -0.322 0.000 2.128 210 Y HA -0.248 4.301 4.550 -0.002 0.000 0.284 210 Y C 2.049 177.681 175.900 -0.447 0.000 1.154 210 Y CA 1.245 59.030 58.100 -0.526 0.000 1.149 210 Y CB -0.327 37.648 38.460 -0.808 0.000 0.976 210 Y HN -0.120 nan 8.280 nan 0.000 0.505 211 L N 0.949 121.898 121.223 -0.457 0.000 2.079 211 L HA -0.202 4.136 4.340 -0.002 0.000 0.210 211 L C 2.537 179.235 176.870 -0.287 0.000 1.081 211 L CA 2.208 56.792 54.840 -0.427 0.000 0.752 211 L CB -1.114 40.731 42.059 -0.356 0.000 0.896 211 L HN 0.463 nan 8.230 nan 0.000 0.433 212 E N -1.389 118.664 120.200 -0.245 0.000 2.046 212 E HA -0.209 4.140 4.350 -0.002 0.000 0.190 212 E C 2.106 178.654 176.600 -0.087 0.000 0.982 212 E CA 1.057 57.354 56.400 -0.171 0.000 0.800 212 E CB -0.143 29.434 29.700 -0.204 0.000 0.756 212 E HN 0.641 nan 8.360 nan 0.000 0.449 213 H N -0.523 118.494 119.070 -0.088 0.000 2.456 213 H HA 0.034 4.589 4.556 -0.001 0.000 0.296 213 H C 1.690 176.957 175.328 -0.102 0.000 1.079 213 H CA 0.688 56.715 56.048 -0.034 0.000 1.322 213 H CB 0.231 30.072 29.762 0.131 0.000 1.388 213 H HN 0.008 nan 8.280 nan 0.000 0.538 214 R N 0.118 120.540 120.500 -0.130 0.000 2.310 214 R HA 0.054 4.392 4.340 -0.002 0.000 0.202 214 R C 0.936 177.150 176.300 -0.143 0.000 0.933 214 R CA 0.479 56.449 56.100 -0.216 0.000 1.054 214 R CB 0.635 30.633 30.300 -0.504 0.000 0.985 214 R HN 0.410 nan 8.270 nan 0.000 0.489 215 G N 1.320 110.061 108.800 -0.099 0.000 2.179 215 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.257 215 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.257 215 G C 0.636 175.489 174.900 -0.079 0.000 1.010 215 G CA 0.220 45.279 45.100 -0.069 0.000 0.736 215 G HN 0.314 nan 8.290 nan 0.000 0.513 216 L N -1.261 119.893 121.223 -0.115 0.000 2.209 216 L HA 0.369 4.708 4.340 -0.002 0.000 0.207 216 L C 1.314 178.144 176.870 -0.065 0.000 1.094 216 L CA 1.426 56.210 54.840 -0.094 0.000 0.790 216 L CB 0.181 42.164 42.059 -0.126 0.000 0.932 216 L HN 0.317 nan 8.230 nan 0.000 0.447 217 K N -0.254 120.100 120.400 -0.077 0.000 2.589 217 K HA 0.083 4.402 4.320 -0.002 0.000 0.265 217 K C -1.805 174.762 176.600 -0.055 0.000 0.935 217 K CA -0.663 55.595 56.287 -0.049 0.000 0.850 217 K CB 1.868 34.349 32.500 -0.032 0.000 1.372 217 K HN -0.246 nan 8.250 nan 0.000 0.420 218 D N 2.116 122.496 120.400 -0.032 0.000 2.374 218 D HA 0.088 4.727 4.640 -0.002 0.000 0.240 218 D C 0.524 176.810 176.300 -0.024 0.000 1.229 218 D CA 0.041 54.022 54.000 -0.031 0.000 0.895 218 D CB 1.035 41.827 40.800 -0.015 0.000 1.046 218 D HN 0.515 nan 8.370 nan 0.000 0.498 219 T N -0.544 113.984 114.554 -0.043 0.000 3.092 219 T HA 0.013 4.362 4.350 -0.002 0.000 0.258 219 T C 1.707 176.388 174.700 -0.030 0.000 1.031 219 T CA 0.234 62.316 62.100 -0.029 0.000 0.925 219 T CB -0.249 68.591 68.868 -0.048 0.000 1.036 219 T HN 0.233 nan 8.240 nan 0.000 0.544 220 S N 2.188 117.866 115.700 -0.036 0.000 2.440 220 S HA -0.138 4.331 4.470 -0.002 0.000 0.240 220 S C 1.598 176.192 174.600 -0.010 0.000 1.014 220 S CA 0.756 58.936 58.200 -0.033 0.000 0.980 220 S CB -0.536 62.648 63.200 -0.027 0.000 0.775 220 S HN 0.624 nan 8.310 nan 0.000 0.499 221 K N 0.774 121.182 120.400 0.014 0.000 2.404 221 K HA 0.235 4.553 4.320 -0.002 0.000 0.194 221 K C 0.310 176.941 176.600 0.052 0.000 1.023 221 K CA 0.042 56.352 56.287 0.039 0.000 1.094 221 K CB 0.223 32.761 32.500 0.063 0.000 0.841 221 K HN 0.513 nan 8.250 nan 0.000 0.523 222 Q N 0.658 120.478 119.800 0.034 0.000 2.241 222 Q HA 0.231 4.570 4.340 -0.002 0.000 0.254 222 Q C -0.737 175.268 176.000 0.008 0.000 0.917 222 Q CA -0.124 55.706 55.803 0.046 0.000 0.919 222 Q CB 1.941 30.707 28.738 0.047 0.000 1.237 222 Q HN -0.066 nan 8.270 nan 0.000 0.434 223 T N 1.358 115.922 114.554 0.018 0.000 2.863 223 T HA 0.425 4.774 4.350 -0.002 0.000 0.285 223 T C -0.664 173.958 174.700 -0.129 0.000 1.009 223 T CA -0.547 61.483 62.100 -0.116 0.000 0.989 223 T CB 1.395 70.144 68.868 -0.198 0.000 1.004 223 T HN 0.240 nan 8.240 nan 0.000 0.455 224 V N 3.749 123.538 119.914 -0.209 0.000 2.370 224 V HA 0.417 4.536 4.120 -0.002 0.000 0.279 224 V C -1.166 174.814 176.094 -0.191 0.000 1.029 224 V CA -0.711 61.535 62.300 -0.091 0.000 0.870 224 V CB 0.440 32.229 31.823 -0.057 0.000 0.984 224 V HN 0.792 nan 8.190 nan 0.000 0.451 225 Y N 2.722 123.076 120.300 0.091 0.000 2.335 225 Y HA 0.707 5.255 4.550 -0.002 0.000 0.338 225 Y C 0.366 176.321 175.900 0.091 0.000 0.977 225 Y CA -0.621 57.524 58.100 0.074 0.000 1.114 225 Y CB 1.990 40.560 38.460 0.182 0.000 1.182 225 Y HN 0.660 nan 8.280 nan 0.000 0.463 226 A N 4.473 127.346 122.820 0.088 0.000 2.285 226 A HA 0.682 5.000 4.320 -0.002 0.000 0.310 226 A C -1.540 175.936 177.584 -0.179 0.000 1.266 226 A CA -0.526 51.492 52.037 -0.032 0.000 0.832 226 A CB -0.109 18.703 19.000 -0.313 0.000 1.163 226 A HN 0.607 nan 8.150 nan 0.000 0.499 227 F N 2.869 122.829 119.950 0.018 0.000 2.391 227 F HA 0.572 5.097 4.527 -0.002 0.000 0.359 227 F C 0.192 175.970 175.800 -0.038 0.000 1.122 227 F CA -0.072 57.934 58.000 0.009 0.000 1.120 227 F CB 1.088 40.167 39.000 0.132 0.000 1.142 227 F HN 0.388 nan 8.300 nan 0.000 0.483 228 L N 2.047 123.270 121.223 0.001 0.000 2.279 228 L HA 0.877 5.216 4.340 -0.002 0.000 0.262 228 L C 0.381 177.258 176.870 0.011 0.000 1.019 228 L CA -1.207 53.611 54.840 -0.037 0.000 0.823 228 L CB 1.804 43.749 42.059 -0.189 0.000 1.358 228 L HN 0.611 nan 8.230 nan 0.000 0.432 229 G N -1.005 107.819 108.800 0.040 0.000 2.441 229 G HA2 0.392 4.351 3.960 -0.002 0.000 0.334 229 G HA3 0.392 4.351 3.960 -0.002 0.000 0.334 229 G C -0.124 174.791 174.900 0.024 0.000 1.161 229 G CA -0.300 44.840 45.100 0.067 0.000 0.935 229 G HN 0.771 nan 8.290 nan 0.000 0.488 230 D N 0.144 120.557 120.400 0.021 0.000 2.183 230 D HA -0.054 4.585 4.640 -0.002 0.000 0.203 230 D C 2.167 178.480 176.300 0.021 0.000 0.969 230 D CA 1.141 55.145 54.000 0.006 0.000 0.842 230 D CB -0.598 40.203 40.800 0.002 0.000 0.957 230 D HN 0.488 nan 8.370 nan 0.000 0.484 231 G N 0.494 109.316 108.800 0.036 0.000 2.432 231 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.219 231 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.219 231 G C 1.453 176.368 174.900 0.024 0.000 1.135 231 G CA 0.719 45.839 45.100 0.032 0.000 0.767 231 G HN 0.484 nan 8.290 nan 0.000 0.550 232 E N -0.154 120.064 120.200 0.029 0.000 2.204 232 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 232 E C 2.222 178.828 176.600 0.011 0.000 0.989 232 E CA 0.620 57.032 56.400 0.020 0.000 0.824 232 E CB -0.123 29.595 29.700 0.030 0.000 0.756 232 E HN 0.249 nan 8.360 nan 0.000 0.477 233 M N 1.031 120.639 119.600 0.013 0.000 2.539 233 M HA -0.099 4.380 4.480 -0.002 0.000 0.261 233 M C 0.945 177.255 176.300 0.017 0.000 1.069 233 M CA 1.065 56.379 55.300 0.023 0.000 1.081 233 M CB -0.671 31.955 32.600 0.044 0.000 1.412 233 M HN 0.062 nan 8.290 nan 0.000 0.482 234 D N 0.950 121.357 120.400 0.012 0.000 2.269 234 D HA 0.077 4.716 4.640 -0.002 0.000 0.208 234 D C 0.624 176.926 176.300 0.003 0.000 0.963 234 D CA 0.476 54.480 54.000 0.007 0.000 0.864 234 D CB 0.078 40.883 40.800 0.009 0.000 0.936 234 D HN 0.299 nan 8.370 nan 0.000 0.505 235 A N 0.983 123.806 122.820 0.004 0.000 2.524 235 A HA 0.183 4.502 4.320 -0.002 0.000 0.250 235 A C -1.368 176.216 177.584 0.000 0.000 1.078 235 A CA -0.867 51.172 52.037 0.003 0.000 0.761 235 A CB 0.368 19.372 19.000 0.007 0.000 1.012 235 A HN -0.009 nan 8.150 nan 0.000 0.500 236 P HA -0.183 nan 4.420 nan 0.000 0.217 236 P C 0.707 178.004 177.300 -0.005 0.000 1.148 236 P CA 1.610 64.705 63.100 -0.009 0.000 0.828 236 P CB 0.199 31.893 31.700 -0.010 0.000 0.783 237 E N -1.371 118.832 120.200 0.006 0.000 2.427 237 E HA -0.029 4.320 4.350 -0.002 0.000 0.196 237 E C 1.925 178.547 176.600 0.037 0.000 1.028 237 E CA 0.627 57.039 56.400 0.020 0.000 0.864 237 E CB -0.552 29.160 29.700 0.021 0.000 0.813 237 E HN 0.179 nan 8.360 nan 0.000 0.514 238 S N 0.570 116.286 115.700 0.026 0.000 2.371 238 S HA -0.041 4.428 4.470 -0.002 0.000 0.224 238 S C 1.482 176.123 174.600 0.068 0.000 1.029 238 S CA 1.025 59.250 58.200 0.042 0.000 0.978 238 S CB 0.064 63.276 63.200 0.020 0.000 0.833 238 S HN 0.188 nan 8.310 nan 0.000 0.466 239 K N 0.218 120.611 120.400 -0.012 0.000 2.373 239 K HA 0.214 4.533 4.320 -0.002 0.000 0.200 239 K C 1.955 178.477 176.600 -0.130 0.000 1.054 239 K CA 0.341 56.546 56.287 -0.138 0.000 1.065 239 K CB 0.235 32.610 32.500 -0.209 0.000 0.886 239 K HN 0.309 nan 8.250 nan 0.000 0.546 240 G N 1.488 110.258 108.800 -0.050 0.000 2.479 240 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 240 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 240 G C 1.206 176.101 174.900 -0.009 0.000 1.115 240 G CA 1.029 46.109 45.100 -0.033 0.000 0.757 240 G HN 0.312 nan 8.290 nan 0.000 0.560 241 A N 0.245 123.082 122.820 0.028 0.000 2.538 241 A HA 0.421 4.740 4.320 -0.002 0.000 0.269 241 A C 1.891 179.505 177.584 0.049 0.000 1.231 241 A CA 0.169 52.251 52.037 0.075 0.000 0.948 241 A CB -0.122 18.997 19.000 0.199 0.000 1.110 241 A HN 0.505 nan 8.150 nan 0.000 0.529 242 I N -1.787 118.767 120.570 -0.027 0.000 2.567 242 I HA -0.146 4.023 4.170 -0.002 0.000 0.257 242 I C 1.995 178.214 176.117 0.169 0.000 1.184 242 I CA 1.900 63.209 61.300 0.016 0.000 1.451 242 I CB -0.952 36.745 38.000 -0.504 0.000 1.089 242 I HN 0.241 nan 8.210 nan 0.000 0.441 243 T N -0.536 114.039 114.554 0.034 0.000 2.962 243 T HA 0.012 4.361 4.350 -0.002 0.000 0.270 243 T C 1.835 176.543 174.700 0.013 0.000 1.088 243 T CA 0.629 62.753 62.100 0.040 0.000 1.127 243 T CB -0.409 68.455 68.868 -0.007 0.000 0.883 243 T HN 0.295 nan 8.240 nan 0.000 0.493 244 I N 2.371 122.938 120.570 -0.006 0.000 2.286 244 I HA -0.001 4.168 4.170 -0.002 0.000 0.248 244 I C 3.056 179.086 176.117 -0.144 0.000 1.115 244 I CA 0.956 62.211 61.300 -0.075 0.000 1.392 244 I CB -1.808 36.117 38.000 -0.124 0.000 1.065 244 I HN 0.383 nan 8.210 nan 0.000 0.418 245 A N 0.364 123.096 122.820 -0.147 0.000 1.972 245 A HA -0.169 4.150 4.320 -0.002 0.000 0.219 245 A C 2.436 179.804 177.584 -0.360 0.000 1.169 245 A CA 2.218 54.059 52.037 -0.328 0.000 0.635 245 A CB -0.889 17.790 19.000 -0.536 0.000 0.810 245 A HN 0.412 nan 8.150 nan 0.000 0.446 246 T N -0.615 113.795 114.554 -0.240 0.000 2.809 246 T HA -0.066 4.283 4.350 -0.002 0.000 0.260 246 T C 2.069 176.685 174.700 -0.141 0.000 1.039 246 T CA 1.208 63.188 62.100 -0.198 0.000 1.141 246 T CB -0.195 68.625 68.868 -0.080 0.000 0.869 246 T HN 0.505 nan 8.240 nan 0.000 0.437 247 R N 1.127 121.566 120.500 -0.103 0.000 2.103 247 R HA -0.065 4.274 4.340 -0.002 0.000 0.242 247 R C 1.902 178.144 176.300 -0.096 0.000 1.142 247 R CA 1.135 57.185 56.100 -0.083 0.000 0.960 247 R CB -0.130 30.133 30.300 -0.061 0.000 0.858 247 R HN 0.317 nan 8.270 nan 0.000 0.439 248 E N 0.798 120.928 120.200 -0.116 0.000 2.476 248 E HA 0.013 4.362 4.350 -0.002 0.000 0.191 248 E C -0.316 176.213 176.600 -0.120 0.000 1.064 248 E CA 0.041 56.382 56.400 -0.100 0.000 0.866 248 E CB 0.167 29.813 29.700 -0.090 0.000 0.952 248 E HN 0.214 nan 8.360 nan 0.000 0.492 249 K N 0.928 121.232 120.400 -0.159 0.000 3.730 249 K HA -0.180 4.139 4.320 -0.002 0.000 0.276 249 K C -0.293 176.186 176.600 -0.203 0.000 0.904 249 K CA 0.183 56.363 56.287 -0.179 0.000 0.741 249 K CB -1.658 30.770 32.500 -0.119 0.000 1.542 249 K HN 0.194 nan 8.250 nan 0.000 0.446 250 L N 2.267 123.317 121.223 -0.287 0.000 2.391 250 L HA 0.032 4.370 4.340 -0.002 0.000 0.249 250 L C 0.936 177.606 176.870 -0.334 0.000 1.308 250 L CA -0.243 54.419 54.840 -0.296 0.000 1.209 250 L CB -0.316 41.534 42.059 -0.348 0.000 1.401 250 L HN 0.321 nan 8.230 nan 0.000 0.416 251 D N -0.916 119.333 120.400 -0.252 0.000 2.338 251 D HA -0.115 4.524 4.640 -0.002 0.000 0.239 251 D C 0.969 177.140 176.300 -0.215 0.000 1.095 251 D CA 0.073 53.930 54.000 -0.239 0.000 0.888 251 D CB -0.115 40.580 40.800 -0.175 0.000 0.899 251 D HN 0.414 nan 8.370 nan 0.000 0.525 252 N N 0.204 118.772 118.700 -0.221 0.000 2.275 252 N HA 0.111 4.850 4.740 -0.002 0.000 0.236 252 N C -0.502 174.860 175.510 -0.246 0.000 1.154 252 N CA -0.494 52.438 53.050 -0.197 0.000 0.866 252 N CB 0.314 38.714 38.487 -0.145 0.000 1.093 252 N HN 0.205 nan 8.380 nan 0.000 0.515 253 L N 0.218 121.260 121.223 -0.302 0.000 2.385 253 L HA 0.666 5.005 4.340 -0.002 0.000 0.273 253 L C -1.479 175.201 176.870 -0.316 0.000 0.990 253 L CA -0.833 53.822 54.840 -0.307 0.000 0.821 253 L CB 2.279 44.131 42.059 -0.345 0.000 1.279 253 L HN -0.120 nan 8.230 nan 0.000 0.412 254 V N 5.185 124.962 119.914 -0.228 0.000 2.525 254 V HA 0.469 4.587 4.120 -0.002 0.000 0.299 254 V C -0.874 175.309 176.094 0.147 0.000 1.034 254 V CA -0.467 61.756 62.300 -0.128 0.000 0.863 254 V CB 1.532 33.211 31.823 -0.239 0.000 0.999 254 V HN 0.499 nan 8.190 nan 0.000 0.423 255 F N 3.771 123.692 119.950 -0.049 0.000 2.408 255 F HA 0.639 5.165 4.527 -0.002 0.000 0.344 255 F C 0.192 175.815 175.800 -0.296 0.000 1.112 255 F CA -1.152 56.779 58.000 -0.115 0.000 1.096 255 F CB 1.970 40.932 39.000 -0.063 0.000 1.129 255 F HN 0.174 nan 8.300 nan 0.000 0.486 256 V N 6.285 126.029 119.914 -0.283 0.000 2.349 256 V HA 0.367 4.485 4.120 -0.002 0.000 0.284 256 V C -0.057 175.865 176.094 -0.286 0.000 1.014 256 V CA -0.607 61.456 62.300 -0.394 0.000 0.826 256 V CB 1.286 32.677 31.823 -0.721 0.000 1.009 256 V HN 0.456 nan 8.190 nan 0.000 0.431 257 I N 4.074 124.495 120.570 -0.249 0.000 2.312 257 I HA 0.341 4.509 4.170 -0.002 0.000 0.290 257 I C 0.250 176.285 176.117 -0.136 0.000 1.008 257 I CA -0.411 60.776 61.300 -0.188 0.000 1.226 257 I CB 1.274 39.139 38.000 -0.226 0.000 1.371 257 I HN 0.476 nan 8.210 nan 0.000 0.468 258 N N 6.458 125.121 118.700 -0.061 0.000 2.402 258 N HA 0.105 4.844 4.740 -0.002 0.000 0.259 258 N C -0.872 174.620 175.510 -0.031 0.000 1.167 258 N CA -0.246 52.782 53.050 -0.035 0.000 0.949 258 N CB 0.412 38.919 38.487 0.034 0.000 1.212 258 N HN 0.534 nan 8.380 nan 0.000 0.493 259 C N 4.271 123.535 119.300 -0.059 0.000 2.116 259 C HA 0.237 4.696 4.460 -0.002 0.000 0.367 259 C C 1.147 176.163 174.990 0.044 0.000 1.039 259 C CA -0.927 58.072 59.018 -0.032 0.000 1.465 259 C CB -1.765 25.912 27.740 -0.105 0.000 1.783 259 C HN 0.727 nan 8.230 nan 0.000 0.470 260 N N 1.298 120.033 118.700 0.058 0.000 2.268 260 N HA 0.158 4.897 4.740 -0.002 0.000 0.204 260 N C 0.784 176.359 175.510 0.109 0.000 1.124 260 N CA -0.298 52.804 53.050 0.087 0.000 0.838 260 N CB -0.399 38.142 38.487 0.090 0.000 0.994 260 N HN 0.650 nan 8.380 nan 0.000 0.489 261 L N -2.777 118.504 121.223 0.097 0.000 5.051 261 L HA -0.336 4.003 4.340 -0.002 0.000 0.432 261 L C -0.748 176.175 176.870 0.089 0.000 1.055 261 L CA 1.295 56.194 54.840 0.098 0.000 1.095 261 L CB -1.851 40.294 42.059 0.143 0.000 1.957 261 L HN 0.414 nan 8.230 nan 0.000 0.727 262 Q N -0.774 119.078 119.800 0.087 0.000 2.375 262 Q HA 0.530 4.869 4.340 -0.002 0.000 0.271 262 Q C 0.402 176.448 176.000 0.076 0.000 1.074 262 Q CA -0.711 55.141 55.803 0.082 0.000 0.808 262 Q CB 2.202 30.994 28.738 0.091 0.000 1.327 262 Q HN 0.242 nan 8.270 nan 0.000 0.441 263 R N 1.002 121.539 120.500 0.063 0.000 1.909 263 R HA 0.287 4.626 4.340 -0.002 0.000 0.173 263 R C 1.045 177.378 176.300 0.056 0.000 1.536 263 R CA -0.139 55.993 56.100 0.054 0.000 1.352 263 R CB -0.235 30.087 30.300 0.038 0.000 0.888 263 R HN 0.542 nan 8.270 nan 0.000 0.503 264 L N -1.062 120.188 121.223 0.045 0.000 2.678 264 L HA 0.287 4.625 4.340 -0.002 0.000 0.211 264 L C -0.210 176.692 176.870 0.053 0.000 1.043 264 L CA 0.225 55.096 54.840 0.051 0.000 0.881 264 L CB 1.131 43.210 42.059 0.034 0.000 1.361 264 L HN 0.275 nan 8.230 nan 0.000 0.484 265 D N 1.334 121.760 120.400 0.043 0.000 3.123 265 D HA 0.522 5.161 4.640 -0.002 0.000 0.305 265 D C 0.209 176.533 176.300 0.039 0.000 1.373 265 D CA 0.752 54.776 54.000 0.040 0.000 0.889 265 D CB 0.786 41.606 40.800 0.032 0.000 1.070 265 D HN 0.464 nan 8.370 nan 0.000 0.494 266 G N 1.758 110.586 108.800 0.046 0.000 2.331 266 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.402 266 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.402 266 G C -3.130 171.801 174.900 0.052 0.000 1.275 266 G CA -1.076 44.052 45.100 0.046 0.000 1.003 266 G HN -0.033 nan 8.290 nan 0.000 0.500 267 P HA 0.418 nan 4.420 nan 0.000 0.276 267 P C 1.163 178.493 177.300 0.050 0.000 1.252 267 P CA -0.129 63.007 63.100 0.060 0.000 0.802 267 P CB 1.562 33.302 31.700 0.067 0.000 1.035 268 V N 0.532 120.477 119.914 0.050 0.000 2.307 268 V HA -0.072 4.047 4.120 -0.002 0.000 0.245 268 V C 1.359 177.475 176.094 0.036 0.000 1.045 268 V CA 2.537 64.861 62.300 0.040 0.000 1.024 268 V CB -1.317 30.529 31.823 0.037 0.000 0.651 268 V HN 0.855 nan 8.190 nan 0.000 0.449 269 T N -2.841 111.739 114.554 0.043 0.000 3.223 269 T HA 0.458 4.807 4.350 -0.002 0.000 0.334 269 T C 0.808 175.538 174.700 0.050 0.000 0.940 269 T CA 0.127 62.250 62.100 0.039 0.000 1.272 269 T CB 0.730 69.618 68.868 0.033 0.000 0.982 269 T HN 0.258 nan 8.240 nan 0.000 0.512 270 G N 2.429 111.258 108.800 0.049 0.000 2.440 270 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.218 270 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.218 270 G C 1.326 176.256 174.900 0.051 0.000 1.154 270 G CA 0.364 45.498 45.100 0.056 0.000 0.767 270 G HN 0.634 nan 8.290 nan 0.000 0.552 271 N N 1.154 119.877 118.700 0.039 0.000 2.461 271 N HA 0.089 4.828 4.740 -0.002 0.000 0.188 271 N C 1.078 176.607 175.510 0.031 0.000 1.134 271 N CA 0.759 53.828 53.050 0.032 0.000 0.878 271 N CB 0.614 39.116 38.487 0.024 0.000 0.972 271 N HN 0.387 nan 8.380 nan 0.000 0.456 272 G N -0.109 108.713 108.800 0.037 0.000 3.257 272 G HA2 0.524 4.483 3.960 -0.002 0.000 0.205 272 G HA3 0.524 4.483 3.960 -0.002 0.000 0.205 272 G C -1.043 173.880 174.900 0.038 0.000 1.234 272 G CA -0.460 44.658 45.100 0.030 0.000 0.918 272 G HN -0.051 nan 8.290 nan 0.000 0.602 273 K N 0.425 120.842 120.400 0.028 0.000 2.664 273 K HA 0.265 4.584 4.320 -0.002 0.000 0.234 273 K C 0.385 177.009 176.600 0.040 0.000 0.980 273 K CA -0.587 55.717 56.287 0.029 0.000 0.996 273 K CB 2.152 34.640 32.500 -0.019 0.000 1.190 273 K HN 0.277 nan 8.250 nan 0.000 0.479 274 I N 2.762 123.356 120.570 0.040 0.000 2.264 274 I HA -0.253 3.916 4.170 -0.002 0.000 0.248 274 I C 1.499 177.620 176.117 0.008 0.000 1.111 274 I CA 1.638 62.952 61.300 0.023 0.000 1.382 274 I CB 0.018 38.031 38.000 0.021 0.000 1.060 274 I HN 0.657 nan 8.210 nan 0.000 0.418 275 I N 0.414 120.986 120.570 0.003 0.000 2.286 275 I HA -0.309 3.860 4.170 -0.002 0.000 0.248 275 I C 1.988 178.105 176.117 -0.000 0.000 1.115 275 I CA 1.264 62.537 61.300 -0.044 0.000 1.392 275 I CB -0.591 37.338 38.000 -0.120 0.000 1.065 275 I HN 0.299 nan 8.210 nan 0.000 0.418 276 N N 0.549 119.287 118.700 0.064 0.000 2.188 276 N HA -0.207 4.532 4.740 -0.002 0.000 0.184 276 N C 1.727 177.255 175.510 0.031 0.000 1.018 276 N CA 1.033 54.117 53.050 0.057 0.000 0.858 276 N CB -0.230 38.297 38.487 0.066 0.000 0.989 276 N HN 0.405 nan 8.380 nan 0.000 0.426 277 E N 0.578 120.794 120.200 0.026 0.000 2.077 277 E HA -0.116 4.232 4.350 -0.002 0.000 0.193 277 E C 1.755 178.376 176.600 0.035 0.000 0.989 277 E CA 0.727 57.140 56.400 0.022 0.000 0.800 277 E CB -0.037 29.674 29.700 0.019 0.000 0.746 277 E HN 0.284 nan 8.360 nan 0.000 0.452 278 L N 0.686 121.934 121.223 0.042 0.000 2.056 278 L HA -0.139 4.199 4.340 -0.002 0.000 0.207 278 L C 2.790 179.739 176.870 0.132 0.000 1.078 278 L CA 1.486 56.388 54.840 0.104 0.000 0.749 278 L CB -0.485 41.580 42.059 0.010 0.000 0.901 278 L HN 0.272 nan 8.230 nan 0.000 0.433 279 E N 0.437 120.652 120.200 0.025 0.000 2.077 279 E HA -0.199 4.149 4.350 -0.002 0.000 0.193 279 E C 2.161 178.792 176.600 0.051 0.000 0.989 279 E CA 1.293 57.702 56.400 0.015 0.000 0.800 279 E CB -0.191 29.496 29.700 -0.022 0.000 0.746 279 E HN 0.432 nan 8.360 nan 0.000 0.452 280 G N 1.630 110.451 108.800 0.035 0.000 2.446 280 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.217 280 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.217 280 G C 1.624 176.526 174.900 0.004 0.000 1.168 280 G CA 0.917 46.028 45.100 0.019 0.000 0.771 280 G HN 0.394 nan 8.290 nan 0.000 0.551 281 I N -1.125 119.440 120.570 -0.008 0.000 2.500 281 I HA 0.067 4.236 4.170 -0.002 0.000 0.252 281 I C 2.269 178.269 176.117 -0.195 0.000 1.142 281 I CA 0.596 61.832 61.300 -0.106 0.000 1.451 281 I CB 0.062 37.966 38.000 -0.161 0.000 1.093 281 I HN 0.151 nan 8.210 nan 0.000 0.430 282 F N 1.038 120.867 119.950 -0.203 0.000 2.206 282 F HA -0.169 4.357 4.527 -0.002 0.000 0.298 282 F C 2.460 178.192 175.800 -0.113 0.000 1.090 282 F CA 1.394 59.207 58.000 -0.312 0.000 1.323 282 F CB -0.274 38.483 39.000 -0.404 0.000 1.028 282 F HN 0.069 nan 8.300 nan 0.000 0.492 283 E N 0.230 120.498 120.200 0.114 0.000 2.072 283 E HA -0.087 4.261 4.350 -0.002 0.000 0.191 283 E C 2.466 179.097 176.600 0.051 0.000 0.985 283 E CA 1.396 57.849 56.400 0.087 0.000 0.801 283 E CB -0.776 28.954 29.700 0.050 0.000 0.750 283 E HN 0.249 nan 8.360 nan 0.000 0.452 284 G N -0.058 108.747 108.800 0.009 0.000 2.448 284 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.219 284 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.219 284 G C 1.444 176.337 174.900 -0.013 0.000 1.127 284 G CA 0.678 45.771 45.100 -0.012 0.000 0.766 284 G HN 0.398 nan 8.290 nan 0.000 0.552 285 A N -0.390 122.417 122.820 -0.023 0.000 2.278 285 A HA 0.486 4.805 4.320 -0.002 0.000 0.212 285 A C 1.937 179.613 177.584 0.153 0.000 1.213 285 A CA 1.182 53.227 52.037 0.013 0.000 0.840 285 A CB -0.437 18.496 19.000 -0.112 0.000 0.866 285 A HN 1.530 nan 8.150 nan 0.000 0.489 286 G N -2.628 106.256 108.800 0.140 0.000 2.157 286 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.248 286 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.248 286 G C -0.105 174.895 174.900 0.168 0.000 0.979 286 G CA 0.101 45.271 45.100 0.117 0.000 0.650 286 G HN 0.372 nan 8.290 nan 0.000 0.529 287 W N 0.476 121.754 121.300 -0.037 0.000 2.183 287 W HA 0.612 5.271 4.660 -0.002 0.000 0.348 287 W C 0.580 177.071 176.519 -0.047 0.000 1.257 287 W CA -0.644 56.681 57.345 -0.034 0.000 1.324 287 W CB 0.404 29.902 29.460 0.064 0.000 1.144 287 W HN 0.184 nan 8.180 nan 0.000 0.622 288 N N 0.876 119.664 118.700 0.146 0.000 2.420 288 N HA 0.320 5.059 4.740 -0.002 0.000 0.249 288 N C -1.625 173.911 175.510 0.042 0.000 1.033 288 N CA -0.141 52.931 53.050 0.036 0.000 0.944 288 N CB 0.591 39.046 38.487 -0.052 0.000 1.113 288 N HN 0.112 nan 8.380 nan 0.000 0.502 289 V N 5.315 125.237 119.914 0.013 0.000 2.407 289 V HA 0.402 4.521 4.120 -0.002 0.000 0.278 289 V C 0.316 176.347 176.094 -0.106 0.000 1.037 289 V CA -0.577 61.690 62.300 -0.054 0.000 0.900 289 V CB 0.769 32.564 31.823 -0.047 0.000 0.983 289 V HN 0.579 nan 8.190 nan 0.000 0.459 290 I N 5.169 125.641 120.570 -0.164 0.000 2.382 290 I HA 0.422 4.590 4.170 -0.002 0.000 0.285 290 I C -0.099 175.882 176.117 -0.227 0.000 1.007 290 I CA -0.614 60.576 61.300 -0.184 0.000 1.142 290 I CB 1.519 39.390 38.000 -0.214 0.000 1.289 290 I HN 0.495 nan 8.210 nan 0.000 0.453 291 K N 5.179 125.450 120.400 -0.216 0.000 2.211 291 K HA 0.498 4.817 4.320 -0.002 0.000 0.275 291 K C -0.721 175.709 176.600 -0.284 0.000 1.024 291 K CA -0.467 55.655 56.287 -0.276 0.000 0.887 291 K CB 2.074 34.397 32.500 -0.294 0.000 1.084 291 K HN 0.309 nan 8.250 nan 0.000 0.463 292 V N 5.804 125.528 119.914 -0.317 0.000 2.239 292 V HA 0.076 4.195 4.120 -0.002 0.000 0.267 292 V C 0.566 176.417 176.094 -0.406 0.000 1.056 292 V CA -0.366 61.762 62.300 -0.285 0.000 0.830 292 V CB 0.698 32.388 31.823 -0.221 0.000 1.090 292 V HN 0.838 nan 8.190 nan 0.000 0.459 293 M N 1.426 120.677 119.600 -0.581 0.000 2.299 293 M HA 0.222 4.701 4.480 -0.002 0.000 0.264 293 M C 0.241 175.804 176.300 -1.229 0.000 1.095 293 M CA 1.180 55.816 55.300 -1.108 0.000 1.165 293 M CB -0.117 31.552 32.600 -1.552 0.000 1.349 293 M HN 0.537 nan 8.290 nan 0.000 0.446 294 W N -0.330 120.825 121.300 -0.242 0.000 2.844 294 W HA 0.651 5.310 4.660 -0.002 0.000 0.340 294 W C 0.532 177.039 176.519 -0.020 0.000 1.093 294 W CA -1.256 55.925 57.345 -0.273 0.000 1.212 294 W CB 0.431 29.457 29.460 -0.724 0.000 1.422 294 W HN 0.089 nan 8.180 nan 0.000 0.515 295 G N 0.227 109.279 108.800 0.421 0.000 2.653 295 G HA2 0.216 4.175 3.960 -0.002 0.000 0.265 295 G HA3 0.216 4.175 3.960 -0.002 0.000 0.265 295 G C 0.639 175.784 174.900 0.409 0.000 1.237 295 G CA -0.387 44.930 45.100 0.361 0.000 0.946 295 G HN 0.526 nan 8.290 nan 0.000 0.522 296 S N -0.512 115.351 115.700 0.271 0.000 2.399 296 S HA -0.120 4.349 4.470 -0.002 0.000 0.231 296 S C 2.361 177.113 174.600 0.254 0.000 1.022 296 S CA 0.995 59.333 58.200 0.230 0.000 0.983 296 S CB -0.178 63.108 63.200 0.142 0.000 0.803 296 S HN 0.564 nan 8.310 nan 0.000 0.480 297 R N -0.169 120.482 120.500 0.252 0.000 2.200 297 R HA -0.109 4.229 4.340 -0.002 0.000 0.234 297 R C 1.577 178.013 176.300 0.226 0.000 1.127 297 R CA 1.376 57.583 56.100 0.178 0.000 0.989 297 R CB -0.278 30.070 30.300 0.081 0.000 0.869 297 R HN 0.501 nan 8.270 nan 0.000 0.459 298 W N 1.021 122.440 121.300 0.198 0.000 2.576 298 W HA 0.010 4.668 4.660 -0.002 0.000 0.270 298 W C 1.566 178.162 176.519 0.130 0.000 1.255 298 W CA 0.165 57.599 57.345 0.147 0.000 1.314 298 W CB -0.071 29.438 29.460 0.081 0.000 1.101 298 W HN 0.003 nan 8.180 nan 0.000 0.595 299 D N 0.563 121.175 120.400 0.354 0.000 2.127 299 D HA -0.284 4.355 4.640 -0.002 0.000 0.190 299 D C 1.753 178.171 176.300 0.196 0.000 1.000 299 D CA 2.012 56.157 54.000 0.241 0.000 0.839 299 D CB -0.753 40.162 40.800 0.192 0.000 0.955 299 D HN 0.341 nan 8.370 nan 0.000 0.446 300 E N 0.405 120.720 120.200 0.191 0.000 2.118 300 E HA -0.157 4.191 4.350 -0.002 0.000 0.195 300 E C 2.409 179.111 176.600 0.170 0.000 0.992 300 E CA 0.421 56.922 56.400 0.167 0.000 0.804 300 E CB -0.177 29.625 29.700 0.170 0.000 0.741 300 E HN 0.202 nan 8.360 nan 0.000 0.458 301 L N 0.374 121.715 121.223 0.198 0.000 1.976 301 L HA -0.198 4.141 4.340 -0.002 0.000 0.209 301 L C 2.611 179.549 176.870 0.114 0.000 1.071 301 L CA 1.159 56.067 54.840 0.113 0.000 0.746 301 L CB -0.318 41.755 42.059 0.023 0.000 0.890 301 L HN 0.303 nan 8.230 nan 0.000 0.432 302 L N 0.057 121.380 121.223 0.166 0.000 2.079 302 L HA -0.262 4.076 4.340 -0.002 0.000 0.210 302 L C 2.710 179.640 176.870 0.101 0.000 1.081 302 L CA 1.775 56.697 54.840 0.137 0.000 0.752 302 L CB -0.705 41.446 42.059 0.153 0.000 0.896 302 L HN 0.222 nan 8.230 nan 0.000 0.433 303 R N -0.198 120.366 120.500 0.106 0.000 2.081 303 R HA -0.229 4.110 4.340 -0.002 0.000 0.235 303 R C 2.441 178.782 176.300 0.068 0.000 1.131 303 R CA 1.917 58.068 56.100 0.084 0.000 0.960 303 R CB -0.275 30.079 30.300 0.089 0.000 0.856 303 R HN 0.442 nan 8.270 nan 0.000 0.436 304 K N 0.805 121.248 120.400 0.071 0.000 2.148 304 K HA -0.156 4.163 4.320 -0.002 0.000 0.204 304 K C -0.057 176.565 176.600 0.038 0.000 1.050 304 K CA 1.168 57.487 56.287 0.054 0.000 0.942 304 K CB -0.240 32.295 32.500 0.058 0.000 0.724 304 K HN 0.059 nan 8.250 nan 0.000 0.446 305 D N 0.675 121.100 120.400 0.042 0.000 2.389 305 D HA -0.059 4.580 4.640 -0.002 0.000 0.263 305 D C 0.694 177.009 176.300 0.026 0.000 1.255 305 D CA 0.397 54.416 54.000 0.031 0.000 0.914 305 D CB 1.206 42.032 40.800 0.044 0.000 1.116 305 D HN 0.322 nan 8.370 nan 0.000 0.502 306 T N -0.664 113.898 114.554 0.015 0.000 3.018 306 T HA -0.047 4.301 4.350 -0.002 0.000 0.246 306 T C 1.819 176.520 174.700 0.001 0.000 1.026 306 T CA 0.438 62.544 62.100 0.011 0.000 1.081 306 T CB -0.378 68.495 68.868 0.009 0.000 0.970 306 T HN 0.297 nan 8.240 nan 0.000 0.475 307 S N 1.288 116.984 115.700 -0.008 0.000 2.555 307 S HA 0.309 4.777 4.470 -0.002 0.000 0.230 307 S C 2.090 176.673 174.600 -0.029 0.000 0.978 307 S CA 0.514 58.700 58.200 -0.023 0.000 0.934 307 S CB -1.115 62.064 63.200 -0.035 0.000 0.766 307 S HN 1.274 nan 8.310 nan 0.000 0.533 308 G N 1.439 110.231 108.800 -0.013 0.000 2.187 308 G HA2 -0.387 3.572 3.960 -0.002 0.000 0.261 308 G HA3 -0.387 3.572 3.960 -0.002 0.000 0.261 308 G C 0.757 175.639 174.900 -0.029 0.000 1.000 308 G CA 0.766 45.861 45.100 -0.008 0.000 0.718 308 G HN 0.575 nan 8.290 nan 0.000 0.519 309 K N -0.312 120.058 120.400 -0.050 0.000 2.217 309 K HA 0.215 4.534 4.320 -0.002 0.000 0.202 309 K C 2.319 178.889 176.600 -0.050 0.000 1.051 309 K CA 1.471 57.700 56.287 -0.097 0.000 0.952 309 K CB -0.269 32.160 32.500 -0.118 0.000 0.736 309 K HN 0.473 nan 8.250 nan 0.000 0.453 310 L N 0.423 121.643 121.223 -0.006 0.000 2.027 310 L HA -0.087 4.251 4.340 -0.002 0.000 0.206 310 L C 1.691 178.577 176.870 0.027 0.000 1.074 310 L CA 1.530 56.380 54.840 0.016 0.000 0.745 310 L CB -0.429 41.671 42.059 0.068 0.000 0.898 310 L HN 0.122 nan 8.230 nan 0.000 0.433 311 I N -0.231 120.361 120.570 0.038 0.000 2.208 311 I HA -0.335 3.833 4.170 -0.002 0.000 0.245 311 I C 2.557 178.716 176.117 0.070 0.000 1.097 311 I CA 1.684 63.025 61.300 0.067 0.000 1.363 311 I CB -1.382 36.652 38.000 0.056 0.000 1.051 311 I HN 0.569 nan 8.210 nan 0.000 0.413 312 Q N 0.570 120.382 119.800 0.020 0.000 2.050 312 Q HA -0.240 4.099 4.340 -0.002 0.000 0.202 312 Q C 2.372 178.402 176.000 0.050 0.000 0.980 312 Q CA 1.570 57.377 55.803 0.007 0.000 0.840 312 Q CB -0.138 28.552 28.738 -0.081 0.000 0.898 312 Q HN 0.372 nan 8.270 nan 0.000 0.424 313 L N 0.585 121.834 121.223 0.043 0.000 2.013 313 L HA -0.219 4.120 4.340 -0.002 0.000 0.212 313 L C 2.182 179.107 176.870 0.092 0.000 1.073 313 L CA 1.981 56.844 54.840 0.038 0.000 0.753 313 L CB -0.463 41.491 42.059 -0.176 0.000 0.890 313 L HN 0.352 nan 8.230 nan 0.000 0.432 314 M N -0.756 118.951 119.600 0.177 0.000 2.117 314 M HA -0.184 4.295 4.480 -0.002 0.000 0.262 314 M C 1.939 178.413 176.300 0.290 0.000 1.065 314 M CA 1.594 57.139 55.300 0.408 0.000 1.114 314 M CB -0.642 32.214 32.600 0.426 0.000 1.361 314 M HN 0.325 nan 8.290 nan 0.000 0.408 315 N N 0.951 119.759 118.700 0.180 0.000 2.120 315 N HA -0.172 4.566 4.740 -0.002 0.000 0.188 315 N C 1.539 177.057 175.510 0.012 0.000 1.024 315 N CA 1.730 54.828 53.050 0.081 0.000 0.852 315 N CB -0.441 38.099 38.487 0.088 0.000 1.003 315 N HN 0.617 nan 8.380 nan 0.000 0.424 316 E N -0.005 120.224 120.200 0.049 0.000 2.216 316 E HA -0.013 4.336 4.350 -0.002 0.000 0.192 316 E C -0.027 176.584 176.600 0.018 0.000 0.988 316 E CA 0.483 56.905 56.400 0.037 0.000 0.834 316 E CB -0.365 29.377 29.700 0.071 0.000 0.772 316 E HN -0.026 nan 8.360 nan 0.000 0.479 317 T N 2.796 117.360 114.554 0.017 0.000 2.870 317 T HA 0.262 4.610 4.350 -0.002 0.000 0.300 317 T C 0.253 174.939 174.700 -0.022 0.000 0.989 317 T CA -0.267 61.790 62.100 -0.072 0.000 1.139 317 T CB 1.409 70.081 68.868 -0.327 0.000 0.920 317 T HN 0.210 nan 8.240 nan 0.000 0.537 318 V N 0.683 120.597 119.914 -0.001 0.000 3.096 318 V HA 0.419 4.538 4.120 -0.002 0.000 0.319 318 V C 0.965 177.189 176.094 0.216 0.000 1.082 318 V CA -0.811 61.539 62.300 0.084 0.000 1.022 318 V CB 1.142 32.994 31.823 0.048 0.000 1.103 318 V HN 0.654 nan 8.190 nan 0.000 0.455 319 D N 2.379 122.914 120.400 0.225 0.000 2.149 319 D HA -0.155 4.483 4.640 -0.002 0.000 0.194 319 D C 2.029 178.465 176.300 0.226 0.000 1.001 319 D CA 2.209 56.371 54.000 0.270 0.000 0.849 319 D CB -0.601 40.296 40.800 0.163 0.000 0.939 319 D HN 0.888 nan 8.370 nan 0.000 0.449 320 G N 1.355 110.235 108.800 0.132 0.000 2.446 320 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.217 320 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.217 320 G C 1.299 176.236 174.900 0.062 0.000 1.168 320 G CA 1.108 46.259 45.100 0.084 0.000 0.771 320 G HN 0.191 nan 8.290 nan 0.000 0.551 321 D N 0.296 120.720 120.400 0.040 0.000 2.087 321 D HA -0.144 4.495 4.640 -0.002 0.000 0.192 321 D C 2.209 178.536 176.300 0.045 0.000 0.993 321 D CA 1.130 55.101 54.000 -0.047 0.000 0.828 321 D CB -0.565 40.223 40.800 -0.019 0.000 0.968 321 D HN 0.366 nan 8.370 nan 0.000 0.448 322 Y N 1.825 122.306 120.300 0.302 0.000 2.181 322 Y HA -0.232 4.317 4.550 -0.002 0.000 0.284 322 Y C 2.636 178.696 175.900 0.267 0.000 1.179 322 Y CA 1.605 59.942 58.100 0.395 0.000 1.179 322 Y CB -0.705 37.962 38.460 0.344 0.000 0.973 322 Y HN 0.223 nan 8.280 nan 0.000 0.519 323 Q N -1.589 118.394 119.800 0.305 0.000 2.369 323 Q HA -0.089 4.250 4.340 -0.002 0.000 0.206 323 Q C 1.556 177.607 176.000 0.085 0.000 0.963 323 Q CA 1.572 57.486 55.803 0.186 0.000 0.894 323 Q CB -0.542 28.280 28.738 0.140 0.000 0.965 323 Q HN 0.292 nan 8.270 nan 0.000 0.475 324 T N 0.890 115.432 114.554 -0.020 0.000 2.735 324 T HA -0.028 4.321 4.350 -0.002 0.000 0.256 324 T C 1.133 175.701 174.700 -0.220 0.000 1.042 324 T CA 1.121 63.097 62.100 -0.206 0.000 1.147 324 T CB -0.316 68.319 68.868 -0.388 0.000 0.865 324 T HN 0.272 nan 8.240 nan 0.000 0.421 325 F N 1.865 121.842 119.950 0.044 0.000 2.192 325 F HA -0.016 4.510 4.527 -0.002 0.000 0.301 325 F C 2.241 178.148 175.800 0.178 0.000 1.079 325 F CA 0.765 58.830 58.000 0.108 0.000 1.303 325 F CB -0.476 38.623 39.000 0.165 0.000 1.024 325 F HN 0.065 nan 8.300 nan 0.000 0.494 326 K N 0.502 121.083 120.400 0.303 0.000 2.519 326 K HA -0.132 4.187 4.320 -0.002 0.000 0.196 326 K C 1.531 178.274 176.600 0.238 0.000 1.041 326 K CA 1.374 57.795 56.287 0.224 0.000 0.954 326 K CB -0.106 32.502 32.500 0.181 0.000 0.774 326 K HN 0.432 nan 8.250 nan 0.000 0.480 327 S N -1.570 114.244 115.700 0.190 0.000 2.619 327 S HA 0.157 4.626 4.470 -0.002 0.000 0.238 327 S C 0.768 175.406 174.600 0.063 0.000 1.068 327 S CA -0.676 57.600 58.200 0.127 0.000 0.926 327 S CB 0.233 63.440 63.200 0.011 0.000 0.864 327 S HN -0.023 nan 8.310 nan 0.000 0.493 328 K N 2.059 122.426 120.400 -0.055 0.000 3.054 328 K HA 0.439 4.758 4.320 -0.002 0.000 0.348 328 K C -0.258 176.168 176.600 -0.289 0.000 1.024 328 K CA 0.179 56.316 56.287 -0.251 0.000 1.316 328 K CB -0.432 31.625 32.500 -0.737 0.000 1.328 328 K HN 0.331 nan 8.250 nan 0.000 0.534 329 D N -2.549 117.668 120.400 -0.305 0.000 2.610 329 D HA 0.215 4.854 4.640 -0.002 0.000 0.271 329 D C 1.046 177.229 176.300 -0.195 0.000 1.174 329 D CA -0.453 53.081 54.000 -0.776 0.000 0.949 329 D CB 1.203 41.682 40.800 -0.536 0.000 1.430 329 D HN 0.444 nan 8.370 nan 0.000 0.467 330 G N 0.260 108.922 108.800 -0.229 0.000 2.517 330 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.222 330 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.222 330 G C 1.204 176.255 174.900 0.251 0.000 1.109 330 G CA 1.601 46.863 45.100 0.270 0.000 0.746 330 G HN 0.475 nan 8.290 nan 0.000 0.576 331 A N -0.215 122.697 122.820 0.153 0.000 1.874 331 A HA 0.090 4.408 4.320 -0.002 0.000 0.214 331 A C 2.172 179.923 177.584 0.279 0.000 1.189 331 A CA 1.440 53.584 52.037 0.178 0.000 0.615 331 A CB -0.620 18.445 19.000 0.109 0.000 0.830 331 A HN 0.407 nan 8.150 nan 0.000 0.443 332 Y N 0.739 121.141 120.300 0.171 0.000 2.315 332 Y HA -0.175 4.373 4.550 -0.002 0.000 0.288 332 Y C 2.191 178.343 175.900 0.420 0.000 1.154 332 Y CA 1.700 59.939 58.100 0.232 0.000 1.229 332 Y CB -0.137 38.380 38.460 0.095 0.000 0.980 332 Y HN 0.080 nan 8.280 nan 0.000 0.540 333 V N 0.336 120.643 119.914 0.654 0.000 2.379 333 V HA -0.223 3.896 4.120 -0.002 0.000 0.245 333 V C 2.433 178.834 176.094 0.511 0.000 1.044 333 V CA 2.074 64.722 62.300 0.581 0.000 1.036 333 V CB -0.593 31.529 31.823 0.498 0.000 0.664 333 V HN 0.284 nan 8.190 nan 0.000 0.453 334 R N -0.220 120.550 120.500 0.451 0.000 2.285 334 R HA -0.120 4.219 4.340 -0.002 0.000 0.213 334 R C 1.992 178.446 176.300 0.256 0.000 1.068 334 R CA 1.178 57.503 56.100 0.374 0.000 1.004 334 R CB 0.119 30.544 30.300 0.209 0.000 0.873 334 R HN 0.659 nan 8.270 nan 0.000 0.467 335 E N -1.518 118.832 120.200 0.250 0.000 2.065 335 E HA -0.067 4.282 4.350 -0.002 0.000 0.191 335 E C 1.645 178.279 176.600 0.057 0.000 0.960 335 E CA 0.704 57.176 56.400 0.121 0.000 0.824 335 E CB -0.013 29.749 29.700 0.103 0.000 0.793 335 E HN 0.442 nan 8.360 nan 0.000 0.459 336 H N -0.658 118.443 119.070 0.051 0.000 2.384 336 H HA 0.021 4.575 4.556 -0.002 0.000 0.300 336 H C 1.431 176.909 175.328 0.251 0.000 1.057 336 H CA 0.924 57.048 56.048 0.126 0.000 1.370 336 H CB -0.101 29.733 29.762 0.119 0.000 1.417 336 H HN 0.079 nan 8.280 nan 0.000 0.527 337 F N 0.034 120.093 119.950 0.181 0.000 2.085 337 F HA 0.008 4.533 4.527 -0.002 0.000 0.284 337 F C 1.602 177.245 175.800 -0.261 0.000 1.127 337 F CA 0.847 58.670 58.000 -0.294 0.000 1.164 337 F CB -0.710 37.707 39.000 -0.971 0.000 1.035 337 F HN -0.021 nan 8.300 nan 0.000 0.481 338 F N 0.675 120.567 119.950 -0.097 0.000 2.365 338 F HA 0.076 4.601 4.527 -0.002 0.000 0.300 338 F C 2.425 178.138 175.800 -0.146 0.000 1.090 338 F CA 1.088 58.972 58.000 -0.194 0.000 1.408 338 F CB -1.158 37.804 39.000 -0.063 0.000 1.060 338 F HN 0.133 nan 8.300 nan 0.000 0.534 339 G N -1.024 107.812 108.800 0.060 0.000 3.314 339 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.238 339 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.238 339 G C 1.494 176.308 174.900 -0.144 0.000 1.184 339 G CA -0.029 45.060 45.100 -0.018 0.000 0.806 339 G HN 0.139 nan 8.290 nan 0.000 0.536 340 K N -0.086 120.157 120.400 -0.262 0.000 2.137 340 K HA 0.148 4.467 4.320 -0.002 0.000 0.202 340 K C -0.408 175.755 176.600 -0.728 0.000 1.052 340 K CA 0.596 56.558 56.287 -0.542 0.000 0.961 340 K CB -0.031 32.037 32.500 -0.720 0.000 0.741 340 K HN 0.275 nan 8.250 nan 0.000 0.452 341 Y N -1.295 118.954 120.300 -0.085 0.000 2.512 341 Y HA 0.300 4.849 4.550 -0.002 0.000 0.348 341 Y C -1.982 173.891 175.900 -0.045 0.000 0.990 341 Y CA -2.789 55.273 58.100 -0.064 0.000 1.033 341 Y CB 1.798 40.213 38.460 -0.074 0.000 1.259 341 Y HN -0.144 nan 8.280 nan 0.000 0.461 342 P HA -0.174 nan 4.420 nan 0.000 0.216 342 P C 1.316 178.645 177.300 0.049 0.000 1.150 342 P CA 1.553 64.689 63.100 0.060 0.000 0.837 342 P CB 0.519 32.246 31.700 0.045 0.000 0.786 343 E N -0.339 119.896 120.200 0.058 0.000 2.204 343 E HA -0.123 4.226 4.350 -0.002 0.000 0.194 343 E C 1.225 177.843 176.600 0.030 0.000 0.989 343 E CA 1.475 57.890 56.400 0.026 0.000 0.824 343 E CB -1.202 28.499 29.700 0.000 0.000 0.756 343 E HN 0.226 nan 8.360 nan 0.000 0.477 344 T N -3.006 111.591 114.554 0.072 0.000 3.272 344 T HA 0.474 4.823 4.350 -0.002 0.000 0.250 344 T C 1.160 175.915 174.700 0.092 0.000 1.082 344 T CA 0.298 62.456 62.100 0.096 0.000 0.968 344 T CB 0.575 69.500 68.868 0.094 0.000 1.015 344 T HN 0.142 nan 8.240 nan 0.000 0.563 345 A N 0.812 123.641 122.820 0.015 0.000 1.999 345 A HA 0.787 5.106 4.320 -0.002 0.000 0.200 345 A C 2.507 180.033 177.584 -0.095 0.000 1.363 345 A CA 0.518 52.536 52.037 -0.032 0.000 0.844 345 A CB -0.899 18.100 19.000 -0.002 0.000 0.954 345 A HN 0.585 nan 8.150 nan 0.000 0.481 346 A N 0.365 123.147 122.820 -0.063 0.000 2.024 346 A HA -0.043 4.276 4.320 -0.002 0.000 0.220 346 A C 2.060 179.573 177.584 -0.118 0.000 1.164 346 A CA 1.463 53.462 52.037 -0.063 0.000 0.643 346 A CB -0.671 18.310 19.000 -0.031 0.000 0.806 346 A HN 0.470 nan 8.150 nan 0.000 0.451 347 L N -0.373 120.739 121.223 -0.185 0.000 2.017 347 L HA -0.125 4.213 4.340 -0.002 0.000 0.208 347 L C 1.914 178.395 176.870 -0.649 0.000 1.073 347 L CA 1.550 56.198 54.840 -0.320 0.000 0.745 347 L CB -0.472 41.407 42.059 -0.300 0.000 0.894 347 L HN 0.415 nan 8.230 nan 0.000 0.432 348 V N -4.073 115.400 119.914 -0.735 0.000 3.170 348 V HA 0.426 4.544 4.120 -0.002 0.000 0.354 348 V C 1.585 177.510 176.094 -0.282 0.000 1.350 348 V CA 0.364 62.145 62.300 -0.865 0.000 1.244 348 V CB -0.343 30.769 31.823 -1.185 0.000 1.222 348 V HN 0.198 nan 8.190 nan 0.000 0.478 349 A N 0.541 123.277 122.820 -0.139 0.000 1.874 349 A HA -0.005 4.314 4.320 -0.002 0.000 0.214 349 A C 1.635 179.265 177.584 0.078 0.000 1.189 349 A CA 1.445 53.472 52.037 -0.018 0.000 0.615 349 A CB -0.340 18.651 19.000 -0.015 0.000 0.830 349 A HN 0.532 nan 8.150 nan 0.000 0.443 350 D N -1.268 119.231 120.400 0.165 0.000 2.344 350 D HA 0.072 4.711 4.640 -0.002 0.000 0.242 350 D C -1.046 175.416 176.300 0.270 0.000 1.159 350 D CA 0.236 54.347 54.000 0.185 0.000 0.859 350 D CB -0.029 40.865 40.800 0.157 0.000 0.925 350 D HN 0.465 nan 8.370 nan 0.000 0.510 351 W N 1.207 122.452 121.300 -0.093 0.000 2.632 351 W HA 0.206 4.865 4.660 -0.002 0.000 0.328 351 W C 0.608 177.085 176.519 -0.069 0.000 1.044 351 W CA -1.003 56.282 57.345 -0.100 0.000 1.225 351 W CB 0.930 30.289 29.460 -0.169 0.000 1.396 351 W HN -0.286 nan 8.180 nan 0.000 0.499 352 T N -1.511 113.112 114.554 0.115 0.000 2.904 352 T HA 0.122 4.471 4.350 -0.002 0.000 0.290 352 T C 0.895 175.668 174.700 0.122 0.000 1.018 352 T CA -0.458 61.690 62.100 0.080 0.000 1.075 352 T CB 1.321 70.203 68.868 0.023 0.000 0.986 352 T HN 0.447 nan 8.240 nan 0.000 0.523 353 D N 1.072 121.535 120.400 0.105 0.000 2.203 353 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 353 D C 1.681 178.085 176.300 0.173 0.000 0.997 353 D CA 1.484 55.563 54.000 0.132 0.000 0.863 353 D CB 0.109 40.958 40.800 0.082 0.000 0.928 353 D HN 0.683 nan 8.370 nan 0.000 0.458 354 E N 0.556 120.832 120.200 0.128 0.000 2.152 354 E HA -0.097 4.252 4.350 -0.002 0.000 0.192 354 E C 2.153 178.856 176.600 0.171 0.000 0.983 354 E CA 0.582 57.074 56.400 0.153 0.000 0.818 354 E CB -0.139 29.608 29.700 0.079 0.000 0.758 354 E HN 0.395 nan 8.360 nan 0.000 0.467 355 Q N -0.157 119.714 119.800 0.119 0.000 2.083 355 Q HA -0.040 4.299 4.340 -0.002 0.000 0.198 355 Q C 2.174 178.326 176.000 0.253 0.000 0.969 355 Q CA 0.953 56.800 55.803 0.075 0.000 0.838 355 Q CB -0.051 28.625 28.738 -0.104 0.000 0.900 355 Q HN 0.330 nan 8.270 nan 0.000 0.436 356 I N -0.148 120.621 120.570 0.331 0.000 2.202 356 I HA -0.260 3.909 4.170 -0.002 0.000 0.242 356 I C 2.138 178.427 176.117 0.287 0.000 1.091 356 I CA 0.985 62.459 61.300 0.290 0.000 1.368 356 I CB -0.432 37.716 38.000 0.246 0.000 1.058 356 I HN 0.476 nan 8.210 nan 0.000 0.410 357 W N 1.982 123.359 121.300 0.128 0.000 2.538 357 W HA -0.140 4.519 4.660 -0.002 0.000 0.254 357 W C 2.139 178.719 176.519 0.102 0.000 1.249 357 W CA 1.035 58.452 57.345 0.119 0.000 1.253 357 W CB 0.219 29.741 29.460 0.102 0.000 1.130 357 W HN 0.149 nan 8.180 nan 0.000 0.618 358 A N 0.465 123.353 122.820 0.113 0.000 2.021 358 A HA 0.034 4.353 4.320 -0.002 0.000 0.216 358 A C 1.106 178.682 177.584 -0.013 0.000 1.163 358 A CA 0.152 52.200 52.037 0.020 0.000 0.676 358 A CB -0.788 18.238 19.000 0.043 0.000 0.818 358 A HN 0.141 nan 8.150 nan 0.000 0.453 359 L N 1.759 122.960 121.223 -0.036 0.000 2.628 359 L HA -0.029 4.310 4.340 -0.002 0.000 0.274 359 L C 0.285 177.273 176.870 0.197 0.000 1.209 359 L CA -0.053 54.735 54.840 -0.086 0.000 0.930 359 L CB -0.276 41.482 42.059 -0.501 0.000 1.183 359 L HN 0.346 nan 8.230 nan 0.000 0.492 360 N N 3.135 122.066 118.700 0.385 0.000 2.457 360 N HA 0.443 5.182 4.740 -0.002 0.000 0.290 360 N C -0.586 175.203 175.510 0.466 0.000 1.232 360 N CA -0.760 52.487 53.050 0.329 0.000 0.852 360 N CB 1.534 40.140 38.487 0.199 0.000 1.313 360 N HN 0.402 nan 8.380 nan 0.000 0.522 361 R N -0.645 119.988 120.500 0.222 0.000 2.459 361 R HA 0.312 4.650 4.340 -0.002 0.000 0.281 361 R C 1.305 177.602 176.300 -0.005 0.000 1.050 361 R CA -0.310 55.794 56.100 0.006 0.000 1.055 361 R CB 0.477 30.581 30.300 -0.326 0.000 1.045 361 R HN 0.728 nan 8.270 nan 0.000 0.495 362 G N 1.473 110.199 108.800 -0.124 0.000 2.485 362 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.221 362 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.221 362 G C 1.249 176.072 174.900 -0.128 0.000 1.115 362 G CA 0.832 45.875 45.100 -0.094 0.000 0.751 362 G HN 0.754 nan 8.290 nan 0.000 0.567 363 G N -1.107 107.548 108.800 -0.242 0.000 2.625 363 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.214 363 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.214 363 G C 1.230 175.854 174.900 -0.459 0.000 1.132 363 G CA 0.407 45.307 45.100 -0.334 0.000 0.782 363 G HN 0.561 nan 8.290 nan 0.000 0.538 364 H N -0.666 118.313 119.070 -0.153 0.000 2.755 364 H HA 0.130 4.685 4.556 -0.002 0.000 0.273 364 H C -0.461 174.829 175.328 -0.062 0.000 1.055 364 H CA -0.236 55.703 56.048 -0.183 0.000 1.191 364 H CB 1.079 30.636 29.762 -0.341 0.000 1.536 364 H HN 0.231 nan 8.280 nan 0.000 0.529 365 D N 2.317 122.745 120.400 0.046 0.000 2.454 365 D HA 0.101 4.740 4.640 -0.002 0.000 0.225 365 D C -1.604 174.712 176.300 0.026 0.000 1.081 365 D CA -2.115 51.916 54.000 0.052 0.000 0.864 365 D CB 2.207 43.056 40.800 0.081 0.000 1.040 365 D HN 0.045 nan 8.370 nan 0.000 0.517 366 P HA -0.196 nan 4.420 nan 0.000 0.217 366 P C 0.979 178.260 177.300 -0.031 0.000 1.148 366 P CA 1.084 64.154 63.100 -0.049 0.000 0.828 366 P CB 0.597 32.152 31.700 -0.241 0.000 0.783 367 K N -0.205 120.136 120.400 -0.099 0.000 2.097 367 K HA -0.081 4.237 4.320 -0.002 0.000 0.205 367 K C 2.158 178.874 176.600 0.194 0.000 1.050 367 K CA 1.026 57.349 56.287 0.059 0.000 0.938 367 K CB -0.149 32.362 32.500 0.019 0.000 0.718 367 K HN 0.092 nan 8.250 nan 0.000 0.442 368 K N 0.995 121.471 120.400 0.127 0.000 2.103 368 K HA -0.014 4.305 4.320 -0.002 0.000 0.204 368 K C 2.130 178.801 176.600 0.117 0.000 1.052 368 K CA 0.983 57.335 56.287 0.107 0.000 0.945 368 K CB -0.248 32.286 32.500 0.057 0.000 0.722 368 K HN 0.174 nan 8.250 nan 0.000 0.443 369 I N 0.083 120.746 120.570 0.154 0.000 2.252 369 I HA -0.291 3.878 4.170 -0.002 0.000 0.245 369 I C 2.445 178.780 176.117 0.363 0.000 1.102 369 I CA 1.123 62.551 61.300 0.214 0.000 1.385 369 I CB -0.359 37.778 38.000 0.228 0.000 1.064 369 I HN 0.027 nan 8.210 nan 0.000 0.414 370 Y N 1.837 122.334 120.300 0.328 0.000 2.165 370 Y HA -0.312 4.237 4.550 -0.002 0.000 0.286 370 Y C 2.511 178.607 175.900 0.326 0.000 1.155 370 Y CA 1.513 59.874 58.100 0.436 0.000 1.164 370 Y CB -0.373 38.380 38.460 0.489 0.000 0.978 370 Y HN 0.121 nan 8.280 nan 0.000 0.513 371 A N 0.465 123.440 122.820 0.258 0.000 1.933 371 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 371 A C 2.410 179.966 177.584 -0.047 0.000 1.175 371 A CA 1.888 53.981 52.037 0.095 0.000 0.628 371 A CB -1.465 17.621 19.000 0.143 0.000 0.814 371 A HN 0.634 nan 8.150 nan 0.000 0.444 372 A N -1.131 121.646 122.820 -0.071 0.000 1.873 372 A HA 0.030 4.349 4.320 -0.002 0.000 0.215 372 A C 1.958 179.324 177.584 -0.363 0.000 1.186 372 A CA 1.437 53.336 52.037 -0.229 0.000 0.616 372 A CB -0.737 18.077 19.000 -0.311 0.000 0.823 372 A HN 0.466 nan 8.150 nan 0.000 0.442 373 F N -0.099 119.626 119.950 -0.374 0.000 2.234 373 F HA -0.074 4.451 4.527 -0.002 0.000 0.299 373 F C 2.271 177.708 175.800 -0.605 0.000 1.087 373 F CA 1.684 59.290 58.000 -0.656 0.000 1.340 373 F CB -0.036 38.201 39.000 -1.273 0.000 1.031 373 F HN 0.128 nan 8.300 nan 0.000 0.500 374 K N 1.114 121.368 120.400 -0.243 0.000 2.057 374 K HA -0.186 4.133 4.320 -0.002 0.000 0.207 374 K C 2.031 178.595 176.600 -0.060 0.000 1.049 374 K CA 1.473 57.723 56.287 -0.062 0.000 0.931 374 K CB -0.255 32.120 32.500 -0.209 0.000 0.714 374 K HN 0.078 nan 8.250 nan 0.000 0.440 375 K N -0.482 119.855 120.400 -0.105 0.000 2.057 375 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 375 K C 1.919 178.452 176.600 -0.112 0.000 1.050 375 K CA 1.202 57.435 56.287 -0.090 0.000 0.935 375 K CB -0.251 32.191 32.500 -0.097 0.000 0.715 375 K HN 0.191 nan 8.250 nan 0.000 0.439 376 A N 1.168 123.887 122.820 -0.169 0.000 1.908 376 A HA -0.252 4.066 4.320 -0.002 0.000 0.218 376 A C 2.080 179.591 177.584 -0.122 0.000 1.181 376 A CA 1.756 53.685 52.037 -0.180 0.000 0.627 376 A CB -0.667 18.177 19.000 -0.260 0.000 0.818 376 A HN 0.572 nan 8.150 nan 0.000 0.445 377 Q N -0.446 119.313 119.800 -0.068 0.000 2.170 377 Q HA -0.198 4.140 4.340 -0.002 0.000 0.203 377 Q C 1.605 177.601 176.000 -0.006 0.000 0.976 377 Q CA 1.745 57.551 55.803 0.006 0.000 0.858 377 Q CB -0.079 28.740 28.738 0.135 0.000 0.907 377 Q HN 0.815 nan 8.270 nan 0.000 0.433 378 E N -0.381 119.807 120.200 -0.019 0.000 2.318 378 E HA 0.034 4.382 4.350 -0.002 0.000 0.193 378 E C 0.037 176.611 176.600 -0.044 0.000 0.998 378 E CA 0.214 56.602 56.400 -0.020 0.000 0.859 378 E CB 0.383 30.077 29.700 -0.010 0.000 0.812 378 E HN 0.135 nan 8.360 nan 0.000 0.492 379 T N 2.047 116.560 114.554 -0.069 0.000 2.930 379 T HA 0.145 4.494 4.350 -0.002 0.000 0.306 379 T C 0.029 174.671 174.700 -0.097 0.000 1.045 379 T CA 0.454 62.502 62.100 -0.086 0.000 1.134 379 T CB 0.712 69.514 68.868 -0.110 0.000 0.961 379 T HN -0.038 nan 8.240 nan 0.000 0.545 380 K N 0.510 120.855 120.400 -0.091 0.000 2.444 380 K HA 0.603 4.922 4.320 -0.002 0.000 0.252 380 K C 0.976 177.513 176.600 -0.105 0.000 0.993 380 K CA -0.708 55.522 56.287 -0.095 0.000 0.847 380 K CB 2.018 34.477 32.500 -0.068 0.000 1.340 380 K HN 0.682 nan 8.250 nan 0.000 0.446 381 G N 0.965 109.697 108.800 -0.112 0.000 2.241 381 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.244 381 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.244 381 G C -0.256 174.549 174.900 -0.159 0.000 0.998 381 G CA 0.957 45.988 45.100 -0.115 0.000 0.621 381 G HN 0.618 nan 8.290 nan 0.000 0.519 382 K N -1.282 118.993 120.400 -0.209 0.000 2.672 382 K HA 0.779 5.098 4.320 -0.002 0.000 0.295 382 K C -0.255 176.089 176.600 -0.427 0.000 1.042 382 K CA -0.487 55.614 56.287 -0.310 0.000 0.869 382 K CB 0.721 33.065 32.500 -0.260 0.000 1.541 382 K HN 1.272 nan 8.250 nan 0.000 0.396 383 A N 0.757 123.140 122.820 -0.729 0.000 2.304 383 A HA 0.568 4.887 4.320 -0.002 0.000 0.271 383 A C -0.539 176.667 177.584 -0.631 0.000 1.091 383 A CA -0.181 51.290 52.037 -0.943 0.000 0.812 383 A CB 0.615 18.480 19.000 -1.892 0.000 1.056 383 A HN 0.560 nan 8.150 nan 0.000 0.489 384 T N 0.502 114.824 114.554 -0.386 0.000 2.841 384 T HA 0.513 4.862 4.350 -0.002 0.000 0.283 384 T C -0.983 173.769 174.700 0.087 0.000 1.000 384 T CA -0.327 61.711 62.100 -0.104 0.000 0.977 384 T CB 1.390 70.152 68.868 -0.177 0.000 0.979 384 T HN 0.908 nan 8.240 nan 0.000 0.446 385 V N 4.995 124.973 119.914 0.107 0.000 2.540 385 V HA 0.644 4.762 4.120 -0.002 0.000 0.302 385 V C -1.135 174.811 176.094 -0.248 0.000 1.035 385 V CA -0.903 61.349 62.300 -0.080 0.000 0.873 385 V CB 1.091 32.632 31.823 -0.470 0.000 0.992 385 V HN 0.845 nan 8.190 nan 0.000 0.428 386 I N 7.471 127.852 120.570 -0.314 0.000 2.339 386 I HA 0.396 4.564 4.170 -0.002 0.000 0.290 386 I C -0.530 175.380 176.117 -0.346 0.000 0.994 386 I CA -0.460 60.615 61.300 -0.374 0.000 1.191 386 I CB 1.580 39.257 38.000 -0.538 0.000 1.343 386 I HN 0.404 nan 8.210 nan 0.000 0.458 387 L N 6.840 127.869 121.223 -0.324 0.000 2.264 387 L HA 0.556 4.894 4.340 -0.002 0.000 0.287 387 L C 0.317 177.013 176.870 -0.291 0.000 1.039 387 L CA -0.438 54.220 54.840 -0.304 0.000 0.829 387 L CB 1.036 42.911 42.059 -0.306 0.000 1.211 387 L HN 0.631 nan 8.230 nan 0.000 0.427 388 A N 2.990 125.663 122.820 -0.246 0.000 2.253 388 A HA 0.270 4.588 4.320 -0.002 0.000 0.316 388 A C -0.463 177.012 177.584 -0.182 0.000 1.327 388 A CA -0.397 51.509 52.037 -0.219 0.000 0.917 388 A CB -0.029 18.863 19.000 -0.181 0.000 1.162 388 A HN 0.793 nan 8.150 nan 0.000 0.535 389 H N 2.830 121.679 119.070 -0.370 0.000 2.878 389 H HA 0.393 4.948 4.556 -0.002 0.000 0.290 389 H C 0.387 175.519 175.328 -0.327 0.000 1.065 389 H CA 0.700 56.516 56.048 -0.387 0.000 1.477 389 H CB 0.566 29.965 29.762 -0.605 0.000 1.484 389 H HN 0.797 nan 8.280 nan 0.000 0.504 390 T N 2.257 116.692 114.554 -0.198 0.000 2.804 390 T HA 0.449 4.798 4.350 -0.002 0.000 0.290 390 T C -0.274 174.416 174.700 -0.017 0.000 1.099 390 T CA -1.004 60.947 62.100 -0.249 0.000 1.011 390 T CB 1.535 70.207 68.868 -0.327 0.000 1.291 390 T HN 0.399 nan 8.240 nan 0.000 0.523 391 I N 1.447 122.188 120.570 0.285 0.000 2.330 391 I HA 0.402 4.571 4.170 -0.002 0.000 0.289 391 I C -0.091 176.174 176.117 0.247 0.000 1.001 391 I CA -1.051 60.381 61.300 0.219 0.000 1.193 391 I CB 1.680 39.810 38.000 0.217 0.000 1.345 391 I HN 0.573 nan 8.210 nan 0.000 0.461 392 K N 5.101 125.611 120.400 0.183 0.000 2.412 392 K HA 0.288 4.607 4.320 -0.002 0.000 0.281 392 K C 0.832 177.553 176.600 0.202 0.000 1.027 392 K CA 0.699 57.096 56.287 0.184 0.000 0.989 392 K CB 0.411 33.000 32.500 0.149 0.000 0.935 392 K HN 0.792 nan 8.250 nan 0.000 0.475 393 G N 3.632 112.563 108.800 0.220 0.000 2.246 393 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.273 393 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.273 393 G C -0.395 174.646 174.900 0.236 0.000 1.055 393 G CA 0.352 45.574 45.100 0.205 0.000 0.851 393 G HN 0.724 nan 8.290 nan 0.000 0.500 394 Y N 0.419 120.808 120.300 0.149 0.000 2.721 394 Y HA 0.306 4.855 4.550 -0.002 0.000 0.329 394 Y C 1.595 177.629 175.900 0.223 0.000 1.211 394 Y CA 1.086 59.261 58.100 0.125 0.000 1.512 394 Y CB 0.416 38.941 38.460 0.107 0.000 1.249 394 Y HN 1.434 nan 8.280 nan 0.000 0.549 395 G N 5.029 113.621 108.800 -0.347 0.000 2.189 395 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.267 395 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.267 395 G C 0.735 175.717 174.900 0.137 0.000 0.975 395 G CA 0.690 45.646 45.100 -0.239 0.000 0.644 395 G HN 0.677 nan 8.290 nan 0.000 0.537 396 M N 0.138 119.808 119.600 0.116 0.000 2.502 396 M HA 0.283 4.761 4.480 -0.002 0.000 0.243 396 M C 2.458 178.679 176.300 -0.131 0.000 1.130 396 M CA 0.957 56.296 55.300 0.066 0.000 1.055 396 M CB -0.013 32.640 32.600 0.087 0.000 1.457 396 M HN 0.709 nan 8.290 nan 0.000 0.488 397 G N 2.071 110.834 108.800 -0.062 0.000 3.344 397 G HA2 -0.445 3.514 3.960 -0.002 0.000 0.370 397 G HA3 -0.445 3.514 3.960 -0.002 0.000 0.370 397 G C 0.716 175.539 174.900 -0.129 0.000 1.646 397 G CA 1.541 46.584 45.100 -0.095 0.000 1.686 397 G HN 0.434 nan 8.290 nan 0.000 0.823 398 D N 1.253 121.490 120.400 -0.273 0.000 2.286 398 D HA -0.113 4.526 4.640 -0.002 0.000 0.197 398 D C 2.732 178.990 176.300 -0.070 0.000 1.015 398 D CA 2.403 56.312 54.000 -0.152 0.000 0.871 398 D CB -1.013 39.679 40.800 -0.180 0.000 1.044 398 D HN 0.722 nan 8.370 nan 0.000 0.459 399 A N 1.761 124.545 122.820 -0.060 0.000 2.010 399 A HA 0.296 4.615 4.320 -0.002 0.000 0.204 399 A C 1.353 178.946 177.584 0.015 0.000 1.364 399 A CA 1.484 53.514 52.037 -0.012 0.000 0.622 399 A CB -1.020 17.979 19.000 -0.001 0.000 0.983 399 A HN 0.378 nan 8.150 nan 0.000 0.491 415 D N 0.961 121.390 120.400 0.050 0.000 2.182 415 D HA -0.036 4.603 4.640 -0.002 0.000 0.201 415 D C 1.785 178.141 176.300 0.094 0.000 0.986 415 D CA 1.876 55.916 54.000 0.067 0.000 0.847 415 D CB -0.044 40.787 40.800 0.051 0.000 0.942 415 D HN 0.568 nan 8.370 nan 0.000 0.467 416 G N 0.921 109.758 108.800 0.061 0.000 2.421 416 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.216 416 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.216 416 G C 1.893 176.863 174.900 0.117 0.000 1.171 416 G CA 0.785 45.916 45.100 0.052 0.000 0.775 416 G HN 0.244 nan 8.290 nan 0.000 0.543 417 V N 0.868 120.846 119.914 0.108 0.000 2.358 417 V HA -0.173 3.946 4.120 -0.002 0.000 0.246 417 V C 2.909 179.167 176.094 0.273 0.000 1.047 417 V CA 2.040 64.433 62.300 0.156 0.000 1.035 417 V CB -0.549 31.337 31.823 0.105 0.000 0.658 417 V HN 0.322 nan 8.190 nan 0.000 0.452 418 R N -0.626 119.998 120.500 0.207 0.000 2.091 418 R HA -0.202 4.137 4.340 -0.002 0.000 0.238 418 R C 2.436 178.845 176.300 0.182 0.000 1.136 418 R CA 1.727 57.934 56.100 0.178 0.000 0.959 418 R CB -0.747 29.623 30.300 0.116 0.000 0.856 418 R HN 0.631 nan 8.270 nan 0.000 0.437 419 H N 2.199 121.324 119.070 0.091 0.000 2.290 419 H HA -0.147 4.408 4.556 -0.002 0.000 0.298 419 H C 1.992 177.370 175.328 0.083 0.000 1.087 419 H CA 2.249 58.334 56.048 0.063 0.000 1.291 419 H CB -0.145 29.646 29.762 0.047 0.000 1.369 419 H HN 0.341 nan 8.280 nan 0.000 0.492 420 I N -0.946 119.891 120.570 0.444 0.000 2.315 420 I HA -0.140 4.029 4.170 -0.002 0.000 0.248 420 I C 2.840 179.192 176.117 0.392 0.000 1.117 420 I CA 1.347 62.915 61.300 0.447 0.000 1.404 420 I CB -0.540 37.753 38.000 0.489 0.000 1.071 420 I HN 0.035 nan 8.210 nan 0.000 0.419 421 R N 1.335 122.064 120.500 0.382 0.000 2.096 421 R HA -0.181 4.157 4.340 -0.002 0.000 0.235 421 R C 1.713 178.042 176.300 0.050 0.000 1.127 421 R CA 2.235 58.458 56.100 0.206 0.000 0.968 421 R CB -0.283 30.059 30.300 0.069 0.000 0.861 421 R HN 0.478 nan 8.270 nan 0.000 0.440 422 D N -0.190 120.205 120.400 -0.008 0.000 2.162 422 D HA -0.131 4.508 4.640 -0.002 0.000 0.203 422 D C 1.942 178.144 176.300 -0.163 0.000 0.967 422 D CA 0.770 54.718 54.000 -0.087 0.000 0.840 422 D CB -0.185 40.547 40.800 -0.113 0.000 0.972 422 D HN 0.100 nan 8.370 nan 0.000 0.482 423 R N 0.410 120.743 120.500 -0.278 0.000 2.096 423 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 423 R C 1.129 177.073 176.300 -0.593 0.000 1.127 423 R CA 1.163 56.951 56.100 -0.520 0.000 0.968 423 R CB -0.572 29.288 30.300 -0.733 0.000 0.861 423 R HN 0.103 nan 8.270 nan 0.000 0.440 424 F N 0.289 120.238 119.950 -0.002 0.000 2.647 424 F HA 0.318 4.844 4.527 -0.002 0.000 0.300 424 F C -0.198 175.611 175.800 0.015 0.000 1.106 424 F CA -0.640 57.379 58.000 0.032 0.000 1.313 424 F CB -0.446 38.612 39.000 0.095 0.000 1.007 424 F HN -0.003 nan 8.300 nan 0.000 0.536 425 N N -0.049 118.696 118.700 0.075 0.000 2.699 425 N HA -0.180 4.558 4.740 -0.002 0.000 0.256 425 N C -0.718 174.805 175.510 0.022 0.000 0.993 425 N CA 0.227 53.294 53.050 0.027 0.000 0.759 425 N CB -1.444 37.060 38.487 0.029 0.000 0.906 425 N HN 0.012 nan 8.380 nan 0.000 0.541 426 V N 1.134 121.034 119.914 -0.025 0.000 2.555 426 V HA 0.192 4.311 4.120 -0.002 0.000 0.286 426 V C -1.211 174.738 176.094 -0.242 0.000 1.044 426 V CA -1.016 61.187 62.300 -0.163 0.000 1.026 426 V CB 1.037 32.621 31.823 -0.398 0.000 0.981 426 V HN 0.212 nan 8.190 nan 0.000 0.480 427 P HA 0.203 nan 4.420 nan 0.000 0.230 427 P C -0.784 176.382 177.300 -0.223 0.000 1.791 427 P CA 0.164 63.176 63.100 -0.147 0.000 1.020 427 P CB 0.192 31.868 31.700 -0.040 0.000 1.977 428 V N 1.544 121.280 119.914 -0.297 0.000 2.638 428 V HA 0.269 4.388 4.120 -0.002 0.000 0.306 428 V C 0.681 176.678 176.094 -0.162 0.000 1.052 428 V CA -0.638 61.497 62.300 -0.276 0.000 0.885 428 V CB 2.120 33.640 31.823 -0.506 0.000 0.999 428 V HN 0.413 nan 8.190 nan 0.000 0.424 429 S N 1.710 117.358 115.700 -0.086 0.000 2.632 429 S HA 0.244 4.713 4.470 -0.002 0.000 0.267 429 S C 0.636 175.220 174.600 -0.027 0.000 1.276 429 S CA -0.372 57.798 58.200 -0.049 0.000 0.998 429 S CB 1.155 64.338 63.200 -0.028 0.000 0.953 429 S HN 0.669 nan 8.310 nan 0.000 0.547 430 D N 1.419 121.810 120.400 -0.015 0.000 2.182 430 D HA -0.011 4.628 4.640 -0.002 0.000 0.201 430 D C 1.991 178.297 176.300 0.010 0.000 0.986 430 D CA 1.707 55.709 54.000 0.003 0.000 0.847 430 D CB -0.545 40.256 40.800 0.002 0.000 0.942 430 D HN 0.727 nan 8.370 nan 0.000 0.467 431 A N 0.114 122.936 122.820 0.004 0.000 2.119 431 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 431 A C 1.307 178.898 177.584 0.012 0.000 1.153 431 A CA 1.063 53.104 52.037 0.007 0.000 0.692 431 A CB 0.133 19.135 19.000 0.003 0.000 0.799 431 A HN 0.030 nan 8.150 nan 0.000 0.458 432 D N -1.196 119.213 120.400 0.015 0.000 2.441 432 D HA 0.116 4.755 4.640 -0.002 0.000 0.210 432 D C 1.530 177.865 176.300 0.057 0.000 1.102 432 D CA -0.128 53.887 54.000 0.026 0.000 0.840 432 D CB 0.069 40.880 40.800 0.018 0.000 0.990 432 D HN 0.453 nan 8.370 nan 0.000 0.505 433 I N 1.355 121.967 120.570 0.070 0.000 2.264 433 I HA -0.238 3.930 4.170 -0.002 0.000 0.248 433 I C 1.757 177.944 176.117 0.116 0.000 1.111 433 I CA 1.368 62.751 61.300 0.139 0.000 1.382 433 I CB 0.234 38.314 38.000 0.132 0.000 1.060 433 I HN -0.094 nan 8.210 nan 0.000 0.418 434 E N 0.285 120.522 120.200 0.061 0.000 2.418 434 E HA -0.187 4.162 4.350 -0.002 0.000 0.197 434 E C 1.572 178.177 176.600 0.009 0.000 1.026 434 E CA 0.545 56.964 56.400 0.032 0.000 0.862 434 E CB 0.119 29.830 29.700 0.019 0.000 0.799 434 E HN 0.523 nan 8.360 nan 0.000 0.518 435 K N 0.364 120.772 120.400 0.013 0.000 2.444 435 K HA 0.102 4.421 4.320 -0.002 0.000 0.193 435 K C 0.313 176.877 176.600 -0.059 0.000 1.024 435 K CA 0.007 56.283 56.287 -0.019 0.000 1.077 435 K CB 0.193 32.688 32.500 -0.009 0.000 0.833 435 K HN 0.038 nan 8.250 nan 0.000 0.517 436 L N 1.313 122.518 121.223 -0.030 0.000 3.762 436 L HA -0.170 4.169 4.340 -0.002 0.000 0.460 436 L C -2.146 174.600 176.870 -0.207 0.000 1.255 436 L CA -0.586 54.183 54.840 -0.119 0.000 0.783 436 L CB -1.574 40.353 42.059 -0.221 0.000 1.600 436 L HN 0.133 nan 8.230 nan 0.000 0.862 437 P HA 0.103 nan 4.420 nan 0.000 0.274 437 P C -0.493 176.846 177.300 0.066 0.000 1.231 437 P CA 0.003 63.081 63.100 -0.037 0.000 0.790 437 P CB 0.619 32.367 31.700 0.081 0.000 0.951 438 Y N 0.668 121.046 120.300 0.131 0.000 2.335 438 Y HA 0.368 4.917 4.550 -0.002 0.000 0.323 438 Y C 1.116 177.142 175.900 0.210 0.000 1.224 438 Y CA -0.410 57.769 58.100 0.133 0.000 1.241 438 Y CB 0.495 38.882 38.460 -0.121 0.000 1.235 438 Y HN 0.161 nan 8.280 nan 0.000 0.492 439 I N 1.701 122.508 120.570 0.395 0.000 2.498 439 I HA 0.508 4.677 4.170 -0.002 0.000 0.301 439 I C -0.124 176.019 176.117 0.044 0.000 0.984 439 I CA -0.547 60.822 61.300 0.115 0.000 1.204 439 I CB 1.801 39.759 38.000 -0.070 0.000 1.362 439 I HN 0.684 nan 8.210 nan 0.000 0.471 440 T N 0.766 115.240 114.554 -0.134 0.000 2.896 440 T HA 0.609 4.958 4.350 -0.002 0.000 0.297 440 T C -0.949 173.594 174.700 -0.262 0.000 1.108 440 T CA -0.655 61.321 62.100 -0.208 0.000 1.004 440 T CB 1.613 70.442 68.868 -0.066 0.000 1.159 440 T HN 0.123 nan 8.240 nan 0.000 0.499 441 F N 2.797 122.787 119.950 0.066 0.000 2.382 441 F HA 0.485 5.011 4.527 -0.002 0.000 0.361 441 F C -2.012 173.863 175.800 0.125 0.000 1.109 441 F CA -2.606 55.458 58.000 0.106 0.000 1.031 441 F CB 1.337 40.420 39.000 0.138 0.000 1.234 441 F HN 0.383 nan 8.300 nan 0.000 0.445 442 P HA 0.035 nan 4.420 nan 0.000 0.269 442 P C -0.312 176.898 177.300 -0.150 0.000 1.215 442 P CA -0.178 62.945 63.100 0.038 0.000 0.780 442 P CB 0.922 32.639 31.700 0.029 0.000 0.898 443 E N 0.269 120.218 120.200 -0.420 0.000 2.442 443 E HA 0.209 4.557 4.350 -0.002 0.000 0.262 443 E C 1.261 177.690 176.600 -0.284 0.000 1.004 443 E CA 0.949 56.905 56.400 -0.741 0.000 0.928 443 E CB -0.271 29.146 29.700 -0.472 0.000 0.937 443 E HN 0.806 nan 8.360 nan 0.000 0.446 444 G N 2.221 110.917 108.800 -0.174 0.000 2.241 444 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.244 444 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.244 444 G C 0.417 175.324 174.900 0.012 0.000 0.998 444 G CA 0.287 45.364 45.100 -0.039 0.000 0.621 444 G HN 0.722 nan 8.290 nan 0.000 0.519 445 S N 0.067 115.785 115.700 0.030 0.000 2.593 445 S HA 0.528 4.997 4.470 -0.002 0.000 0.269 445 S C 1.057 175.684 174.600 0.046 0.000 1.334 445 S CA 0.682 58.911 58.200 0.048 0.000 1.015 445 S CB 2.079 65.331 63.200 0.086 0.000 0.912 445 S HN 0.416 nan 8.310 nan 0.000 0.541 446 E N 0.872 121.067 120.200 -0.008 0.000 2.051 446 E HA -0.200 4.149 4.350 -0.002 0.000 0.192 446 E C 1.673 178.234 176.600 -0.065 0.000 0.991 446 E CA 1.618 58.006 56.400 -0.021 0.000 0.799 446 E CB -0.155 29.513 29.700 -0.053 0.000 0.748 446 E HN 0.833 nan 8.360 nan 0.000 0.449 447 E N -0.256 119.794 120.200 -0.250 0.000 2.051 447 E HA -0.219 4.130 4.350 -0.002 0.000 0.192 447 E C 2.004 178.467 176.600 -0.229 0.000 0.991 447 E CA 1.324 57.422 56.400 -0.503 0.000 0.799 447 E CB -0.349 28.422 29.700 -1.549 0.000 0.748 447 E HN 0.328 nan 8.360 nan 0.000 0.449 448 H N 0.277 119.269 119.070 -0.130 0.000 2.353 448 H HA -0.065 4.489 4.556 -0.002 0.000 0.300 448 H C 1.644 177.078 175.328 0.177 0.000 1.090 448 H CA 1.908 58.026 56.048 0.116 0.000 1.327 448 H CB 0.044 29.912 29.762 0.177 0.000 1.383 448 H HN 0.136 nan 8.280 nan 0.000 0.508 449 T N 0.308 115.029 114.554 0.277 0.000 2.708 449 T HA -0.186 4.163 4.350 -0.002 0.000 0.266 449 T C 1.790 176.575 174.700 0.141 0.000 1.037 449 T CA 1.562 63.795 62.100 0.222 0.000 1.146 449 T CB -0.722 68.244 68.868 0.164 0.000 0.865 449 T HN 0.403 nan 8.240 nan 0.000 0.435 450 Y N 1.471 121.763 120.300 -0.015 0.000 2.163 450 Y HA -0.079 4.469 4.550 -0.002 0.000 0.288 450 Y C 2.204 178.058 175.900 -0.076 0.000 1.136 450 Y CA 0.918 58.991 58.100 -0.045 0.000 1.147 450 Y CB -0.559 37.861 38.460 -0.065 0.000 0.987 450 Y HN 0.072 nan 8.280 nan 0.000 0.509 451 L N -0.032 121.250 121.223 0.097 0.000 1.978 451 L HA -0.328 4.011 4.340 -0.002 0.000 0.218 451 L C 2.387 179.143 176.870 -0.189 0.000 1.075 451 L CA 2.309 57.109 54.840 -0.067 0.000 0.767 451 L CB -1.161 40.786 42.059 -0.186 0.000 0.890 451 L HN 0.336 nan 8.230 nan 0.000 0.434 452 H N -0.782 118.247 119.070 -0.068 0.000 2.428 452 H HA 0.063 4.618 4.556 -0.002 0.000 0.296 452 H C 2.114 177.393 175.328 -0.082 0.000 1.062 452 H CA 1.131 57.164 56.048 -0.026 0.000 1.350 452 H CB -0.232 29.501 29.762 -0.049 0.000 1.403 452 H HN 0.554 nan 8.280 nan 0.000 0.533 453 A N 1.265 124.069 122.820 -0.027 0.000 1.902 453 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 453 A C 2.364 179.822 177.584 -0.210 0.000 1.181 453 A CA 1.186 53.156 52.037 -0.112 0.000 0.623 453 A CB -0.173 18.732 19.000 -0.159 0.000 0.818 453 A HN 0.259 nan 8.150 nan 0.000 0.443 454 Q N -0.487 119.116 119.800 -0.328 0.000 2.084 454 Q HA -0.114 4.225 4.340 -0.002 0.000 0.202 454 Q C 2.192 178.052 176.000 -0.234 0.000 0.978 454 Q CA 1.135 56.728 55.803 -0.349 0.000 0.844 454 Q CB -0.424 28.052 28.738 -0.437 0.000 0.898 454 Q HN 0.479 nan 8.270 nan 0.000 0.426 455 R N 0.576 120.953 120.500 -0.205 0.000 2.092 455 R HA -0.032 4.307 4.340 -0.002 0.000 0.231 455 R C 2.076 178.217 176.300 -0.265 0.000 1.119 455 R CA 0.816 56.762 56.100 -0.256 0.000 0.970 455 R CB -0.338 29.700 30.300 -0.437 0.000 0.864 455 R HN 0.339 nan 8.270 nan 0.000 0.440 456 Q N 0.787 120.472 119.800 -0.191 0.000 2.167 456 Q HA -0.068 4.271 4.340 -0.002 0.000 0.202 456 Q C 1.752 177.721 176.000 -0.053 0.000 0.970 456 Q CA 1.165 56.905 55.803 -0.105 0.000 0.855 456 Q CB -0.064 28.652 28.738 -0.036 0.000 0.911 456 Q HN 0.343 nan 8.270 nan 0.000 0.438 457 K N 0.077 120.423 120.400 -0.090 0.000 2.362 457 K HA 0.007 4.325 4.320 -0.002 0.000 0.200 457 K C 1.202 177.729 176.600 -0.122 0.000 1.046 457 K CA 0.462 56.703 56.287 -0.077 0.000 0.952 457 K CB 0.194 32.624 32.500 -0.115 0.000 0.753 457 K HN 0.120 nan 8.250 nan 0.000 0.466 458 L N 0.265 121.390 121.223 -0.162 0.000 2.928 458 L HA 0.196 4.534 4.340 -0.002 0.000 0.246 458 L C -0.487 176.259 176.870 -0.206 0.000 1.239 458 L CA -0.041 54.638 54.840 -0.267 0.000 1.035 458 L CB -0.491 41.469 42.059 -0.164 0.000 1.360 458 L HN 0.372 nan 8.230 nan 0.000 0.529 459 H N -1.648 117.385 119.070 -0.062 0.000 3.211 459 H HA -0.178 4.376 4.556 -0.002 0.000 0.240 459 H C 1.011 176.291 175.328 -0.080 0.000 1.148 459 H CA 0.065 56.084 56.048 -0.048 0.000 1.160 459 H CB -1.147 28.611 29.762 -0.008 0.000 1.232 459 H HN 0.644 nan 8.280 nan 0.000 0.321 460 G N -1.053 107.686 108.800 -0.103 0.000 2.265 460 G HA2 0.044 4.003 3.960 -0.002 0.000 0.246 460 G HA3 0.044 4.003 3.960 -0.002 0.000 0.246 460 G C -1.580 173.020 174.900 -0.500 0.000 1.299 460 G CA -0.504 44.420 45.100 -0.293 0.000 1.117 460 G HN 0.158 nan 8.290 nan 0.000 0.485 461 Y N 0.286 120.647 120.300 0.101 0.000 2.509 461 Y HA 0.829 5.378 4.550 -0.002 0.000 0.341 461 Y C 0.750 176.701 175.900 0.085 0.000 1.038 461 Y CA -0.587 57.577 58.100 0.106 0.000 1.089 461 Y CB 1.944 40.449 38.460 0.074 0.000 1.241 461 Y HN 0.862 nan 8.280 nan 0.000 0.468 462 L N 0.383 121.769 121.223 0.272 0.000 2.540 462 L HA 0.816 5.155 4.340 -0.002 0.000 0.256 462 L C -3.113 173.843 176.870 0.144 0.000 1.001 462 L CA -2.397 52.524 54.840 0.136 0.000 0.843 462 L CB 2.513 44.648 42.059 0.125 0.000 1.436 462 L HN 0.285 nan 8.230 nan 0.000 0.410 463 P HA 0.220 nan 4.420 nan 0.000 0.271 463 P C -0.882 176.105 177.300 -0.522 0.000 1.218 463 P CA 0.008 62.904 63.100 -0.340 0.000 0.780 463 P CB 1.743 33.146 31.700 -0.495 0.000 0.901 464 S N 1.307 116.839 115.700 -0.280 0.000 2.556 464 S HA 0.657 5.126 4.470 -0.002 0.000 0.271 464 S C -1.257 173.264 174.600 -0.132 0.000 1.135 464 S CA -0.818 57.274 58.200 -0.180 0.000 0.858 464 S CB 1.725 64.900 63.200 -0.042 0.000 1.114 464 S HN 0.650 nan 8.310 nan 0.000 0.468 465 R N 1.855 122.307 120.500 -0.079 0.000 2.626 465 R HA 0.404 4.743 4.340 -0.002 0.000 0.274 465 R C -1.779 174.510 176.300 -0.018 0.000 1.031 465 R CA -0.498 55.562 56.100 -0.067 0.000 0.898 465 R CB 1.778 32.031 30.300 -0.078 0.000 1.222 465 R HN 0.726 nan 8.270 nan 0.000 0.455 466 Q N 5.391 125.182 119.800 -0.015 0.000 2.372 466 Q HA 0.326 4.664 4.340 -0.002 0.000 0.259 466 Q C -1.758 174.266 176.000 0.039 0.000 0.993 466 Q CA -2.198 53.618 55.803 0.022 0.000 0.854 466 Q CB 1.646 30.407 28.738 0.037 0.000 1.231 466 Q HN 0.434 nan 8.270 nan 0.000 0.462 467 P HA -0.070 nan 4.420 nan 0.000 0.223 467 P C -0.528 176.899 177.300 0.212 0.000 1.151 467 P CA 0.842 64.010 63.100 0.114 0.000 0.787 467 P CB 0.527 32.272 31.700 0.076 0.000 0.788 468 N N -0.082 118.712 118.700 0.157 0.000 2.229 468 N HA 0.259 4.998 4.740 -0.002 0.000 0.298 468 N C -0.359 175.254 175.510 0.171 0.000 1.114 468 N CA -0.651 52.477 53.050 0.130 0.000 0.776 468 N CB 1.520 39.962 38.487 -0.074 0.000 1.501 468 N HN -0.060 nan 8.380 nan 0.000 0.474 469 F N -0.834 119.247 119.950 0.219 0.000 2.410 469 F HA 0.383 4.909 4.527 -0.002 0.000 0.334 469 F C 1.837 177.705 175.800 0.113 0.000 1.134 469 F CA -0.616 57.494 58.000 0.184 0.000 1.227 469 F CB 0.146 39.290 39.000 0.239 0.000 1.194 469 F HN 0.499 nan 8.300 nan 0.000 0.571 470 T N -2.295 112.401 114.554 0.238 0.000 2.976 470 T HA 0.028 4.377 4.350 -0.002 0.000 0.257 470 T C 0.631 175.427 174.700 0.160 0.000 1.051 470 T CA 0.422 62.587 62.100 0.108 0.000 1.141 470 T CB -0.499 68.429 68.868 0.101 0.000 0.881 470 T HN 0.801 nan 8.240 nan 0.000 0.461 471 E N 1.610 122.010 120.200 0.333 0.000 2.438 471 E HA 0.061 4.410 4.350 -0.002 0.000 0.261 471 E C -0.409 176.405 176.600 0.356 0.000 1.103 471 E CA -0.161 56.422 56.400 0.305 0.000 0.959 471 E CB 0.452 30.320 29.700 0.280 0.000 0.958 471 E HN 0.366 nan 8.360 nan 0.000 0.447 472 K N 4.268 124.807 120.400 0.231 0.000 2.358 472 K HA 0.307 4.626 4.320 -0.002 0.000 0.260 472 K C -0.961 175.757 176.600 0.196 0.000 0.956 472 K CA -0.582 55.830 56.287 0.208 0.000 0.834 472 K CB 0.707 33.274 32.500 0.112 0.000 1.102 472 K HN 0.474 nan 8.250 nan 0.000 0.431 473 L N 3.086 124.450 121.223 0.235 0.000 2.360 473 L HA 0.345 4.684 4.340 -0.002 0.000 0.271 473 L C 0.103 177.047 176.870 0.124 0.000 1.057 473 L CA -0.826 54.109 54.840 0.159 0.000 0.803 473 L CB 1.365 43.521 42.059 0.161 0.000 1.207 473 L HN 0.531 nan 8.230 nan 0.000 0.445 474 E N 4.026 124.279 120.200 0.089 0.000 2.261 474 E HA 0.325 4.674 4.350 -0.002 0.000 0.239 474 E C -0.478 176.169 176.600 0.078 0.000 0.991 474 E CA -0.285 56.161 56.400 0.076 0.000 0.847 474 E CB 0.595 30.328 29.700 0.055 0.000 1.223 474 E HN 0.433 nan 8.360 nan 0.000 0.446 475 L N 3.434 124.717 121.223 0.100 0.000 2.483 475 L HA 0.138 4.477 4.340 -0.002 0.000 0.276 475 L C -1.481 175.465 176.870 0.128 0.000 1.213 475 L CA -1.376 53.533 54.840 0.115 0.000 0.843 475 L CB -0.254 41.880 42.059 0.125 0.000 1.107 475 L HN 0.103 nan 8.230 nan 0.000 0.487 476 P HA 0.063 nan 4.420 nan 0.000 0.271 476 P C -0.579 176.891 177.300 0.284 0.000 1.218 476 P CA -0.405 62.768 63.100 0.121 0.000 0.780 476 P CB 1.034 32.743 31.700 0.015 0.000 0.901 477 S N 1.837 117.651 115.700 0.190 0.000 2.681 477 S HA 0.125 4.593 4.470 -0.002 0.000 0.270 477 S C 1.206 175.877 174.600 0.120 0.000 1.209 477 S CA -0.687 57.641 58.200 0.213 0.000 0.988 477 S CB 0.335 63.588 63.200 0.087 0.000 1.006 477 S HN 0.342 nan 8.310 nan 0.000 0.558 478 L N 1.015 122.085 121.223 -0.254 0.000 2.083 478 L HA -0.048 4.291 4.340 -0.002 0.000 0.209 478 L C 2.634 179.528 176.870 0.040 0.000 1.083 478 L CA 1.775 56.449 54.840 -0.276 0.000 0.752 478 L CB -1.271 40.510 42.059 -0.464 0.000 0.899 478 L HN 0.850 nan 8.230 nan 0.000 0.433 479 Q N -0.736 119.056 119.800 -0.013 0.000 2.181 479 Q HA -0.218 4.120 4.340 -0.002 0.000 0.205 479 Q C 1.533 177.520 176.000 -0.021 0.000 0.980 479 Q CA 1.533 57.331 55.803 -0.008 0.000 0.862 479 Q CB -0.230 28.495 28.738 -0.021 0.000 0.905 479 Q HN 0.581 nan 8.270 nan 0.000 0.429 480 D N -0.228 120.131 120.400 -0.067 0.000 2.309 480 D HA -0.113 4.525 4.640 -0.002 0.000 0.212 480 D C 0.503 176.590 176.300 -0.355 0.000 0.968 480 D CA 0.946 54.807 54.000 -0.231 0.000 0.882 480 D CB 0.041 40.635 40.800 -0.343 0.000 0.918 480 D HN 0.254 nan 8.370 nan 0.000 0.503 481 F N 0.086 120.011 119.950 -0.041 0.000 2.639 481 F HA 0.267 4.793 4.527 -0.002 0.000 0.300 481 F C 2.206 177.986 175.800 -0.034 0.000 1.109 481 F CA -0.497 57.482 58.000 -0.035 0.000 1.335 481 F CB 0.108 39.093 39.000 -0.026 0.000 1.014 481 F HN -0.136 nan 8.300 nan 0.000 0.537 482 G N 0.889 109.733 108.800 0.072 0.000 2.574 482 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.220 482 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.220 482 G C 1.982 176.902 174.900 0.034 0.000 1.173 482 G CA 1.173 46.294 45.100 0.035 0.000 0.772 482 G HN 0.437 nan 8.290 nan 0.000 0.585 483 A N 0.264 123.099 122.820 0.024 0.000 1.978 483 A HA 0.081 4.399 4.320 -0.002 0.000 0.220 483 A C 2.428 180.038 177.584 0.043 0.000 1.170 483 A CA 1.435 53.484 52.037 0.020 0.000 0.636 483 A CB -0.343 18.660 19.000 0.004 0.000 0.810 483 A HN 0.403 nan 8.150 nan 0.000 0.448 484 L N -0.793 120.478 121.223 0.080 0.000 2.291 484 L HA -0.033 4.305 4.340 -0.002 0.000 0.214 484 L C 1.855 178.799 176.870 0.123 0.000 1.120 484 L CA 0.450 55.351 54.840 0.102 0.000 0.799 484 L CB -0.275 41.865 42.059 0.136 0.000 0.925 484 L HN 0.368 nan 8.230 nan 0.000 0.446 485 L N -0.929 120.349 121.223 0.092 0.000 2.591 485 L HA 0.066 4.405 4.340 -0.002 0.000 0.228 485 L C 0.623 177.487 176.870 -0.010 0.000 1.133 485 L CA 0.198 55.069 54.840 0.053 0.000 0.880 485 L CB -0.132 41.928 42.059 0.000 0.000 1.033 485 L HN 0.251 nan 8.230 nan 0.000 0.450 486 E N 0.288 120.495 120.200 0.012 0.000 2.232 486 E HA 0.199 4.547 4.350 -0.002 0.000 0.264 486 E C -0.406 176.195 176.600 0.002 0.000 0.973 486 E CA -0.731 55.662 56.400 -0.012 0.000 0.849 486 E CB 1.419 31.114 29.700 -0.009 0.000 1.198 486 E HN 0.042 nan 8.360 nan 0.000 0.407 487 E N 1.415 121.607 120.200 -0.013 0.000 2.413 487 E HA -0.083 4.265 4.350 -0.002 0.000 0.263 487 E C -0.647 175.945 176.600 -0.013 0.000 1.015 487 E CA -0.122 56.264 56.400 -0.023 0.000 0.916 487 E CB 0.564 30.274 29.700 0.017 0.000 0.947 487 E HN 0.198 nan 8.360 nan 0.000 0.440 488 Q N 2.539 122.308 119.800 -0.051 0.000 2.243 488 Q HA 0.146 4.484 4.340 -0.002 0.000 0.252 488 Q C 0.465 176.483 176.000 0.030 0.000 0.909 488 Q CA -0.211 55.583 55.803 -0.016 0.000 0.922 488 Q CB 1.945 30.664 28.738 -0.032 0.000 1.215 488 Q HN 0.576 nan 8.270 nan 0.000 0.427 489 S N 1.956 117.681 115.700 0.042 0.000 2.345 489 S HA -0.064 4.405 4.470 -0.002 0.000 0.220 489 S C 0.352 174.997 174.600 0.074 0.000 1.031 489 S CA 1.142 59.380 58.200 0.064 0.000 0.996 489 S CB 0.142 63.366 63.200 0.040 0.000 0.882 489 S HN 0.399 nan 8.310 nan 0.000 0.445 490 K N 1.879 122.307 120.400 0.047 0.000 2.185 490 K HA 0.251 4.570 4.320 -0.002 0.000 0.271 490 K C -0.349 176.281 176.600 0.050 0.000 1.013 490 K CA -0.037 56.277 56.287 0.045 0.000 0.943 490 K CB 0.610 33.123 32.500 0.023 0.000 0.998 490 K HN 0.248 nan 8.250 nan 0.000 0.468 491 E N 2.742 122.979 120.200 0.062 0.000 2.290 491 E HA 0.162 4.511 4.350 -0.002 0.000 0.277 491 E C -0.077 176.519 176.600 -0.007 0.000 1.035 491 E CA -0.136 56.300 56.400 0.060 0.000 0.873 491 E CB 0.482 30.240 29.700 0.096 0.000 1.029 491 E HN 0.409 nan 8.360 nan 0.000 0.419 492 I N -1.189 119.343 120.570 -0.063 0.000 3.457 492 I HA 0.609 4.778 4.170 -0.002 0.000 0.307 492 I C -0.267 175.710 176.117 -0.234 0.000 1.138 492 I CA -1.019 60.219 61.300 -0.103 0.000 0.974 492 I CB 2.041 40.004 38.000 -0.062 0.000 1.324 492 I HN 0.414 nan 8.210 nan 0.000 0.485 493 S N -0.817 114.768 115.700 -0.191 0.000 2.726 493 S HA 0.404 4.872 4.470 -0.002 0.000 0.308 493 S C 0.786 175.306 174.600 -0.133 0.000 1.115 493 S CA 0.146 58.195 58.200 -0.250 0.000 0.965 493 S CB 1.306 64.416 63.200 -0.149 0.000 1.145 493 S HN 0.861 nan 8.310 nan 0.000 0.532 494 T N -1.997 112.496 114.554 -0.101 0.000 2.962 494 T HA -0.038 4.310 4.350 -0.002 0.000 0.270 494 T C 1.538 176.259 174.700 0.035 0.000 1.088 494 T CA 1.561 63.651 62.100 -0.016 0.000 1.127 494 T CB -1.088 67.782 68.868 0.003 0.000 0.883 494 T HN 0.613 nan 8.240 nan 0.000 0.493 495 T N 1.955 116.528 114.554 0.031 0.000 2.857 495 T HA 0.224 4.573 4.350 -0.002 0.000 0.266 495 T C 1.862 176.642 174.700 0.133 0.000 1.048 495 T CA 0.727 62.889 62.100 0.104 0.000 1.139 495 T CB -0.331 68.598 68.868 0.102 0.000 0.874 495 T HN 0.376 nan 8.240 nan 0.000 0.455 496 I N 1.375 121.974 120.570 0.047 0.000 2.286 496 I HA -0.152 4.017 4.170 -0.002 0.000 0.248 496 I C 2.850 178.968 176.117 0.002 0.000 1.115 496 I CA 0.904 62.212 61.300 0.013 0.000 1.392 496 I CB -0.383 37.606 38.000 -0.019 0.000 1.065 496 I HN 0.189 nan 8.210 nan 0.000 0.418 497 A N 0.803 123.636 122.820 0.021 0.000 1.933 497 A HA -0.257 4.062 4.320 -0.002 0.000 0.218 497 A C 2.203 179.807 177.584 0.033 0.000 1.175 497 A CA 1.397 53.448 52.037 0.024 0.000 0.628 497 A CB -0.887 18.133 19.000 0.033 0.000 0.814 497 A HN 0.477 nan 8.150 nan 0.000 0.444 498 F N 1.048 120.965 119.950 -0.055 0.000 2.102 498 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 498 F C 2.128 177.866 175.800 -0.104 0.000 1.105 498 F CA 2.010 59.964 58.000 -0.078 0.000 1.239 498 F CB -0.650 38.304 39.000 -0.077 0.000 0.991 498 F HN 0.011 nan 8.300 nan 0.000 0.474 499 V N 1.325 120.964 119.914 -0.458 0.000 2.392 499 V HA -0.298 3.821 4.120 -0.002 0.000 0.249 499 V C 2.571 178.436 176.094 -0.381 0.000 1.059 499 V CA 2.320 64.301 62.300 -0.533 0.000 1.051 499 V CB -0.779 30.908 31.823 -0.228 0.000 0.658 499 V HN 0.318 nan 8.190 nan 0.000 0.455 500 R N 0.059 120.429 120.500 -0.217 0.000 2.092 500 R HA -0.053 4.286 4.340 -0.002 0.000 0.231 500 R C 2.445 178.674 176.300 -0.118 0.000 1.119 500 R CA 1.324 57.342 56.100 -0.137 0.000 0.970 500 R CB -0.551 29.713 30.300 -0.060 0.000 0.864 500 R HN 0.531 nan 8.270 nan 0.000 0.440 501 A N 1.166 123.922 122.820 -0.106 0.000 1.933 501 A HA -0.152 4.167 4.320 -0.002 0.000 0.218 501 A C 2.046 179.573 177.584 -0.095 0.000 1.175 501 A CA 1.010 53.082 52.037 0.058 0.000 0.628 501 A CB -0.351 18.652 19.000 0.005 0.000 0.814 501 A HN 0.197 nan 8.150 nan 0.000 0.444 502 L N 0.402 121.362 121.223 -0.437 0.000 2.093 502 L HA -0.111 4.227 4.340 -0.002 0.000 0.208 502 L C 1.919 178.593 176.870 -0.327 0.000 1.085 502 L CA 1.805 56.310 54.840 -0.557 0.000 0.755 502 L CB -0.701 40.856 42.059 -0.836 0.000 0.904 502 L HN 0.355 nan 8.230 nan 0.000 0.435 503 N N -0.760 117.781 118.700 -0.264 0.000 2.223 503 N HA -0.139 4.599 4.740 -0.002 0.000 0.185 503 N C 1.835 177.242 175.510 -0.171 0.000 1.016 503 N CA 1.556 54.493 53.050 -0.187 0.000 0.863 503 N CB -0.085 38.307 38.487 -0.157 0.000 0.983 503 N HN 0.257 nan 8.380 nan 0.000 0.429 504 V N 1.783 121.584 119.914 -0.189 0.000 2.343 504 V HA -0.191 3.928 4.120 -0.002 0.000 0.247 504 V C 2.349 178.288 176.094 -0.258 0.000 1.051 504 V CA 1.368 63.500 62.300 -0.281 0.000 1.036 504 V CB -0.372 31.140 31.823 -0.518 0.000 0.654 504 V HN 0.272 nan 8.190 nan 0.000 0.451 505 M N -0.834 118.657 119.600 -0.181 0.000 2.229 505 M HA -0.108 4.371 4.480 -0.002 0.000 0.264 505 M C 1.937 178.182 176.300 -0.092 0.000 1.063 505 M CA 1.669 56.908 55.300 -0.102 0.000 1.114 505 M CB -0.346 32.222 32.600 -0.053 0.000 1.387 505 M HN 0.257 nan 8.290 nan 0.000 0.420 506 L N -0.253 120.902 121.223 -0.114 0.000 2.622 506 L HA -0.115 4.224 4.340 -0.002 0.000 0.233 506 L C 1.639 178.466 176.870 -0.072 0.000 1.156 506 L CA 0.787 55.578 54.840 -0.081 0.000 0.866 506 L CB -0.284 41.722 42.059 -0.088 0.000 0.980 506 L HN 0.242 nan 8.230 nan 0.000 0.448 507 K N -0.745 119.600 120.400 -0.092 0.000 2.358 507 K HA 0.081 4.400 4.320 -0.002 0.000 0.200 507 K C 0.500 177.057 176.600 -0.072 0.000 1.030 507 K CA -0.188 56.050 56.287 -0.082 0.000 1.097 507 K CB 0.259 32.698 32.500 -0.101 0.000 0.862 507 K HN 0.114 nan 8.250 nan 0.000 0.534 508 N N 2.074 120.734 118.700 -0.068 0.000 2.422 508 N HA 0.042 4.781 4.740 -0.002 0.000 0.264 508 N C 0.265 175.760 175.510 -0.025 0.000 1.063 508 N CA 0.144 53.166 53.050 -0.046 0.000 0.959 508 N CB 0.968 39.434 38.487 -0.036 0.000 1.087 508 N HN -0.008 nan 8.380 nan 0.000 0.483 509 K N 1.566 121.955 120.400 -0.019 0.000 2.032 509 K HA -0.151 4.168 4.320 -0.002 0.000 0.209 509 K C 1.746 178.344 176.600 -0.003 0.000 1.048 509 K CA 1.321 57.602 56.287 -0.011 0.000 0.927 509 K CB -0.174 32.322 32.500 -0.007 0.000 0.712 509 K HN 0.435 nan 8.250 nan 0.000 0.441 510 S N 1.013 116.716 115.700 0.005 0.000 2.399 510 S HA -0.091 4.377 4.470 -0.002 0.000 0.231 510 S C 1.760 176.362 174.600 0.004 0.000 1.022 510 S CA 1.384 59.592 58.200 0.013 0.000 0.983 510 S CB -0.118 63.100 63.200 0.030 0.000 0.803 510 S HN 0.444 nan 8.310 nan 0.000 0.480 511 I N -1.675 118.895 120.570 0.000 0.000 4.327 511 I HA 0.301 4.470 4.170 -0.002 0.000 0.331 511 I C 1.593 177.709 176.117 -0.001 0.000 1.348 511 I CA -0.099 61.195 61.300 -0.009 0.000 1.152 511 I CB -0.149 37.849 38.000 -0.004 0.000 1.151 511 I HN 0.092 nan 8.210 nan 0.000 0.410 512 K N 1.506 121.903 120.400 -0.005 0.000 2.059 512 K HA -0.222 4.097 4.320 -0.002 0.000 0.212 512 K C 0.961 177.566 176.600 0.010 0.000 1.050 512 K CA 2.441 58.725 56.287 -0.005 0.000 0.927 512 K CB -0.593 31.898 32.500 -0.015 0.000 0.714 512 K HN 0.337 nan 8.250 nan 0.000 0.447 513 D N -0.019 120.383 120.400 0.003 0.000 2.347 513 D HA -0.008 4.630 4.640 -0.002 0.000 0.213 513 D C 1.613 177.924 176.300 0.018 0.000 0.985 513 D CA 0.368 54.370 54.000 0.004 0.000 0.879 513 D CB 0.176 40.965 40.800 -0.018 0.000 0.919 513 D HN 0.222 nan 8.370 nan 0.000 0.526 514 R N 0.283 120.792 120.500 0.015 0.000 2.276 514 R HA 0.176 4.514 4.340 -0.002 0.000 0.196 514 R C 0.875 177.215 176.300 0.066 0.000 0.961 514 R CA -0.074 56.035 56.100 0.015 0.000 1.024 514 R CB -0.154 30.110 30.300 -0.060 0.000 0.940 514 R HN 0.219 nan 8.270 nan 0.000 0.480 515 L N 1.163 122.448 121.223 0.102 0.000 2.426 515 L HA 0.171 4.510 4.340 -0.002 0.000 0.271 515 L C 0.104 177.124 176.870 0.249 0.000 1.169 515 L CA -0.246 54.709 54.840 0.193 0.000 0.836 515 L CB 0.953 43.107 42.059 0.159 0.000 1.112 515 L HN -0.281 nan 8.230 nan 0.000 0.465 516 V N 3.627 123.732 119.914 0.318 0.000 2.380 516 V HA 0.248 4.367 4.120 -0.002 0.000 0.268 516 V C -2.329 173.981 176.094 0.358 0.000 1.008 516 V CA -1.403 61.084 62.300 0.312 0.000 0.823 516 V CB 1.234 33.208 31.823 0.252 0.000 1.053 516 V HN 0.600 nan 8.190 nan 0.000 0.446 517 P HA 0.413 nan 4.420 nan 0.000 0.276 517 P C -0.569 176.946 177.300 0.359 0.000 1.230 517 P CA 0.163 63.490 63.100 0.378 0.000 0.776 517 P CB 0.804 32.667 31.700 0.271 0.000 0.888 518 I N 4.029 124.853 120.570 0.423 0.000 2.533 518 I HA 0.491 4.660 4.170 -0.002 0.000 0.290 518 I C -0.119 176.296 176.117 0.496 0.000 1.056 518 I CA -0.646 60.878 61.300 0.373 0.000 1.057 518 I CB 1.789 39.951 38.000 0.269 0.000 1.240 518 I HN 0.144 nan 8.210 nan 0.000 0.423 519 I N 3.879 124.703 120.570 0.423 0.000 2.865 519 I HA 0.571 4.740 4.170 -0.002 0.000 0.302 519 I C -0.246 176.120 176.117 0.415 0.000 1.140 519 I CA -0.799 60.788 61.300 0.479 0.000 1.021 519 I CB 2.436 40.715 38.000 0.466 0.000 1.233 519 I HN 0.613 nan 8.210 nan 0.000 0.427 520 A N 2.973 126.075 122.820 0.469 0.000 2.937 520 A HA 0.528 4.847 4.320 -0.002 0.000 0.338 520 A C 0.192 177.967 177.584 0.319 0.000 1.273 520 A CA -0.000 52.251 52.037 0.358 0.000 0.937 520 A CB -0.059 19.178 19.000 0.395 0.000 1.133 520 A HN 0.954 nan 8.150 nan 0.000 0.491 521 D N 0.718 121.274 120.400 0.261 0.000 4.286 521 D HA -0.215 4.424 4.640 -0.002 0.000 0.203 521 D C 0.243 176.702 176.300 0.264 0.000 1.071 521 D CA 2.245 56.375 54.000 0.216 0.000 2.291 521 D CB -1.269 39.633 40.800 0.171 0.000 1.164 521 D HN 0.577 nan 8.370 nan 0.000 0.407 522 E N 0.990 121.376 120.200 0.309 0.000 2.614 522 E HA 0.293 4.642 4.350 -0.002 0.000 0.245 522 E C 0.389 177.191 176.600 0.337 0.000 1.039 522 E CA 0.758 57.325 56.400 0.278 0.000 0.948 522 E CB 0.867 30.756 29.700 0.315 0.000 0.937 522 E HN 0.453 nan 8.360 nan 0.000 0.498 523 A N 4.571 127.555 122.820 0.272 0.000 1.917 523 A HA 0.053 4.371 4.320 -0.002 0.000 0.200 523 A C 1.784 179.469 177.584 0.169 0.000 1.671 523 A CA -0.099 52.154 52.037 0.359 0.000 1.034 523 A CB 0.190 19.560 19.000 0.617 0.000 1.057 523 A HN 0.461 nan 8.150 nan 0.000 0.507 524 R N 0.229 120.803 120.500 0.122 0.000 2.152 524 R HA -0.072 4.267 4.340 -0.002 0.000 0.232 524 R C 1.802 178.062 176.300 -0.067 0.000 1.117 524 R CA 1.765 57.890 56.100 0.043 0.000 0.981 524 R CB -0.568 29.768 30.300 0.060 0.000 0.870 524 R HN 0.478 nan 8.270 nan 0.000 0.451 525 T N 0.391 114.819 114.554 -0.210 0.000 2.833 525 T HA -0.082 4.267 4.350 -0.002 0.000 0.269 525 T C 0.725 175.123 174.700 -0.504 0.000 1.054 525 T CA 1.081 62.922 62.100 -0.432 0.000 1.135 525 T CB -0.073 68.362 68.868 -0.721 0.000 0.869 525 T HN 0.119 nan 8.240 nan 0.000 0.466 526 F N 0.536 120.476 119.950 -0.018 0.000 2.641 526 F HA 0.451 4.976 4.527 -0.003 0.000 0.302 526 F C 1.676 177.468 175.800 -0.013 0.000 1.098 526 F CA -1.191 56.794 58.000 -0.026 0.000 1.318 526 F CB -0.623 38.372 39.000 -0.008 0.000 1.035 526 F HN 0.171 nan 8.300 nan 0.000 0.551 527 G N 0.796 109.636 108.800 0.067 0.000 2.341 527 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.292 527 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.292 527 G C 1.033 175.910 174.900 -0.038 0.000 1.021 527 G CA 0.533 45.639 45.100 0.011 0.000 0.905 527 G HN 0.215 nan 8.290 nan 0.000 0.508 528 M N 0.030 119.588 119.600 -0.071 0.000 2.501 528 M HA 0.040 4.519 4.480 -0.002 0.000 0.261 528 M C 2.442 178.355 176.300 -0.645 0.000 1.129 528 M CA 1.302 56.438 55.300 -0.273 0.000 1.126 528 M CB -0.469 32.012 32.600 -0.198 0.000 1.359 528 M HN 0.610 nan 8.290 nan 0.000 0.471 529 E N 0.541 120.454 120.200 -0.478 0.000 2.284 529 E HA -0.181 4.168 4.350 -0.002 0.000 0.200 529 E C 1.697 178.160 176.600 -0.228 0.000 1.008 529 E CA 1.815 57.997 56.400 -0.363 0.000 0.829 529 E CB -1.077 28.649 29.700 0.043 0.000 0.744 529 E HN 0.485 nan 8.360 nan 0.000 0.491 530 G N 0.966 109.648 108.800 -0.197 0.000 2.509 530 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.218 530 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.218 530 G C 1.657 176.483 174.900 -0.123 0.000 1.124 530 G CA 0.464 45.495 45.100 -0.114 0.000 0.776 530 G HN 0.255 nan 8.290 nan 0.000 0.547 531 L N -0.902 120.184 121.223 -0.230 0.000 2.298 531 L HA 0.220 4.559 4.340 -0.002 0.000 0.209 531 L C 2.251 179.123 176.870 0.004 0.000 1.084 531 L CA -0.074 54.677 54.840 -0.149 0.000 0.816 531 L CB -0.211 41.728 42.059 -0.200 0.000 0.967 531 L HN 0.031 nan 8.230 nan 0.000 0.460 532 F N 1.028 121.006 119.950 0.047 0.000 2.236 532 F HA -0.203 4.322 4.527 -0.003 0.000 0.302 532 F C 2.529 178.354 175.800 0.041 0.000 1.073 532 F CA 1.101 59.135 58.000 0.056 0.000 1.336 532 F CB -0.824 38.213 39.000 0.061 0.000 1.040 532 F HN 0.031 nan 8.300 nan 0.000 0.507 533 R N -0.271 120.345 120.500 0.194 0.000 2.093 533 R HA -0.076 4.263 4.340 -0.002 0.000 0.224 533 R C 2.098 178.445 176.300 0.079 0.000 1.101 533 R CA 1.041 57.209 56.100 0.114 0.000 0.979 533 R CB -0.408 29.935 30.300 0.072 0.000 0.877 533 R HN 0.368 nan 8.270 nan 0.000 0.441 534 Q N 0.671 120.508 119.800 0.062 0.000 1.969 534 Q HA -0.047 4.292 4.340 -0.002 0.000 0.198 534 Q C 2.197 178.230 176.000 0.055 0.000 0.978 534 Q CA 1.513 57.339 55.803 0.038 0.000 0.830 534 Q CB -0.002 28.739 28.738 0.006 0.000 0.896 534 Q HN 0.449 nan 8.270 nan 0.000 0.431 535 I N -3.117 117.502 120.570 0.081 0.000 3.783 535 I HA 0.376 4.545 4.170 -0.002 0.000 0.310 535 I C 0.806 177.005 176.117 0.136 0.000 1.274 535 I CA 0.265 61.623 61.300 0.097 0.000 1.294 535 I CB -0.130 37.929 38.000 0.099 0.000 1.051 535 I HN 0.188 nan 8.210 nan 0.000 0.435 536 G N 2.564 111.467 108.800 0.171 0.000 2.846 536 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.660 536 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.660 536 G C -0.715 174.308 174.900 0.206 0.000 1.464 536 G CA -0.420 44.781 45.100 0.169 0.000 0.891 536 G HN 0.342 nan 8.290 nan 0.000 0.552 537 I N 0.829 121.476 120.570 0.128 0.000 2.336 537 I HA 0.257 4.425 4.170 -0.002 0.000 0.292 537 I C 0.376 176.592 176.117 0.166 0.000 0.991 537 I CA -0.822 60.549 61.300 0.119 0.000 1.227 537 I CB 1.507 39.462 38.000 -0.075 0.000 1.366 537 I HN 0.571 nan 8.210 nan 0.000 0.466 538 Y N 6.446 126.827 120.300 0.135 0.000 2.650 538 Y HA 0.084 4.633 4.550 -0.002 0.000 0.331 538 Y C 0.374 176.328 175.900 0.090 0.000 1.165 538 Y CA 0.356 58.551 58.100 0.158 0.000 1.473 538 Y CB 0.499 39.147 38.460 0.312 0.000 1.224 538 Y HN 0.502 nan 8.280 nan 0.000 0.533 539 S N 8.440 123.899 115.700 -0.401 0.000 2.385 539 S HA 0.422 4.891 4.470 -0.002 0.000 0.191 539 S C -2.776 171.567 174.600 -0.429 0.000 1.196 539 S CA -1.131 56.837 58.200 -0.386 0.000 1.178 539 S CB 0.224 63.319 63.200 -0.175 0.000 1.258 539 S HN 0.543 nan 8.310 nan 0.000 0.430 559 D N 1.190 121.562 120.400 -0.046 0.000 2.838 559 D HA -0.011 4.628 4.640 -0.002 0.000 0.334 559 D C 0.794 177.024 176.300 -0.116 0.000 1.315 559 D CA -0.226 53.716 54.000 -0.096 0.000 0.917 559 D CB -0.007 40.750 40.800 -0.073 0.000 1.435 559 D HN 0.287 nan 8.370 nan 0.000 0.517 560 E N 0.129 120.221 120.200 -0.179 0.000 2.331 560 E HA -0.157 4.192 4.350 -0.002 0.000 0.199 560 E C 1.104 177.759 176.600 0.091 0.000 1.008 560 E CA 0.994 57.284 56.400 -0.183 0.000 0.843 560 E CB -0.218 29.233 29.700 -0.416 0.000 0.761 560 E HN 0.298 nan 8.360 nan 0.000 0.507 561 K N 0.979 121.409 120.400 0.050 0.000 2.367 561 K HA 0.119 4.438 4.320 -0.002 0.000 0.194 561 K C 0.907 177.574 176.600 0.110 0.000 1.027 561 K CA 0.219 56.542 56.287 0.061 0.000 1.075 561 K CB 0.631 33.138 32.500 0.012 0.000 0.845 561 K HN 0.137 nan 8.250 nan 0.000 0.529 562 G N 1.385 110.294 108.800 0.181 0.000 2.391 562 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.234 562 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.234 562 G C 0.240 175.323 174.900 0.304 0.000 1.284 562 G CA -0.057 45.176 45.100 0.222 0.000 0.873 562 G HN 0.245 nan 8.290 nan 0.000 0.549 563 Q N 1.286 121.240 119.800 0.256 0.000 2.339 563 Q HA 0.149 4.488 4.340 -0.002 0.000 0.205 563 Q C 0.943 177.172 176.000 0.381 0.000 0.925 563 Q CA 0.060 56.039 55.803 0.293 0.000 0.898 563 Q CB 0.079 28.932 28.738 0.191 0.000 1.013 563 Q HN 0.656 nan 8.270 nan 0.000 0.504 564 I N 2.131 122.908 120.570 0.345 0.000 2.474 564 I HA 0.094 4.262 4.170 -0.002 0.000 0.287 564 I C -0.488 175.821 176.117 0.320 0.000 1.048 564 I CA -0.319 61.186 61.300 0.343 0.000 1.383 564 I CB 1.058 39.312 38.000 0.422 0.000 1.412 564 I HN 0.118 nan 8.210 nan 0.000 0.531 565 L N 6.284 127.659 121.223 0.254 0.000 2.257 565 L HA 0.285 4.623 4.340 -0.002 0.000 0.290 565 L C -0.169 176.832 176.870 0.219 0.000 1.044 565 L CA -0.473 54.489 54.840 0.205 0.000 0.810 565 L CB 0.946 43.050 42.059 0.076 0.000 1.193 565 L HN 0.542 nan 8.230 nan 0.000 0.425 566 Q N 2.855 122.775 119.800 0.200 0.000 2.430 566 Q HA 0.147 4.486 4.340 -0.002 0.000 0.245 566 Q C 0.128 176.220 176.000 0.153 0.000 1.021 566 Q CA -0.046 55.858 55.803 0.169 0.000 0.867 566 Q CB 0.971 29.763 28.738 0.090 0.000 1.210 566 Q HN 0.392 nan 8.270 nan 0.000 0.487 567 E N 2.925 123.219 120.200 0.156 0.000 2.479 567 E HA 0.208 4.557 4.350 -0.002 0.000 0.193 567 E C 0.696 177.370 176.600 0.122 0.000 1.049 567 E CA 0.583 57.067 56.400 0.140 0.000 0.870 567 E CB 0.198 29.946 29.700 0.080 0.000 0.944 567 E HN 0.904 nan 8.360 nan 0.000 0.492 568 G N 1.935 110.811 108.800 0.128 0.000 2.645 568 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.239 568 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.239 568 G C 0.125 175.090 174.900 0.109 0.000 1.331 568 G CA -0.232 44.934 45.100 0.109 0.000 0.890 568 G HN 0.237 nan 8.290 nan 0.000 0.572 569 I N 2.094 122.708 120.570 0.074 0.000 2.366 569 I HA 0.206 4.375 4.170 -0.002 0.000 0.302 569 I C 0.617 176.745 176.117 0.018 0.000 1.194 569 I CA 0.288 61.615 61.300 0.044 0.000 1.667 569 I CB -0.425 37.580 38.000 0.007 0.000 1.501 569 I HN 0.404 nan 8.210 nan 0.000 0.776 570 N N 3.481 122.200 118.700 0.031 0.000 2.785 570 N HA 0.083 4.822 4.740 -0.002 0.000 0.224 570 N C 0.574 176.064 175.510 -0.035 0.000 1.448 570 N CA -0.119 52.926 53.050 -0.008 0.000 0.748 570 N CB 0.660 39.155 38.487 0.013 0.000 1.385 570 N HN 0.186 nan 8.380 nan 0.000 0.538 571 E N 0.348 120.539 120.200 -0.015 0.000 2.118 571 E HA -0.127 4.222 4.350 -0.002 0.000 0.195 571 E C 1.570 178.094 176.600 -0.127 0.000 0.992 571 E CA 0.970 57.371 56.400 0.002 0.000 0.804 571 E CB 0.149 29.846 29.700 -0.005 0.000 0.741 571 E HN 0.491 nan 8.360 nan 0.000 0.458 572 L N -0.114 121.026 121.223 -0.139 0.000 2.056 572 L HA -0.006 4.333 4.340 -0.002 0.000 0.207 572 L C 2.072 178.751 176.870 -0.318 0.000 1.078 572 L CA 2.194 56.927 54.840 -0.177 0.000 0.749 572 L CB -0.928 41.066 42.059 -0.108 0.000 0.901 572 L HN 0.190 nan 8.230 nan 0.000 0.433 573 G N -1.273 107.294 108.800 -0.389 0.000 2.402 573 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.216 573 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.216 573 G C 1.597 175.937 174.900 -0.932 0.000 1.162 573 G CA 0.709 45.261 45.100 -0.912 0.000 0.777 573 G HN 0.600 nan 8.290 nan 0.000 0.539 574 A N 0.905 123.399 122.820 -0.543 0.000 1.933 574 A HA 0.170 4.489 4.320 -0.002 0.000 0.218 574 A C 2.694 179.824 177.584 -0.757 0.000 1.175 574 A CA 2.019 53.688 52.037 -0.614 0.000 0.628 574 A CB -1.014 17.585 19.000 -0.669 0.000 0.814 574 A HN 0.509 nan 8.150 nan 0.000 0.444 575 G N -1.041 107.383 108.800 -0.625 0.000 2.422 575 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.218 575 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.218 575 G C 1.515 176.309 174.900 -0.177 0.000 1.146 575 G CA 1.330 46.198 45.100 -0.386 0.000 0.769 575 G HN 0.525 nan 8.290 nan 0.000 0.547 576 C N 0.415 119.541 119.300 -0.290 0.000 2.450 576 C HA 0.093 4.552 4.460 -0.002 0.000 0.279 576 C C 3.339 178.261 174.990 -0.113 0.000 1.335 576 C CA 1.011 59.926 59.018 -0.171 0.000 1.749 576 C CB -0.644 26.962 27.740 -0.223 0.000 1.963 576 C HN 0.396 nan 8.230 nan 0.000 0.501 577 S N -0.502 115.082 115.700 -0.193 0.000 2.387 577 S HA -0.187 4.282 4.470 -0.002 0.000 0.226 577 S C 1.421 175.916 174.600 -0.176 0.000 1.026 577 S CA 1.188 59.334 58.200 -0.090 0.000 0.972 577 S CB -0.377 62.804 63.200 -0.032 0.000 0.814 577 S HN 0.843 nan 8.310 nan 0.000 0.477 578 W N 2.153 123.264 121.300 -0.314 0.000 2.358 578 W HA -0.102 4.556 4.660 -0.003 0.000 0.303 578 W C 1.800 178.184 176.519 -0.225 0.000 1.208 578 W CA 0.920 58.119 57.345 -0.243 0.000 1.274 578 W CB -0.459 28.868 29.460 -0.222 0.000 1.138 578 W HN 0.255 nan 8.180 nan 0.000 0.515 579 L N 1.641 122.847 121.223 -0.030 0.000 2.056 579 L HA -0.009 4.330 4.340 -0.002 0.000 0.207 579 L C 2.467 179.167 176.870 -0.284 0.000 1.078 579 L CA 2.727 57.472 54.840 -0.159 0.000 0.749 579 L CB -1.427 40.683 42.059 0.086 0.000 0.901 579 L HN 0.064 nan 8.230 nan 0.000 0.433 580 A N -0.509 122.132 122.820 -0.297 0.000 1.902 580 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 580 A C 2.414 179.504 177.584 -0.823 0.000 1.181 580 A CA 1.854 53.652 52.037 -0.399 0.000 0.623 580 A CB -1.101 17.691 19.000 -0.347 0.000 0.818 580 A HN 0.574 nan 8.150 nan 0.000 0.443 581 A N -0.482 121.660 122.820 -1.130 0.000 1.930 581 A HA 0.335 4.654 4.320 -0.002 0.000 0.215 581 A C 2.359 179.667 177.584 -0.460 0.000 1.176 581 A CA 1.525 52.945 52.037 -1.028 0.000 0.632 581 A CB -0.792 17.768 19.000 -0.733 0.000 0.819 581 A HN 1.040 nan 8.150 nan 0.000 0.445 582 A N -0.363 122.109 122.820 -0.581 0.000 2.168 582 A HA 0.079 4.398 4.320 -0.002 0.000 0.215 582 A C 1.872 179.411 177.584 -0.075 0.000 1.152 582 A CA 1.908 53.667 52.037 -0.463 0.000 0.716 582 A CB -0.717 17.610 19.000 -1.121 0.000 0.794 582 A HN 0.738 nan 8.150 nan 0.000 0.465 583 T N -4.883 109.597 114.554 -0.123 0.000 3.091 583 T HA 0.186 4.535 4.350 -0.002 0.000 0.277 583 T C 1.414 175.985 174.700 -0.214 0.000 0.996 583 T CA 0.695 62.713 62.100 -0.136 0.000 0.897 583 T CB 0.095 68.899 68.868 -0.107 0.000 1.109 583 T HN 0.165 nan 8.240 nan 0.000 0.534 584 S N 1.582 117.255 115.700 -0.046 0.000 2.399 584 S HA -0.147 4.322 4.470 -0.002 0.000 0.231 584 S C 1.892 176.523 174.600 0.052 0.000 1.022 584 S CA 1.339 59.580 58.200 0.069 0.000 0.983 584 S CB -0.682 62.657 63.200 0.231 0.000 0.803 584 S HN 0.818 nan 8.310 nan 0.000 0.480 585 Y N 0.852 121.213 120.300 0.101 0.000 2.256 585 Y HA 0.031 4.579 4.550 -0.002 0.000 0.288 585 Y C 2.506 178.513 175.900 0.179 0.000 1.155 585 Y CA 1.476 59.655 58.100 0.132 0.000 1.203 585 Y CB -1.018 37.555 38.460 0.188 0.000 0.980 585 Y HN 0.316 nan 8.280 nan 0.000 0.530 586 S N -0.455 114.821 115.700 -0.707 0.000 2.444 586 S HA -0.066 4.403 4.470 -0.002 0.000 0.223 586 S C 1.880 176.372 174.600 -0.180 0.000 1.054 586 S CA 0.996 58.923 58.200 -0.455 0.000 0.947 586 S CB -0.848 61.924 63.200 -0.713 0.000 0.850 586 S HN 0.560 nan 8.310 nan 0.000 0.527 587 T N 2.952 117.410 114.554 -0.160 0.000 2.720 587 T HA 0.005 4.354 4.350 -0.002 0.000 0.268 587 T C 1.069 175.800 174.700 0.052 0.000 1.037 587 T CA 1.456 63.551 62.100 -0.009 0.000 1.144 587 T CB -0.278 68.653 68.868 0.105 0.000 0.864 587 T HN 0.476 nan 8.240 nan 0.000 0.444 588 N N 0.640 119.380 118.700 0.068 0.000 2.200 588 N HA 0.108 4.846 4.740 -0.002 0.000 0.224 588 N C 0.097 175.661 175.510 0.090 0.000 1.179 588 N CA -0.029 53.074 53.050 0.087 0.000 0.877 588 N CB 0.288 38.840 38.487 0.108 0.000 1.072 588 N HN 0.223 nan 8.380 nan 0.000 0.519 589 N N 0.916 119.676 118.700 0.100 0.000 2.710 589 N HA -0.221 4.517 4.740 -0.002 0.000 0.249 589 N C -1.218 174.383 175.510 0.151 0.000 1.059 589 N CA 0.328 53.472 53.050 0.157 0.000 0.720 589 N CB -1.223 37.346 38.487 0.136 0.000 0.983 589 N HN 0.350 nan 8.380 nan 0.000 0.544 590 L N 0.401 121.699 121.223 0.126 0.000 2.492 590 L HA 0.558 4.897 4.340 -0.002 0.000 0.258 590 L C -2.398 174.507 176.870 0.059 0.000 1.028 590 L CA -1.582 53.305 54.840 0.079 0.000 0.900 590 L CB 1.429 43.533 42.059 0.074 0.000 1.191 590 L HN -0.044 nan 8.230 nan 0.000 0.459 591 P HA 0.147 nan 4.420 nan 0.000 0.267 591 P C -1.065 176.157 177.300 -0.129 0.000 1.205 591 P CA 0.084 63.108 63.100 -0.127 0.000 0.765 591 P CB 0.887 32.213 31.700 -0.624 0.000 0.828 592 M N 3.784 123.340 119.600 -0.072 0.000 2.464 592 M HA 0.453 4.932 4.480 -0.002 0.000 0.308 592 M C -0.050 176.112 176.300 -0.229 0.000 1.127 592 M CA -0.797 54.469 55.300 -0.056 0.000 0.913 592 M CB 2.017 34.726 32.600 0.182 0.000 1.689 592 M HN 0.233 nan 8.290 nan 0.000 0.445 593 I N 5.022 125.471 120.570 -0.202 0.000 2.428 593 I HA 0.303 4.472 4.170 -0.002 0.000 0.279 593 I C -2.193 173.940 176.117 0.027 0.000 1.040 593 I CA -1.546 59.630 61.300 -0.206 0.000 1.171 593 I CB 1.591 39.468 38.000 -0.206 0.000 1.312 593 I HN 0.233 nan 8.210 nan 0.000 0.470 594 P HA 0.352 nan 4.420 nan 0.000 0.286 594 P C -1.130 176.281 177.300 0.185 0.000 1.261 594 P CA -0.361 62.799 63.100 0.101 0.000 0.821 594 P CB 1.101 32.710 31.700 -0.152 0.000 1.013 595 F N 2.246 122.490 119.950 0.489 0.000 2.577 595 F HA 0.269 4.795 4.527 -0.002 0.000 0.344 595 F C -0.233 175.893 175.800 0.544 0.000 1.145 595 F CA -0.716 57.613 58.000 0.549 0.000 0.996 595 F CB 1.236 40.519 39.000 0.471 0.000 1.248 595 F HN 0.233 nan 8.300 nan 0.000 0.447 596 Y N 5.711 126.293 120.300 0.471 0.000 2.342 596 Y HA 0.634 5.183 4.550 -0.002 0.000 0.338 596 Y C -1.139 174.869 175.900 0.180 0.000 0.965 596 Y CA -2.081 56.197 58.100 0.297 0.000 1.159 596 Y CB 0.813 39.350 38.460 0.129 0.000 1.157 596 Y HN 0.572 nan 8.280 nan 0.000 0.486 597 I N 9.207 129.790 120.570 0.022 0.000 2.404 597 I HA 0.506 4.675 4.170 -0.002 0.000 0.293 597 I C -1.686 174.080 176.117 -0.585 0.000 0.992 597 I CA -0.706 60.281 61.300 -0.522 0.000 1.149 597 I CB 0.954 38.633 38.000 -0.536 0.000 1.315 597 I HN 0.707 nan 8.210 nan 0.000 0.446 598 Y N 3.802 123.616 120.300 -0.810 0.000 2.764 598 Y HA 0.435 4.984 4.550 -0.002 0.000 0.331 598 Y C -1.837 173.985 175.900 -0.131 0.000 1.280 598 Y CA -1.462 56.431 58.100 -0.346 0.000 1.065 598 Y CB 0.302 38.556 38.460 -0.345 0.000 1.319 598 Y HN 0.331 nan 8.280 nan 0.000 0.453 599 Y N 2.224 122.757 120.300 0.389 0.000 2.569 599 Y HA 0.160 4.709 4.550 -0.002 0.000 0.332 599 Y C 1.908 177.845 175.900 0.063 0.000 1.120 599 Y CA 1.065 59.312 58.100 0.245 0.000 1.416 599 Y CB 1.180 39.813 38.460 0.288 0.000 1.210 599 Y HN 0.814 nan 8.280 nan 0.000 0.528 600 S N 2.329 118.017 115.700 -0.020 0.000 2.392 600 S HA -0.364 4.104 4.470 -0.002 0.000 0.232 600 S C 1.981 176.629 174.600 0.079 0.000 1.041 600 S CA 1.680 59.896 58.200 0.026 0.000 1.026 600 S CB -0.373 62.827 63.200 0.001 0.000 0.845 600 S HN 0.833 nan 8.310 nan 0.000 0.465 601 M N 1.376 120.893 119.600 -0.138 0.000 2.149 601 M HA 0.097 4.576 4.480 -0.002 0.000 0.261 601 M C 0.502 176.679 176.300 -0.205 0.000 1.064 601 M CA 1.340 56.450 55.300 -0.315 0.000 1.102 601 M CB -0.852 31.370 32.600 -0.631 0.000 1.369 601 M HN 0.329 nan 8.290 nan 0.000 0.408 602 F N -0.263 119.786 119.950 0.165 0.000 2.696 602 F HA 0.416 4.941 4.527 -0.002 0.000 0.296 602 F C 1.535 177.324 175.800 -0.018 0.000 1.181 602 F CA -0.274 57.775 58.000 0.082 0.000 1.411 602 F CB -1.668 37.387 39.000 0.091 0.000 1.014 602 F HN 0.126 nan 8.300 nan 0.000 0.512 603 G N -0.237 108.644 108.800 0.134 0.000 3.226 603 G HA2 0.056 4.014 3.960 -0.002 0.000 0.190 603 G HA3 0.056 4.014 3.960 -0.002 0.000 0.190 603 G C 1.045 175.799 174.900 -0.244 0.000 1.988 603 G CA -0.157 44.838 45.100 -0.175 0.000 0.859 603 G HN 0.119 nan 8.290 nan 0.000 0.631 604 F N 0.925 120.797 119.950 -0.131 0.000 2.192 604 F HA -0.082 4.444 4.527 -0.002 0.000 0.301 604 F C 2.894 178.675 175.800 -0.032 0.000 1.079 604 F CA 1.713 59.649 58.000 -0.108 0.000 1.303 604 F CB -0.276 38.632 39.000 -0.155 0.000 1.024 604 F HN 0.310 nan 8.300 nan 0.000 0.494 605 Q N 0.432 120.336 119.800 0.174 0.000 2.170 605 Q HA -0.201 4.138 4.340 -0.002 0.000 0.203 605 Q C 2.400 178.466 176.000 0.109 0.000 0.976 605 Q CA 1.522 57.416 55.803 0.152 0.000 0.858 605 Q CB -0.022 28.825 28.738 0.183 0.000 0.907 605 Q HN 0.401 nan 8.270 nan 0.000 0.433 606 R N 0.118 120.668 120.500 0.084 0.000 2.146 606 R HA 0.103 4.441 4.340 -0.002 0.000 0.206 606 R C 1.460 177.758 176.300 -0.003 0.000 1.049 606 R CA 0.877 57.010 56.100 0.054 0.000 1.029 606 R CB 0.311 30.662 30.300 0.084 0.000 0.949 606 R HN 0.455 nan 8.270 nan 0.000 0.471 607 I N -3.410 117.126 120.570 -0.057 0.000 3.569 607 I HA 0.457 4.626 4.170 -0.002 0.000 0.334 607 I C 0.987 177.072 176.117 -0.054 0.000 1.570 607 I CA -0.315 60.937 61.300 -0.080 0.000 1.082 607 I CB 0.997 38.901 38.000 -0.159 0.000 1.323 607 I HN -0.014 nan 8.210 nan 0.000 0.489 608 G N 1.412 110.224 108.800 0.021 0.000 2.475 608 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.220 608 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.220 608 G C 1.079 176.071 174.900 0.153 0.000 1.125 608 G CA 1.480 46.652 45.100 0.121 0.000 0.755 608 G HN 0.511 nan 8.290 nan 0.000 0.565 609 D N -0.544 119.917 120.400 0.102 0.000 2.178 609 D HA -0.051 4.587 4.640 -0.002 0.000 0.202 609 D C 2.270 178.682 176.300 0.187 0.000 0.974 609 D CA 0.359 54.442 54.000 0.137 0.000 0.841 609 D CB -0.099 40.748 40.800 0.079 0.000 0.953 609 D HN 0.211 nan 8.370 nan 0.000 0.478 610 L N -0.319 120.970 121.223 0.111 0.000 2.179 610 L HA -0.009 4.330 4.340 -0.002 0.000 0.208 610 L C 1.888 178.833 176.870 0.125 0.000 1.096 610 L CA 1.261 56.161 54.840 0.098 0.000 0.779 610 L CB -0.327 41.738 42.059 0.011 0.000 0.922 610 L HN 0.158 nan 8.230 nan 0.000 0.443 611 C N -1.363 118.005 119.300 0.114 0.000 2.435 611 C HA -0.159 4.300 4.460 -0.002 0.000 0.279 611 C C 2.489 177.702 174.990 0.371 0.000 1.321 611 C CA 0.439 59.560 59.018 0.171 0.000 1.752 611 C CB -1.416 26.432 27.740 0.180 0.000 1.959 611 C HN 0.799 nan 8.230 nan 0.000 0.500 612 W N 1.653 123.063 121.300 0.183 0.000 2.409 612 W HA -0.075 4.584 4.660 -0.002 0.000 0.299 612 W C 2.391 179.019 176.519 0.182 0.000 1.203 612 W CA 1.494 58.945 57.345 0.177 0.000 1.298 612 W CB -0.406 29.128 29.460 0.123 0.000 1.127 612 W HN 0.319 nan 8.180 nan 0.000 0.528 613 A N 0.828 123.837 122.820 0.315 0.000 1.972 613 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 613 A C 2.103 179.792 177.584 0.176 0.000 1.169 613 A CA 2.243 54.416 52.037 0.226 0.000 0.635 613 A CB -1.164 17.979 19.000 0.239 0.000 0.810 613 A HN 0.282 nan 8.150 nan 0.000 0.446 614 A N -0.431 122.507 122.820 0.197 0.000 1.933 614 A HA 0.130 4.449 4.320 -0.002 0.000 0.218 614 A C 2.362 180.098 177.584 0.253 0.000 1.175 614 A CA 1.824 53.986 52.037 0.208 0.000 0.628 614 A CB -1.253 17.859 19.000 0.186 0.000 0.814 614 A HN 0.696 nan 8.150 nan 0.000 0.444 615 G N -0.426 108.539 108.800 0.275 0.000 2.422 615 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.218 615 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.218 615 G C 1.301 176.216 174.900 0.024 0.000 1.140 615 G CA 1.342 46.553 45.100 0.185 0.000 0.775 615 G HN 0.539 nan 8.290 nan 0.000 0.545 616 D N -0.053 120.330 120.400 -0.029 0.000 2.183 616 D HA -0.078 4.561 4.640 -0.002 0.000 0.203 616 D C 2.230 178.583 176.300 0.089 0.000 0.969 616 D CA 0.733 54.735 54.000 0.003 0.000 0.842 616 D CB -0.202 40.624 40.800 0.043 0.000 0.957 616 D HN 0.416 nan 8.370 nan 0.000 0.484 617 Q N -0.586 119.282 119.800 0.113 0.000 2.444 617 Q HA 0.027 4.365 4.340 -0.002 0.000 0.206 617 Q C -0.186 175.877 176.000 0.105 0.000 0.948 617 Q CA 0.107 55.972 55.803 0.104 0.000 0.946 617 Q CB 0.173 28.990 28.738 0.131 0.000 1.027 617 Q HN 0.118 nan 8.270 nan 0.000 0.513 618 Q N -1.684 118.198 119.800 0.138 0.000 2.493 618 Q HA -0.195 4.144 4.340 -0.002 0.000 0.278 618 Q C -0.615 175.531 176.000 0.243 0.000 1.216 618 Q CA 0.904 56.816 55.803 0.182 0.000 0.875 618 Q CB -2.464 26.390 28.738 0.193 0.000 1.262 618 Q HN 0.486 nan 8.270 nan 0.000 0.468 619 A N 1.155 124.102 122.820 0.212 0.000 2.546 619 A HA 0.327 4.646 4.320 -0.002 0.000 0.243 619 A C 0.425 178.101 177.584 0.153 0.000 1.063 619 A CA 0.404 52.505 52.037 0.108 0.000 0.757 619 A CB 0.303 19.279 19.000 -0.039 0.000 0.991 619 A HN 0.292 nan 8.150 nan 0.000 0.503 620 R N 1.933 122.447 120.500 0.024 0.000 2.371 620 R HA 0.581 4.920 4.340 -0.002 0.000 0.312 620 R C 0.226 176.505 176.300 -0.035 0.000 0.980 620 R CA 0.246 56.314 56.100 -0.053 0.000 0.867 620 R CB 1.878 31.932 30.300 -0.410 0.000 1.163 620 R HN 1.072 nan 8.270 nan 0.000 0.492 621 G N 1.769 110.577 108.800 0.014 0.000 2.428 621 G HA2 0.417 4.376 3.960 -0.002 0.000 0.304 621 G HA3 0.417 4.376 3.960 -0.002 0.000 0.304 621 G C -1.858 173.127 174.900 0.142 0.000 1.303 621 G CA -0.647 44.465 45.100 0.020 0.000 0.825 621 G HN 0.225 nan 8.290 nan 0.000 0.484 622 F N 0.035 120.217 119.950 0.386 0.000 2.507 622 F HA 0.692 5.218 4.527 -0.002 0.000 0.325 622 F C 0.164 176.199 175.800 0.391 0.000 1.116 622 F CA -0.703 57.505 58.000 0.346 0.000 0.930 622 F CB 2.270 41.261 39.000 -0.014 0.000 1.146 622 F HN 0.138 nan 8.300 nan 0.000 0.447 623 L N 5.151 126.619 121.223 0.408 0.000 2.298 623 L HA 0.501 4.840 4.340 -0.002 0.000 0.284 623 L C -0.913 176.063 176.870 0.176 0.000 1.013 623 L CA -0.635 54.300 54.840 0.159 0.000 0.824 623 L CB 1.362 43.450 42.059 0.049 0.000 1.221 623 L HN 0.426 nan 8.230 nan 0.000 0.418 624 I N 3.161 123.651 120.570 -0.134 0.000 2.330 624 I HA 0.236 4.404 4.170 -0.002 0.000 0.286 624 I C 0.884 176.512 176.117 -0.815 0.000 1.025 624 I CA -0.200 60.822 61.300 -0.463 0.000 1.197 624 I CB 1.261 38.794 38.000 -0.778 0.000 1.358 624 I HN 0.606 nan 8.210 nan 0.000 0.467 625 G N 5.646 114.079 108.800 -0.612 0.000 2.741 625 G HA2 0.419 4.378 3.960 -0.002 0.000 0.301 625 G HA3 0.419 4.378 3.960 -0.002 0.000 0.301 625 G C 0.613 175.198 174.900 -0.525 0.000 0.834 625 G CA -0.305 44.414 45.100 -0.634 0.000 1.683 625 G HN 0.742 nan 8.290 nan 0.000 0.506 626 G N 1.399 109.788 108.800 -0.686 0.000 2.651 626 G HA2 0.445 4.403 3.960 -0.002 0.000 0.260 626 G HA3 0.445 4.403 3.960 -0.002 0.000 0.260 626 G C 0.978 175.807 174.900 -0.119 0.000 1.216 626 G CA 0.488 45.353 45.100 -0.393 0.000 0.913 626 G HN 1.618 nan 8.290 nan 0.000 0.535 627 T N -2.504 112.056 114.554 0.010 0.000 3.558 627 T HA -0.201 4.148 4.350 -0.002 0.000 0.391 627 T C 0.562 175.274 174.700 0.020 0.000 0.766 627 T CA 0.816 62.929 62.100 0.022 0.000 1.951 627 T CB -2.618 66.252 68.868 0.004 0.000 1.743 627 T HN 1.758 nan 8.240 nan 0.000 0.688 628 S N -0.329 115.365 115.700 -0.010 0.000 2.707 628 S HA 0.810 5.279 4.470 -0.002 0.000 0.276 628 S C 0.781 175.337 174.600 -0.074 0.000 1.179 628 S CA -0.159 58.032 58.200 -0.015 0.000 0.992 628 S CB 1.611 64.845 63.200 0.056 0.000 1.030 628 S HN 2.434 nan 8.310 nan 0.000 0.554 629 G N 0.552 109.196 108.800 -0.261 0.000 3.190 629 G HA2 -0.102 3.856 3.960 -0.002 0.000 0.686 629 G HA3 -0.102 3.856 3.960 -0.002 0.000 0.686 629 G C -0.046 174.646 174.900 -0.346 0.000 1.033 629 G CA -0.071 44.750 45.100 -0.465 0.000 0.797 629 G HN 0.854 nan 8.290 nan 0.000 0.567 630 R N 0.670 120.895 120.500 -0.457 0.000 2.083 630 R HA -0.077 4.262 4.340 -0.002 0.000 0.237 630 R C 2.958 179.141 176.300 -0.195 0.000 1.137 630 R CA 3.227 59.112 56.100 -0.359 0.000 0.951 630 R CB -0.390 29.531 30.300 -0.631 0.000 0.851 630 R HN 1.103 nan 8.270 nan 0.000 0.434 631 T N -4.011 110.443 114.554 -0.166 0.000 3.107 631 T HA 0.092 4.441 4.350 -0.002 0.000 0.249 631 T C 1.307 176.019 174.700 0.019 0.000 1.096 631 T CA 0.807 62.906 62.100 -0.003 0.000 1.012 631 T CB 0.222 69.106 68.868 0.026 0.000 0.977 631 T HN 0.140 nan 8.240 nan 0.000 0.527 632 T N 1.790 116.338 114.554 -0.010 0.000 2.976 632 T HA 0.239 4.588 4.350 -0.002 0.000 0.257 632 T C 0.816 175.543 174.700 0.046 0.000 1.051 632 T CA 0.024 62.144 62.100 0.034 0.000 1.141 632 T CB -0.192 68.697 68.868 0.036 0.000 0.881 632 T HN 0.221 nan 8.240 nan 0.000 0.461 633 L N 4.677 125.923 121.223 0.039 0.000 2.873 633 L HA 0.270 4.609 4.340 -0.002 0.000 0.236 633 L C 1.580 178.487 176.870 0.061 0.000 1.375 633 L CA -0.436 54.443 54.840 0.065 0.000 1.239 633 L CB -0.968 41.151 42.059 0.100 0.000 1.603 633 L HN 0.179 nan 8.230 nan 0.000 0.430 634 N N -0.717 118.019 118.700 0.059 0.000 2.192 634 N HA -0.192 4.547 4.740 -0.002 0.000 0.188 634 N C 1.411 176.951 175.510 0.051 0.000 1.013 634 N CA 1.481 54.571 53.050 0.066 0.000 0.863 634 N CB -0.312 38.216 38.487 0.069 0.000 0.990 634 N HN 0.466 nan 8.380 nan 0.000 0.430 635 G N 0.418 109.237 108.800 0.030 0.000 2.551 635 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.216 635 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.216 635 G C 1.457 176.345 174.900 -0.019 0.000 1.137 635 G CA -0.035 45.070 45.100 0.009 0.000 0.798 635 G HN 0.202 nan 8.290 nan 0.000 0.536 636 E N 0.611 120.784 120.200 -0.045 0.000 2.150 636 E HA 0.125 4.474 4.350 -0.002 0.000 0.193 636 E C 1.793 178.375 176.600 -0.030 0.000 0.985 636 E CA 0.792 57.099 56.400 -0.154 0.000 0.814 636 E CB -0.246 29.261 29.700 -0.322 0.000 0.752 636 E HN 0.446 nan 8.360 nan 0.000 0.466 637 G N 0.724 109.560 108.800 0.060 0.000 2.568 637 G HA2 -0.316 3.642 3.960 -0.002 0.000 0.222 637 G HA3 -0.316 3.642 3.960 -0.002 0.000 0.222 637 G C 0.610 175.614 174.900 0.175 0.000 1.321 637 G CA -0.059 45.106 45.100 0.109 0.000 0.893 637 G HN 0.288 nan 8.290 nan 0.000 0.569 638 L N -0.063 121.260 121.223 0.166 0.000 2.021 638 L HA -0.137 4.202 4.340 -0.002 0.000 0.215 638 L C 2.710 179.711 176.870 0.218 0.000 1.074 638 L CA 2.871 57.830 54.840 0.198 0.000 0.760 638 L CB -0.225 41.889 42.059 0.092 0.000 0.889 638 L HN 0.714 nan 8.230 nan 0.000 0.433 639 Q N -2.167 117.754 119.800 0.202 0.000 2.320 639 Q HA -0.050 4.288 4.340 -0.002 0.000 0.201 639 Q C 0.889 176.891 176.000 0.004 0.000 0.910 639 Q CA 0.181 56.073 55.803 0.148 0.000 0.946 639 Q CB 0.347 29.163 28.738 0.129 0.000 1.062 639 Q HN 0.645 nan 8.270 nan 0.000 0.503 640 H N -0.498 118.588 119.070 0.027 0.000 2.800 640 H HA 0.156 4.711 4.556 -0.002 0.000 0.257 640 H C -0.202 175.082 175.328 -0.074 0.000 0.967 640 H CA -0.116 55.874 56.048 -0.096 0.000 1.192 640 H CB 0.780 30.524 29.762 -0.030 0.000 1.441 640 H HN 0.073 nan 8.280 nan 0.000 0.461 641 E N 2.235 122.511 120.200 0.128 0.000 2.159 641 E HA 0.026 4.374 4.350 -0.002 0.000 0.272 641 E C -0.696 175.889 176.600 -0.025 0.000 1.138 641 E CA -0.146 56.283 56.400 0.048 0.000 0.915 641 E CB 0.509 30.253 29.700 0.074 0.000 1.028 641 E HN 0.243 nan 8.360 nan 0.000 0.423 642 D N 2.604 122.932 120.400 -0.120 0.000 2.380 642 D HA 0.178 4.817 4.640 -0.002 0.000 0.230 642 D C 0.443 176.544 176.300 -0.330 0.000 1.154 642 D CA -0.541 53.316 54.000 -0.239 0.000 0.859 642 D CB 0.784 41.454 40.800 -0.217 0.000 1.045 642 D HN 0.462 nan 8.370 nan 0.000 0.495 643 G N 2.865 111.525 108.800 -0.232 0.000 3.651 643 G HA2 0.015 3.974 3.960 -0.002 0.000 0.279 643 G HA3 0.015 3.974 3.960 -0.002 0.000 0.279 643 G C 0.551 175.531 174.900 0.132 0.000 1.024 643 G CA -0.351 44.589 45.100 -0.267 0.000 0.813 643 G HN 0.707 nan 8.290 nan 0.000 0.518 644 H N -1.818 117.316 119.070 0.106 0.000 3.726 644 H HA 0.075 4.630 4.556 -0.002 0.000 0.262 644 H C 1.658 177.010 175.328 0.039 0.000 1.181 644 H CA 0.693 56.790 56.048 0.081 0.000 1.143 644 H CB -0.425 29.335 29.762 -0.004 0.000 1.627 644 H HN 0.217 nan 8.280 nan 0.000 0.750 645 S N 0.745 116.343 115.700 -0.170 0.000 2.400 645 S HA -0.216 4.253 4.470 -0.002 0.000 0.232 645 S C 1.597 176.031 174.600 -0.276 0.000 1.025 645 S CA 1.209 59.325 58.200 -0.142 0.000 0.993 645 S CB -0.791 62.416 63.200 0.012 0.000 0.808 645 S HN 0.458 nan 8.310 nan 0.000 0.478 646 H N 1.015 119.928 119.070 -0.262 0.000 2.491 646 H HA 0.133 4.688 4.556 -0.002 0.000 0.290 646 H C 1.886 177.056 175.328 -0.263 0.000 1.050 646 H CA 1.198 56.999 56.048 -0.411 0.000 1.309 646 H CB -0.069 29.015 29.762 -1.130 0.000 1.392 646 H HN 0.392 nan 8.280 nan 0.000 0.554 647 I N 0.675 121.201 120.570 -0.073 0.000 2.406 647 I HA -0.173 3.996 4.170 -0.002 0.000 0.249 647 I C 2.103 178.180 176.117 -0.067 0.000 1.122 647 I CA 0.918 62.216 61.300 -0.003 0.000 1.431 647 I CB -0.794 37.236 38.000 0.050 0.000 1.087 647 I HN 0.250 nan 8.210 nan 0.000 0.424 648 Q N 0.614 120.334 119.800 -0.134 0.000 2.083 648 Q HA -0.123 4.216 4.340 -0.002 0.000 0.198 648 Q C 2.350 178.095 176.000 -0.424 0.000 0.969 648 Q CA 1.933 57.624 55.803 -0.185 0.000 0.838 648 Q CB -0.179 28.499 28.738 -0.099 0.000 0.900 648 Q HN 0.564 nan 8.270 nan 0.000 0.436 649 S N 1.215 116.431 115.700 -0.808 0.000 2.423 649 S HA -0.110 4.359 4.470 -0.002 0.000 0.231 649 S C 1.932 176.305 174.600 -0.379 0.000 1.014 649 S CA 0.936 58.509 58.200 -1.045 0.000 0.965 649 S CB -0.399 62.009 63.200 -1.320 0.000 0.785 649 S HN 0.411 nan 8.310 nan 0.000 0.495 650 L N 1.833 122.942 121.223 -0.191 0.000 2.551 650 L HA 0.222 4.561 4.340 -0.002 0.000 0.228 650 L C 2.072 178.923 176.870 -0.032 0.000 1.153 650 L CA 1.434 56.233 54.840 -0.067 0.000 0.851 650 L CB -1.993 40.074 42.059 0.014 0.000 0.959 650 L HN 0.450 nan 8.230 nan 0.000 0.451 651 T N -2.645 111.895 114.554 -0.022 0.000 3.067 651 T HA 0.209 4.558 4.350 -0.002 0.000 0.261 651 T C 0.878 175.710 174.700 0.220 0.000 1.110 651 T CA 0.178 62.328 62.100 0.084 0.000 1.113 651 T CB -0.621 68.293 68.868 0.077 0.000 0.917 651 T HN 0.324 nan 8.240 nan 0.000 0.499 652 I N 2.823 123.466 120.570 0.122 0.000 2.291 652 I HA 0.245 4.414 4.170 -0.002 0.000 0.292 652 I C -1.588 174.486 176.117 -0.072 0.000 1.064 652 I CA -2.534 58.820 61.300 0.090 0.000 1.269 652 I CB 1.566 39.619 38.000 0.089 0.000 1.418 652 I HN -0.048 nan 8.210 nan 0.000 0.485 653 P HA -0.209 nan 4.420 nan 0.000 0.217 653 P C 0.574 177.781 177.300 -0.156 0.000 1.158 653 P CA 1.505 64.538 63.100 -0.112 0.000 0.887 653 P CB -0.036 31.591 31.700 -0.122 0.000 0.792 654 N N -1.776 116.801 118.700 -0.205 0.000 2.327 654 N HA 0.035 4.773 4.740 -0.002 0.000 0.231 654 N C -0.836 174.431 175.510 -0.405 0.000 1.130 654 N CA -0.368 52.549 53.050 -0.221 0.000 0.845 654 N CB -1.135 37.269 38.487 -0.138 0.000 1.073 654 N HN 0.077 nan 8.380 nan 0.000 0.496 655 C N 1.487 120.512 119.300 -0.458 0.000 2.322 655 C HA 0.592 5.051 4.460 -0.002 0.000 0.324 655 C C -0.621 174.169 174.990 -0.334 0.000 1.284 655 C CA -1.009 57.639 59.018 -0.617 0.000 1.606 655 C CB -0.643 26.771 27.740 -0.544 0.000 2.251 655 C HN 0.335 nan 8.230 nan 0.000 0.502 656 I N 6.065 126.432 120.570 -0.339 0.000 2.312 656 I HA 0.339 4.507 4.170 -0.002 0.000 0.290 656 I C 0.519 176.437 176.117 -0.331 0.000 1.008 656 I CA 0.275 61.319 61.300 -0.427 0.000 1.226 656 I CB 0.976 38.542 38.000 -0.722 0.000 1.371 656 I HN 0.662 nan 8.210 nan 0.000 0.468 657 S N 6.438 121.975 115.700 -0.272 0.000 2.475 657 S HA 0.721 5.190 4.470 -0.002 0.000 0.298 657 S C -0.966 173.475 174.600 -0.265 0.000 1.119 657 S CA -0.406 57.771 58.200 -0.037 0.000 1.085 657 S CB 1.290 64.625 63.200 0.226 0.000 1.028 657 S HN 0.354 nan 8.310 nan 0.000 0.489 658 Y N 0.678 121.034 120.300 0.094 0.000 2.524 658 Y HA 0.421 4.970 4.550 -0.002 0.000 0.347 658 Y C -0.294 175.617 175.900 0.018 0.000 1.005 658 Y CA -0.986 57.132 58.100 0.031 0.000 1.025 658 Y CB 1.803 40.288 38.460 0.043 0.000 1.275 658 Y HN 0.582 nan 8.280 nan 0.000 0.460 659 D N 3.621 124.095 120.400 0.124 0.000 2.613 659 D HA 0.268 4.906 4.640 -0.002 0.000 0.312 659 D C -2.905 173.453 176.300 0.096 0.000 1.202 659 D CA -2.080 51.969 54.000 0.082 0.000 0.825 659 D CB 0.802 41.580 40.800 -0.036 0.000 1.113 659 D HN 0.060 nan 8.370 nan 0.000 0.502 660 P HA 0.160 nan 4.420 nan 0.000 0.271 660 P C 0.146 177.437 177.300 -0.016 0.000 1.218 660 P CA -0.193 62.928 63.100 0.036 0.000 0.780 660 P CB 2.017 33.734 31.700 0.028 0.000 0.901 661 A N 2.257 124.991 122.820 -0.143 0.000 2.014 661 A HA 0.148 4.467 4.320 -0.002 0.000 0.210 661 A C 0.283 177.699 177.584 -0.280 0.000 1.188 661 A CA 0.930 52.792 52.037 -0.291 0.000 0.731 661 A CB -0.404 18.198 19.000 -0.662 0.000 0.858 661 A HN 0.540 nan 8.150 nan 0.000 0.464 662 Y N -2.518 117.747 120.300 -0.058 0.000 2.549 662 Y HA 0.609 5.158 4.550 -0.002 0.000 0.339 662 Y C 1.417 177.171 175.900 -0.244 0.000 1.053 662 Y CA -1.084 56.907 58.100 -0.182 0.000 1.105 662 Y CB 1.283 39.441 38.460 -0.502 0.000 1.258 662 Y HN 0.055 nan 8.280 nan 0.000 0.478 663 A N 1.222 124.063 122.820 0.036 0.000 1.940 663 A HA -0.246 4.073 4.320 -0.002 0.000 0.219 663 A C 1.771 179.367 177.584 0.021 0.000 1.176 663 A CA 2.254 54.303 52.037 0.019 0.000 0.631 663 A CB -1.342 17.685 19.000 0.044 0.000 0.814 663 A HN 0.907 nan 8.150 nan 0.000 0.446 664 Y N -0.327 120.027 120.300 0.090 0.000 2.373 664 Y HA 0.040 4.589 4.550 -0.002 0.000 0.293 664 Y C 1.751 177.667 175.900 0.027 0.000 1.129 664 Y CA 0.977 59.099 58.100 0.036 0.000 1.226 664 Y CB -0.798 37.666 38.460 0.006 0.000 1.000 664 Y HN 0.412 nan 8.280 nan 0.000 0.549 665 E N 0.791 120.883 120.200 -0.180 0.000 2.106 665 E HA -0.117 4.232 4.350 -0.002 0.000 0.192 665 E C 2.275 178.855 176.600 -0.033 0.000 0.984 665 E CA 1.396 57.772 56.400 -0.039 0.000 0.806 665 E CB -0.230 29.429 29.700 -0.069 0.000 0.750 665 E HN 0.395 nan 8.360 nan 0.000 0.458 666 V N 1.676 121.570 119.914 -0.034 0.000 2.287 666 V HA -0.302 3.816 4.120 -0.002 0.000 0.248 666 V C 2.386 178.444 176.094 -0.059 0.000 1.053 666 V CA 1.951 64.241 62.300 -0.016 0.000 1.027 666 V CB -0.757 31.082 31.823 0.026 0.000 0.646 666 V HN 0.326 nan 8.190 nan 0.000 0.447 667 A N -0.260 122.515 122.820 -0.074 0.000 1.877 667 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 667 A C 2.393 179.792 177.584 -0.309 0.000 1.186 667 A CA 2.216 54.110 52.037 -0.237 0.000 0.620 667 A CB -0.768 18.173 19.000 -0.098 0.000 0.822 667 A HN 0.334 nan 8.150 nan 0.000 0.443 668 V N 0.219 120.058 119.914 -0.126 0.000 2.343 668 V HA -0.277 3.841 4.120 -0.002 0.000 0.247 668 V C 2.437 178.493 176.094 -0.063 0.000 1.051 668 V CA 2.068 64.322 62.300 -0.076 0.000 1.036 668 V CB -0.717 31.099 31.823 -0.012 0.000 0.654 668 V HN 0.567 nan 8.190 nan 0.000 0.451 669 I N -0.814 119.688 120.570 -0.112 0.000 2.179 669 I HA -0.315 3.854 4.170 -0.002 0.000 0.242 669 I C 2.530 178.658 176.117 0.019 0.000 1.088 669 I CA 1.924 63.132 61.300 -0.153 0.000 1.357 669 I CB -0.310 37.489 38.000 -0.335 0.000 1.051 669 I HN 0.263 nan 8.210 nan 0.000 0.409 670 M N -0.596 118.996 119.600 -0.013 0.000 2.117 670 M HA -0.244 4.235 4.480 -0.002 0.000 0.262 670 M C 2.506 178.788 176.300 -0.030 0.000 1.065 670 M CA 1.620 56.924 55.300 0.007 0.000 1.114 670 M CB -0.770 31.754 32.600 -0.128 0.000 1.361 670 M HN 0.354 nan 8.290 nan 0.000 0.408 671 H N -0.012 118.896 119.070 -0.271 0.000 2.321 671 H HA -0.201 4.353 4.556 -0.002 0.000 0.300 671 H C 1.492 176.824 175.328 0.008 0.000 1.087 671 H CA 2.304 58.258 56.048 -0.156 0.000 1.319 671 H CB -0.159 29.463 29.762 -0.232 0.000 1.379 671 H HN 0.334 nan 8.280 nan 0.000 0.501 672 D N -0.345 120.044 120.400 -0.018 0.000 2.117 672 D HA -0.084 4.555 4.640 -0.002 0.000 0.197 672 D C 2.446 178.706 176.300 -0.066 0.000 0.987 672 D CA 1.549 55.541 54.000 -0.014 0.000 0.829 672 D CB -0.715 40.152 40.800 0.112 0.000 0.961 672 D HN 0.536 nan 8.370 nan 0.000 0.460 673 G N 0.404 109.114 108.800 -0.151 0.000 2.446 673 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.217 673 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.217 673 G C 1.787 176.581 174.900 -0.178 0.000 1.168 673 G CA 0.607 45.332 45.100 -0.625 0.000 0.771 673 G HN 0.331 nan 8.290 nan 0.000 0.551 674 L N 0.047 121.338 121.223 0.113 0.000 1.989 674 L HA -0.123 4.216 4.340 -0.002 0.000 0.211 674 L C 2.845 179.763 176.870 0.079 0.000 1.071 674 L CA 1.888 56.848 54.840 0.200 0.000 0.749 674 L CB -0.451 41.720 42.059 0.188 0.000 0.890 674 L HN 0.411 nan 8.230 nan 0.000 0.431 675 E N 0.227 120.379 120.200 -0.080 0.000 2.049 675 E HA -0.276 4.072 4.350 -0.002 0.000 0.198 675 E C 2.320 178.906 176.600 -0.022 0.000 1.007 675 E CA 1.503 57.859 56.400 -0.073 0.000 0.809 675 E CB 0.044 29.638 29.700 -0.177 0.000 0.749 675 E HN 0.366 nan 8.360 nan 0.000 0.450 676 R N -0.425 120.051 120.500 -0.040 0.000 2.073 676 R HA -0.108 4.231 4.340 -0.002 0.000 0.234 676 R C 2.553 178.801 176.300 -0.087 0.000 1.134 676 R CA 2.075 58.155 56.100 -0.033 0.000 0.952 676 R CB -0.234 30.077 30.300 0.019 0.000 0.850 676 R HN 0.324 nan 8.270 nan 0.000 0.433 677 M N -1.429 118.083 119.600 -0.146 0.000 2.236 677 M HA -0.065 4.414 4.480 -0.002 0.000 0.266 677 M C 0.796 176.771 176.300 -0.540 0.000 1.070 677 M CA 1.487 56.571 55.300 -0.361 0.000 1.137 677 M CB 0.264 32.603 32.600 -0.435 0.000 1.378 677 M HN 0.118 nan 8.290 nan 0.000 0.426 678 Y N -0.405 119.917 120.300 0.037 0.000 2.557 678 Y HA 0.394 4.943 4.550 -0.001 0.000 0.247 678 Y C 1.285 177.323 175.900 0.231 0.000 1.164 678 Y CA -0.688 57.509 58.100 0.163 0.000 1.218 678 Y CB -0.001 38.489 38.460 0.050 0.000 1.210 678 Y HN 0.041 nan 8.280 nan 0.000 0.529 679 G N -0.071 108.840 108.800 0.185 0.000 2.543 679 G HA2 0.119 4.077 3.960 -0.002 0.000 0.267 679 G HA3 0.119 4.077 3.960 -0.002 0.000 0.267 679 G C 0.634 175.570 174.900 0.061 0.000 1.406 679 G CA -0.359 44.820 45.100 0.130 0.000 1.048 679 G HN 0.261 nan 8.290 nan 0.000 0.548 680 E N -0.616 119.596 120.200 0.020 0.000 2.204 680 E HA -0.138 4.210 4.350 -0.002 0.000 0.195 680 E C 2.158 178.714 176.600 -0.074 0.000 0.990 680 E CA 0.967 57.344 56.400 -0.037 0.000 0.821 680 E CB 0.053 29.742 29.700 -0.018 0.000 0.750 680 E HN 0.496 nan 8.360 nan 0.000 0.477 681 K N 0.990 121.359 120.400 -0.052 0.000 2.097 681 K HA -0.174 4.144 4.320 -0.002 0.000 0.206 681 K C 0.341 176.879 176.600 -0.102 0.000 1.049 681 K CA 0.945 57.194 56.287 -0.064 0.000 0.933 681 K CB 0.128 32.603 32.500 -0.042 0.000 0.717 681 K HN 0.003 nan 8.250 nan 0.000 0.442 682 Q N 1.174 120.897 119.800 -0.129 0.000 2.439 682 Q HA -0.201 4.138 4.340 -0.002 0.000 0.325 682 Q C -1.010 174.885 176.000 -0.175 0.000 1.372 682 Q CA 0.583 56.270 55.803 -0.194 0.000 0.909 682 Q CB -1.418 27.164 28.738 -0.259 0.000 1.167 682 Q HN 0.459 nan 8.270 nan 0.000 0.418 683 E N 0.815 120.928 120.200 -0.144 0.000 2.360 683 E HA 0.056 4.404 4.350 -0.002 0.000 0.269 683 E C -0.028 176.499 176.600 -0.121 0.000 1.022 683 E CA -0.312 56.028 56.400 -0.100 0.000 0.887 683 E CB 0.563 30.231 29.700 -0.053 0.000 0.990 683 E HN 0.186 nan 8.360 nan 0.000 0.426 684 N N 4.113 122.771 118.700 -0.070 0.000 2.868 684 N HA 0.123 4.862 4.740 -0.002 0.000 0.252 684 N C -0.735 174.774 175.510 -0.002 0.000 1.130 684 N CA 0.053 53.081 53.050 -0.036 0.000 1.026 684 N CB 0.536 39.031 38.487 0.014 0.000 1.335 684 N HN 0.266 nan 8.380 nan 0.000 0.516 685 V N -0.830 119.091 119.914 0.012 0.000 3.206 685 V HA 0.743 4.862 4.120 -0.002 0.000 0.305 685 V C -1.362 174.835 176.094 0.170 0.000 1.257 685 V CA -1.134 61.186 62.300 0.034 0.000 1.057 685 V CB 1.904 33.733 31.823 0.010 0.000 1.075 685 V HN 0.327 nan 8.190 nan 0.000 0.443 686 Y N -0.522 119.875 120.300 0.162 0.000 2.605 686 Y HA 0.847 5.396 4.550 -0.002 0.000 0.343 686 Y C -1.341 174.756 175.900 0.328 0.000 1.036 686 Y CA -1.842 56.400 58.100 0.237 0.000 1.065 686 Y CB 1.490 40.176 38.460 0.376 0.000 1.288 686 Y HN 0.711 nan 8.280 nan 0.000 0.481 687 Y N 1.242 121.657 120.300 0.191 0.000 2.420 687 Y HA 0.463 5.012 4.550 -0.002 0.000 0.334 687 Y C -1.145 175.019 175.900 0.440 0.000 1.094 687 Y CA -1.080 57.139 58.100 0.199 0.000 1.126 687 Y CB 1.815 40.278 38.460 0.004 0.000 1.217 687 Y HN 0.700 nan 8.280 nan 0.000 0.462 688 Y N 4.408 124.915 120.300 0.344 0.000 2.326 688 Y HA 0.623 5.172 4.550 -0.002 0.000 0.329 688 Y C -1.566 174.501 175.900 0.279 0.000 0.973 688 Y CA -1.858 56.427 58.100 0.308 0.000 1.162 688 Y CB 0.643 39.282 38.460 0.299 0.000 1.147 688 Y HN 0.435 nan 8.280 nan 0.000 0.456 689 I N 6.035 126.492 120.570 -0.187 0.000 2.478 689 I HA 0.328 4.497 4.170 -0.002 0.000 0.287 689 I C -0.460 175.378 176.117 -0.464 0.000 1.042 689 I CA -0.930 60.256 61.300 -0.191 0.000 1.067 689 I CB 2.343 40.390 38.000 0.079 0.000 1.233 689 I HN 0.631 nan 8.210 nan 0.000 0.431 690 T N 1.396 115.707 114.554 -0.406 0.000 2.845 690 T HA 0.606 4.955 4.350 -0.002 0.000 0.288 690 T C 0.108 174.729 174.700 -0.130 0.000 0.980 690 T CA -0.612 61.308 62.100 -0.299 0.000 1.071 690 T CB 1.286 70.098 68.868 -0.093 0.000 0.941 690 T HN 0.687 nan 8.240 nan 0.000 0.487 691 T N 0.874 115.335 114.554 -0.155 0.000 2.930 691 T HA 0.754 5.103 4.350 -0.002 0.000 0.290 691 T C -0.431 174.246 174.700 -0.039 0.000 1.052 691 T CA -1.118 60.929 62.100 -0.087 0.000 1.017 691 T CB 1.029 69.819 68.868 -0.132 0.000 1.137 691 T HN 0.589 nan 8.240 nan 0.000 0.511 692 L N 1.769 122.991 121.223 -0.003 0.000 2.319 692 L HA 0.565 4.903 4.340 -0.002 0.000 0.267 692 L C 0.871 177.746 176.870 0.008 0.000 1.011 692 L CA -1.200 53.651 54.840 0.018 0.000 0.818 692 L CB 1.424 43.519 42.059 0.059 0.000 1.316 692 L HN 0.876 nan 8.230 nan 0.000 0.432 693 N N -0.276 118.435 118.700 0.018 0.000 2.214 693 N HA 0.005 4.744 4.740 -0.002 0.000 0.214 693 N C -0.193 175.318 175.510 0.003 0.000 1.132 693 N CA -0.189 52.865 53.050 0.008 0.000 0.856 693 N CB 0.493 38.983 38.487 0.005 0.000 1.020 693 N HN 0.732 nan 8.380 nan 0.000 0.509 694 E N 0.886 121.089 120.200 0.005 0.000 2.156 694 E HA 0.211 4.560 4.350 -0.002 0.000 0.279 694 E C -0.979 175.548 176.600 -0.122 0.000 0.965 694 E CA -0.655 55.761 56.400 0.028 0.000 0.789 694 E CB 0.639 30.435 29.700 0.161 0.000 1.098 694 E HN 0.074 nan 8.360 nan 0.000 0.397 695 N N 3.504 122.161 118.700 -0.072 0.000 2.499 695 N HA 0.257 4.996 4.740 -0.002 0.000 0.281 695 N C -1.124 174.375 175.510 -0.019 0.000 1.098 695 N CA 0.049 53.012 53.050 -0.145 0.000 0.979 695 N CB 0.793 39.255 38.487 -0.041 0.000 1.121 695 N HN 0.420 nan 8.380 nan 0.000 0.466 696 Y N -2.324 118.027 120.300 0.084 0.000 2.750 696 Y HA 0.324 4.873 4.550 -0.002 0.000 0.335 696 Y C -0.392 175.591 175.900 0.138 0.000 1.252 696 Y CA -1.407 56.760 58.100 0.111 0.000 1.064 696 Y CB 0.163 38.689 38.460 0.108 0.000 1.321 696 Y HN 0.467 nan 8.280 nan 0.000 0.451 697 H N 2.465 121.745 119.070 0.350 0.000 3.034 697 H HA 0.347 4.902 4.556 -0.002 0.000 0.324 697 H C -0.679 174.830 175.328 0.302 0.000 1.015 697 H CA 0.321 56.508 56.048 0.232 0.000 1.429 697 H CB 0.538 30.389 29.762 0.147 0.000 1.429 697 H HN 0.584 nan 8.280 nan 0.000 0.585 698 M N 8.955 128.316 119.600 -0.398 0.000 2.036 698 M HA 0.233 4.712 4.480 -0.002 0.000 0.337 698 M C -2.471 173.525 176.300 -0.507 0.000 1.012 698 M CA -2.465 52.685 55.300 -0.250 0.000 0.962 698 M CB 1.065 33.625 32.600 -0.066 0.000 1.423 698 M HN 0.567 nan 8.290 nan 0.000 0.405 699 P HA 0.285 nan 4.420 nan 0.000 0.275 699 P C -0.566 176.697 177.300 -0.061 0.000 1.266 699 P CA -0.384 62.577 63.100 -0.233 0.000 0.793 699 P CB 0.805 32.395 31.700 -0.184 0.000 1.074 700 A N 1.115 123.894 122.820 -0.069 0.000 2.322 700 A HA 0.396 4.715 4.320 -0.002 0.000 0.269 700 A C 0.575 177.896 177.584 -0.439 0.000 1.094 700 A CA -0.702 51.252 52.037 -0.140 0.000 0.807 700 A CB -0.190 18.744 19.000 -0.111 0.000 1.047 700 A HN 0.685 nan 8.150 nan 0.000 0.487 701 M N 2.371 121.485 119.600 -0.809 0.000 2.217 701 M HA 0.253 4.732 4.480 -0.002 0.000 0.352 701 M C -2.221 173.708 176.300 -0.618 0.000 1.376 701 M CA -1.386 53.060 55.300 -1.423 0.000 1.107 701 M CB 0.292 32.240 32.600 -1.087 0.000 1.723 701 M HN 0.332 nan 8.290 nan 0.000 0.461 702 P HA 0.043 nan 4.420 nan 0.000 0.271 702 P C -1.254 175.928 177.300 -0.197 0.000 1.216 702 P CA -0.130 62.843 63.100 -0.211 0.000 0.776 702 P CB 0.444 32.097 31.700 -0.079 0.000 0.881 703 E N 1.682 121.806 120.200 -0.127 0.000 2.414 703 E HA 0.213 4.561 4.350 -0.002 0.000 0.263 703 E C 1.069 177.621 176.600 -0.080 0.000 1.000 703 E CA 0.786 57.125 56.400 -0.101 0.000 0.914 703 E CB -0.447 29.213 29.700 -0.067 0.000 0.948 703 E HN 0.738 nan 8.360 nan 0.000 0.444 704 G N 2.824 111.577 108.800 -0.078 0.000 2.184 704 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.264 704 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.264 704 G C 0.806 175.670 174.900 -0.060 0.000 0.975 704 G CA 0.513 45.583 45.100 -0.050 0.000 0.642 704 G HN 0.791 nan 8.290 nan 0.000 0.536 705 A N -0.169 122.571 122.820 -0.133 0.000 2.206 705 A HA 0.405 4.723 4.320 -0.002 0.000 0.211 705 A C 1.847 179.319 177.584 -0.186 0.000 1.158 705 A CA 1.809 53.713 52.037 -0.222 0.000 0.761 705 A CB -0.224 18.484 19.000 -0.487 0.000 0.801 705 A HN 0.567 nan 8.150 nan 0.000 0.473 706 E N 0.776 120.910 120.200 -0.110 0.000 2.035 706 E HA -0.248 4.101 4.350 -0.002 0.000 0.204 706 E C 1.786 178.375 176.600 -0.017 0.000 1.025 706 E CA 2.009 58.373 56.400 -0.059 0.000 0.835 706 E CB -0.347 29.331 29.700 -0.038 0.000 0.764 706 E HN 0.747 nan 8.360 nan 0.000 0.457 707 E N -0.173 120.028 120.200 0.002 0.000 2.070 707 E HA -0.196 4.153 4.350 -0.002 0.000 0.197 707 E C 2.260 178.882 176.600 0.036 0.000 1.004 707 E CA 1.068 57.475 56.400 0.012 0.000 0.805 707 E CB -0.409 29.305 29.700 0.025 0.000 0.744 707 E HN 0.412 nan 8.360 nan 0.000 0.451 708 G N 1.271 110.142 108.800 0.119 0.000 2.418 708 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.217 708 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.217 708 G C 1.610 176.662 174.900 0.252 0.000 1.158 708 G CA 0.633 45.894 45.100 0.269 0.000 0.771 708 G HN 0.121 nan 8.290 nan 0.000 0.545 709 I N 0.222 120.869 120.570 0.128 0.000 2.208 709 I HA -0.193 3.976 4.170 -0.002 0.000 0.245 709 I C 3.050 179.272 176.117 0.176 0.000 1.097 709 I CA 1.146 62.545 61.300 0.165 0.000 1.363 709 I CB -0.178 37.841 38.000 0.031 0.000 1.051 709 I HN 0.096 nan 8.210 nan 0.000 0.413 710 R N 0.520 121.086 120.500 0.110 0.000 2.092 710 R HA -0.092 4.247 4.340 -0.002 0.000 0.231 710 R C 2.238 178.651 176.300 0.188 0.000 1.119 710 R CA 0.849 57.035 56.100 0.145 0.000 0.970 710 R CB -0.153 30.196 30.300 0.082 0.000 0.864 710 R HN 0.189 nan 8.270 nan 0.000 0.440 711 K N -0.918 119.508 120.400 0.043 0.000 2.217 711 K HA 0.030 4.348 4.320 -0.002 0.000 0.202 711 K C 1.374 177.991 176.600 0.029 0.000 1.051 711 K CA 1.342 57.570 56.287 -0.099 0.000 0.952 711 K CB 0.362 32.551 32.500 -0.517 0.000 0.736 711 K HN 0.483 nan 8.250 nan 0.000 0.453 712 G N 0.857 109.748 108.800 0.153 0.000 2.296 712 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.188 712 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.188 712 G C 0.085 175.025 174.900 0.066 0.000 1.000 712 G CA -0.071 45.083 45.100 0.089 0.000 0.672 712 G HN 0.275 nan 8.290 nan 0.000 0.483 713 I N 0.242 120.938 120.570 0.209 0.000 2.785 713 I HA 0.637 4.806 4.170 -0.002 0.000 0.293 713 I C -1.678 174.650 176.117 0.352 0.000 1.446 713 I CA -1.492 59.900 61.300 0.154 0.000 1.028 713 I CB 1.863 39.853 38.000 -0.016 0.000 1.349 713 I HN 0.456 nan 8.210 nan 0.000 0.438 714 Y N 4.128 124.545 120.300 0.194 0.000 2.552 714 Y HA 0.475 5.023 4.550 -0.002 0.000 0.337 714 Y C -1.469 174.563 175.900 0.221 0.000 1.094 714 Y CA -1.305 56.919 58.100 0.206 0.000 1.028 714 Y CB 0.881 39.447 38.460 0.176 0.000 1.321 714 Y HN 0.514 nan 8.280 nan 0.000 0.456 715 K N 3.421 123.941 120.400 0.200 0.000 2.349 715 K HA 0.306 4.625 4.320 -0.002 0.000 0.289 715 K C -0.105 176.474 176.600 -0.035 0.000 1.064 715 K CA -0.223 55.980 56.287 -0.140 0.000 0.947 715 K CB 0.606 32.985 32.500 -0.200 0.000 1.007 715 K HN 1.022 nan 8.250 nan 0.000 0.478 716 L N 3.203 124.336 121.223 -0.150 0.000 2.049 716 L HA -0.072 4.266 4.340 -0.002 0.000 0.203 716 L C 0.560 177.429 176.870 -0.002 0.000 1.074 716 L CA 1.287 56.138 54.840 0.019 0.000 0.749 716 L CB 0.018 42.085 42.059 0.012 0.000 0.907 716 L HN 0.806 nan 8.230 nan 0.000 0.439 717 E N -2.854 117.293 120.200 -0.088 0.000 2.439 717 E HA 0.355 4.704 4.350 -0.002 0.000 0.279 717 E C -1.286 175.248 176.600 -0.110 0.000 1.077 717 E CA -0.886 55.474 56.400 -0.067 0.000 0.849 717 E CB 1.449 31.137 29.700 -0.018 0.000 1.408 717 E HN -0.296 nan 8.360 nan 0.000 0.457 718 T N 0.960 115.474 114.554 -0.067 0.000 2.848 718 T HA 0.551 4.900 4.350 -0.002 0.000 0.285 718 T C -0.619 174.066 174.700 -0.024 0.000 0.995 718 T CA -0.549 61.516 62.100 -0.058 0.000 0.970 718 T CB 0.574 69.413 68.868 -0.048 0.000 0.976 718 T HN 0.356 nan 8.240 nan 0.000 0.441 719 I N 2.535 123.098 120.570 -0.012 0.000 2.406 719 I HA 0.348 4.517 4.170 -0.002 0.000 0.290 719 I C 0.268 176.392 176.117 0.012 0.000 0.999 719 I CA -1.098 60.205 61.300 0.005 0.000 1.124 719 I CB 1.653 39.661 38.000 0.015 0.000 1.289 719 I HN 0.395 nan 8.210 nan 0.000 0.441 720 E N 3.837 124.045 120.200 0.014 0.000 2.404 720 E HA 0.520 4.869 4.350 -0.002 0.000 0.261 720 E C 0.105 176.721 176.600 0.026 0.000 1.074 720 E CA 0.036 56.447 56.400 0.017 0.000 0.917 720 E CB 1.425 31.133 29.700 0.014 0.000 0.965 720 E HN 0.870 nan 8.360 nan 0.000 0.433 721 G N -0.421 108.396 108.800 0.028 0.000 2.716 721 G HA2 0.235 4.194 3.960 -0.002 0.000 0.299 721 G HA3 0.235 4.194 3.960 -0.002 0.000 0.299 721 G C 0.076 174.996 174.900 0.033 0.000 1.450 721 G CA -0.031 45.091 45.100 0.036 0.000 0.968 721 G HN 0.371 nan 8.290 nan 0.000 0.566 722 S N 0.462 116.181 115.700 0.033 0.000 2.511 722 S HA 0.155 4.624 4.470 -0.002 0.000 0.214 722 S C 1.244 175.863 174.600 0.033 0.000 0.997 722 S CA -0.001 58.216 58.200 0.028 0.000 0.908 722 S CB 0.290 63.504 63.200 0.022 0.000 0.803 722 S HN 0.321 nan 8.310 nan 0.000 0.504 723 K N 1.754 122.179 120.400 0.043 0.000 2.404 723 K HA 0.435 4.754 4.320 -0.002 0.000 0.194 723 K C 0.915 177.545 176.600 0.050 0.000 1.023 723 K CA 0.531 56.848 56.287 0.049 0.000 1.094 723 K CB 0.388 32.928 32.500 0.067 0.000 0.841 723 K HN 0.563 nan 8.250 nan 0.000 0.523 724 G N 0.429 109.256 108.800 0.045 0.000 2.337 724 G HA2 0.174 4.132 3.960 -0.002 0.000 0.298 724 G HA3 0.174 4.132 3.960 -0.002 0.000 0.298 724 G C -1.858 173.067 174.900 0.040 0.000 1.335 724 G CA -0.879 44.245 45.100 0.041 0.000 0.875 724 G HN -0.038 nan 8.290 nan 0.000 0.579 725 K N -0.755 119.668 120.400 0.038 0.000 2.550 725 K HA 0.657 4.976 4.320 -0.002 0.000 0.252 725 K C -0.726 175.901 176.600 0.045 0.000 0.943 725 K CA -0.649 55.663 56.287 0.041 0.000 0.806 725 K CB 2.341 34.863 32.500 0.038 0.000 1.289 725 K HN 1.425 nan 8.250 nan 0.000 0.435 726 V N -0.497 119.449 119.914 0.053 0.000 3.141 726 V HA 0.604 4.723 4.120 -0.002 0.000 0.312 726 V C -1.345 174.805 176.094 0.094 0.000 1.157 726 V CA -0.927 61.411 62.300 0.064 0.000 1.041 726 V CB 1.986 33.839 31.823 0.050 0.000 1.071 726 V HN 0.826 nan 8.190 nan 0.000 0.441 727 Q N 1.215 121.090 119.800 0.124 0.000 2.333 727 Q HA 0.738 5.077 4.340 -0.002 0.000 0.267 727 Q C -1.560 174.556 176.000 0.193 0.000 1.012 727 Q CA -0.555 55.373 55.803 0.209 0.000 0.824 727 Q CB 2.465 31.344 28.738 0.235 0.000 1.290 727 Q HN 0.715 nan 8.270 nan 0.000 0.449 728 L N 3.521 124.878 121.223 0.224 0.000 2.356 728 L HA 0.529 4.868 4.340 -0.002 0.000 0.277 728 L C -1.181 175.825 176.870 0.227 0.000 0.996 728 L CA -0.842 54.101 54.840 0.172 0.000 0.822 728 L CB 1.137 43.259 42.059 0.105 0.000 1.256 728 L HN 0.327 nan 8.230 nan 0.000 0.413 729 L N 2.558 123.895 121.223 0.190 0.000 2.346 729 L HA 0.922 5.261 4.340 -0.002 0.000 0.276 729 L C 0.328 177.294 176.870 0.160 0.000 1.006 729 L CA -0.053 54.898 54.840 0.185 0.000 0.817 729 L CB 1.999 44.193 42.059 0.224 0.000 1.272 729 L HN 0.639 nan 8.230 nan 0.000 0.421 730 G N 0.370 109.231 108.800 0.102 0.000 2.690 730 G HA2 0.728 4.687 3.960 -0.002 0.000 0.293 730 G HA3 0.728 4.687 3.960 -0.002 0.000 0.293 730 G C -1.545 173.380 174.900 0.042 0.000 1.399 730 G CA -0.242 44.919 45.100 0.102 0.000 0.890 730 G HN 0.668 nan 8.290 nan 0.000 0.485 731 S N -0.732 115.031 115.700 0.104 0.000 2.651 731 S HA 0.891 5.360 4.470 -0.002 0.000 0.279 731 S C 0.744 175.406 174.600 0.104 0.000 1.148 731 S CA 0.606 58.846 58.200 0.068 0.000 0.837 731 S CB 1.386 64.668 63.200 0.137 0.000 1.138 731 S HN 2.720 nan 8.310 nan 0.000 0.478 732 G N 2.001 110.844 108.800 0.072 0.000 2.582 732 G HA2 -0.327 3.631 3.960 -0.002 0.000 0.288 732 G HA3 -0.327 3.631 3.960 -0.002 0.000 0.288 732 G C 1.039 175.975 174.900 0.061 0.000 1.247 732 G CA 1.384 46.548 45.100 0.107 0.000 0.972 732 G HN 2.221 nan 8.290 nan 0.000 0.557 733 S N -0.465 115.309 115.700 0.123 0.000 2.481 733 S HA 0.086 4.555 4.470 -0.002 0.000 0.231 733 S C 2.164 176.825 174.600 0.102 0.000 0.996 733 S CA 1.530 59.808 58.200 0.131 0.000 0.942 733 S CB 0.031 63.352 63.200 0.202 0.000 0.768 733 S HN 0.584 nan 8.310 nan 0.000 0.520 734 I N 1.204 121.840 120.570 0.109 0.000 2.761 734 I HA 0.094 4.263 4.170 -0.002 0.000 0.261 734 I C 2.146 178.331 176.117 0.112 0.000 1.198 734 I CA 0.310 61.704 61.300 0.155 0.000 1.482 734 I CB -1.297 36.760 38.000 0.096 0.000 1.100 734 I HN 0.338 nan 8.210 nan 0.000 0.445 735 L N 1.665 122.886 121.223 -0.002 0.000 2.043 735 L HA -0.219 4.120 4.340 -0.002 0.000 0.212 735 L C 2.724 179.548 176.870 -0.077 0.000 1.075 735 L CA 1.913 56.719 54.840 -0.057 0.000 0.752 735 L CB -0.774 41.176 42.059 -0.181 0.000 0.891 735 L HN 0.138 nan 8.230 nan 0.000 0.432 736 R N -1.563 118.818 120.500 -0.199 0.000 2.117 736 R HA -0.216 4.123 4.340 -0.002 0.000 0.243 736 R C 2.311 178.453 176.300 -0.264 0.000 1.143 736 R CA 1.925 57.854 56.100 -0.284 0.000 0.968 736 R CB -0.358 29.609 30.300 -0.555 0.000 0.863 736 R HN 0.623 nan 8.270 nan 0.000 0.444 737 H N -1.037 118.002 119.070 -0.052 0.000 2.436 737 H HA -0.022 4.533 4.556 -0.002 0.000 0.294 737 H C 2.161 177.488 175.328 -0.001 0.000 1.048 737 H CA 1.357 57.397 56.048 -0.013 0.000 1.353 737 H CB 0.200 29.963 29.762 0.000 0.000 1.414 737 H HN 0.105 nan 8.280 nan 0.000 0.536 738 V N 1.347 121.320 119.914 0.099 0.000 2.427 738 V HA -0.205 3.914 4.120 -0.002 0.000 0.248 738 V C 2.415 178.537 176.094 0.047 0.000 1.051 738 V CA 1.462 63.803 62.300 0.069 0.000 1.048 738 V CB -0.323 31.540 31.823 0.066 0.000 0.666 738 V HN 0.348 nan 8.190 nan 0.000 0.456 739 R N -0.051 120.466 120.500 0.029 0.000 2.115 739 R HA -0.152 4.187 4.340 -0.002 0.000 0.226 739 R C 2.315 178.630 176.300 0.026 0.000 1.100 739 R CA 1.386 57.503 56.100 0.030 0.000 0.980 739 R CB -0.231 30.092 30.300 0.037 0.000 0.875 739 R HN 0.661 nan 8.270 nan 0.000 0.445 740 E N 1.186 121.394 120.200 0.013 0.000 2.072 740 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 740 E C 1.914 178.542 176.600 0.047 0.000 0.985 740 E CA 1.105 57.519 56.400 0.022 0.000 0.801 740 E CB -0.012 29.694 29.700 0.009 0.000 0.750 740 E HN 0.328 nan 8.360 nan 0.000 0.452 741 A N 1.169 124.016 122.820 0.045 0.000 1.972 741 A HA -0.052 4.267 4.320 -0.002 0.000 0.219 741 A C 2.384 180.002 177.584 0.057 0.000 1.169 741 A CA 1.604 53.665 52.037 0.040 0.000 0.635 741 A CB -0.685 18.326 19.000 0.017 0.000 0.810 741 A HN 0.426 nan 8.150 nan 0.000 0.446 742 A N -0.356 122.495 122.820 0.051 0.000 1.933 742 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 742 A C 1.965 179.588 177.584 0.064 0.000 1.175 742 A CA 1.657 53.726 52.037 0.053 0.000 0.628 742 A CB -0.378 18.646 19.000 0.040 0.000 0.814 742 A HN 0.458 nan 8.150 nan 0.000 0.444 743 E N 0.088 120.325 120.200 0.062 0.000 2.031 743 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 743 E C 2.035 178.691 176.600 0.094 0.000 0.994 743 E CA 1.211 57.650 56.400 0.065 0.000 0.800 743 E CB -0.458 29.274 29.700 0.054 0.000 0.752 743 E HN 0.723 nan 8.360 nan 0.000 0.447 744 I N 0.980 121.623 120.570 0.122 0.000 2.163 744 I HA -0.287 3.882 4.170 -0.002 0.000 0.243 744 I C 2.560 178.829 176.117 0.254 0.000 1.085 744 I CA 0.893 62.307 61.300 0.191 0.000 1.347 744 I CB -0.324 37.825 38.000 0.248 0.000 1.044 744 I HN 0.054 nan 8.210 nan 0.000 0.408 745 L N 0.416 121.766 121.223 0.212 0.000 2.079 745 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 745 L C 2.749 179.743 176.870 0.207 0.000 1.081 745 L CA 1.436 56.410 54.840 0.222 0.000 0.752 745 L CB -0.603 41.520 42.059 0.106 0.000 0.896 745 L HN 0.285 nan 8.230 nan 0.000 0.433 746 A N -0.180 122.721 122.820 0.135 0.000 1.843 746 A HA -0.190 4.128 4.320 -0.002 0.000 0.213 746 A C 2.372 180.006 177.584 0.083 0.000 1.202 746 A CA 1.526 53.621 52.037 0.096 0.000 0.607 746 A CB -0.401 18.638 19.000 0.065 0.000 0.847 746 A HN 0.279 nan 8.150 nan 0.000 0.445 747 K N -0.410 120.034 120.400 0.074 0.000 2.002 747 K HA -0.222 4.097 4.320 -0.002 0.000 0.209 747 K C 1.209 177.808 176.600 -0.003 0.000 1.048 747 K CA 2.067 58.377 56.287 0.037 0.000 0.930 747 K CB -0.264 32.259 32.500 0.039 0.000 0.714 747 K HN 0.355 nan 8.250 nan 0.000 0.438 748 D N -1.182 119.218 120.400 -0.001 0.000 2.213 748 D HA -0.057 4.582 4.640 -0.002 0.000 0.205 748 D C 0.656 176.667 176.300 -0.481 0.000 0.961 748 D CA 1.067 54.924 54.000 -0.237 0.000 0.853 748 D CB 0.189 40.830 40.800 -0.265 0.000 0.967 748 D HN 0.350 nan 8.370 nan 0.000 0.496 749 Y N -1.227 119.095 120.300 0.037 0.000 2.527 749 Y HA 0.363 4.912 4.550 -0.002 0.000 0.247 749 Y C 1.611 177.527 175.900 0.027 0.000 1.138 749 Y CA -0.152 57.966 58.100 0.031 0.000 1.228 749 Y CB 0.827 39.313 38.460 0.044 0.000 1.252 749 Y HN -0.041 nan 8.280 nan 0.000 0.531 750 G N 0.919 109.795 108.800 0.128 0.000 2.168 750 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.257 750 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.257 750 G C -0.181 174.776 174.900 0.095 0.000 0.997 750 G CA 0.439 45.590 45.100 0.086 0.000 0.708 750 G HN 0.154 nan 8.290 nan 0.000 0.520 751 V N 0.935 120.924 119.914 0.125 0.000 2.385 751 V HA 0.658 4.777 4.120 -0.002 0.000 0.269 751 V C 1.271 177.408 176.094 0.073 0.000 1.043 751 V CA 0.101 62.456 62.300 0.092 0.000 0.906 751 V CB 1.139 33.016 31.823 0.090 0.000 0.995 751 V HN 0.603 nan 8.190 nan 0.000 0.467 752 G N 3.787 112.620 108.800 0.054 0.000 2.547 752 G HA2 0.704 4.663 3.960 -0.002 0.000 0.291 752 G HA3 0.704 4.663 3.960 -0.002 0.000 0.291 752 G C -0.241 174.684 174.900 0.041 0.000 1.211 752 G CA 0.242 45.368 45.100 0.043 0.000 0.950 752 G HN 1.069 nan 8.290 nan 0.000 0.504 753 S N -1.070 114.649 115.700 0.031 0.000 2.595 753 S HA 0.427 4.896 4.470 -0.002 0.000 0.270 753 S C -2.142 172.459 174.600 0.002 0.000 1.145 753 S CA -0.999 57.221 58.200 0.033 0.000 0.825 753 S CB 2.100 65.326 63.200 0.044 0.000 1.107 753 S HN 0.427 nan 8.310 nan 0.000 0.461 754 D N 0.980 121.382 120.400 0.003 0.000 2.217 754 D HA 0.583 5.222 4.640 -0.002 0.000 0.243 754 D C -0.765 175.435 176.300 -0.165 0.000 1.054 754 D CA -0.199 53.723 54.000 -0.129 0.000 0.838 754 D CB 1.983 42.718 40.800 -0.109 0.000 1.162 754 D HN 0.451 nan 8.370 nan 0.000 0.472 755 V N 3.387 123.128 119.914 -0.289 0.000 2.417 755 V HA 0.343 4.462 4.120 -0.002 0.000 0.291 755 V C -0.837 175.060 176.094 -0.329 0.000 1.024 755 V CA -0.693 61.508 62.300 -0.164 0.000 0.861 755 V CB 0.632 32.417 31.823 -0.063 0.000 0.985 755 V HN 0.362 nan 8.190 nan 0.000 0.436 756 Y N 1.682 121.941 120.300 -0.069 0.000 2.429 756 Y HA 0.596 5.145 4.550 -0.002 0.000 0.342 756 Y C 0.497 176.259 175.900 -0.231 0.000 1.004 756 Y CA -0.794 57.207 58.100 -0.165 0.000 1.075 756 Y CB 2.141 40.520 38.460 -0.134 0.000 1.214 756 Y HN 0.528 nan 8.280 nan 0.000 0.455 757 S N 1.869 117.395 115.700 -0.291 0.000 2.429 757 S HA 0.599 5.068 4.470 -0.002 0.000 0.302 757 S C -1.171 173.252 174.600 -0.295 0.000 1.115 757 S CA -0.589 57.419 58.200 -0.320 0.000 1.095 757 S CB 0.108 63.039 63.200 -0.448 0.000 0.987 757 S HN 0.441 nan 8.310 nan 0.000 0.474 758 V N 6.091 125.845 119.914 -0.267 0.000 2.318 758 V HA 0.249 4.368 4.120 -0.002 0.000 0.271 758 V C 1.471 177.408 176.094 -0.263 0.000 1.030 758 V CA -0.286 61.769 62.300 -0.409 0.000 0.844 758 V CB 0.541 31.753 31.823 -1.018 0.000 1.015 758 V HN 1.057 nan 8.190 nan 0.000 0.460 759 T N -0.235 114.284 114.554 -0.058 0.000 3.067 759 T HA 0.050 4.399 4.350 -0.002 0.000 0.261 759 T C 0.780 175.527 174.700 0.079 0.000 1.110 759 T CA 0.661 62.823 62.100 0.103 0.000 1.113 759 T CB 0.229 69.267 68.868 0.283 0.000 0.917 759 T HN 0.593 nan 8.240 nan 0.000 0.499 760 S N -0.476 115.139 115.700 -0.141 0.000 2.382 760 S HA 0.407 4.876 4.470 -0.002 0.000 0.228 760 S C -0.298 174.108 174.600 -0.323 0.000 0.996 760 S CA -0.792 57.257 58.200 -0.253 0.000 1.094 760 S CB -0.446 62.475 63.200 -0.465 0.000 1.209 760 S HN 0.139 nan 8.310 nan 0.000 0.420 761 F N 2.272 121.965 119.950 -0.428 0.000 2.216 761 F HA -0.027 4.499 4.527 -0.002 0.000 0.300 761 F C 2.612 178.215 175.800 -0.328 0.000 1.085 761 F CA 1.712 59.416 58.000 -0.493 0.000 1.326 761 F CB -0.373 38.034 39.000 -0.989 0.000 1.027 761 F HN 0.505 nan 8.300 nan 0.000 0.497 762 T N -0.903 113.601 114.554 -0.084 0.000 2.737 762 T HA -0.140 4.208 4.350 -0.002 0.000 0.265 762 T C 1.873 176.502 174.700 -0.118 0.000 1.038 762 T CA 1.292 63.363 62.100 -0.049 0.000 1.144 762 T CB -0.165 68.711 68.868 0.014 0.000 0.866 762 T HN 0.101 nan 8.240 nan 0.000 0.434 763 E N 1.133 121.211 120.200 -0.203 0.000 2.110 763 E HA -0.019 4.329 4.350 -0.002 0.000 0.193 763 E C 2.296 178.805 176.600 -0.153 0.000 0.988 763 E CA 0.661 56.936 56.400 -0.209 0.000 0.804 763 E CB -0.413 29.116 29.700 -0.283 0.000 0.745 763 E HN 0.473 nan 8.360 nan 0.000 0.458 764 L N 0.210 121.356 121.223 -0.128 0.000 2.046 764 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 764 L C 2.536 179.320 176.870 -0.143 0.000 1.077 764 L CA 1.193 55.974 54.840 -0.097 0.000 0.747 764 L CB -0.543 41.477 42.059 -0.064 0.000 0.896 764 L HN 0.061 nan 8.230 nan 0.000 0.432 765 A N 0.082 122.852 122.820 -0.083 0.000 1.898 765 A HA -0.188 4.131 4.320 -0.002 0.000 0.216 765 A C 2.378 179.858 177.584 -0.173 0.000 1.181 765 A CA 1.363 53.363 52.037 -0.063 0.000 0.620 765 A CB -0.433 18.602 19.000 0.059 0.000 0.819 765 A HN 0.311 nan 8.150 nan 0.000 0.442 766 R N -0.654 119.765 120.500 -0.134 0.000 2.075 766 R HA -0.142 4.196 4.340 -0.002 0.000 0.232 766 R C 2.008 178.201 176.300 -0.179 0.000 1.126 766 R CA 1.576 57.599 56.100 -0.128 0.000 0.963 766 R CB -0.420 29.814 30.300 -0.109 0.000 0.858 766 R HN 0.726 nan 8.270 nan 0.000 0.435 767 D N -0.367 119.911 120.400 -0.204 0.000 2.097 767 D HA -0.117 4.522 4.640 -0.002 0.000 0.195 767 D C 1.967 178.081 176.300 -0.310 0.000 0.989 767 D CA 1.586 55.464 54.000 -0.203 0.000 0.827 767 D CB -0.242 40.465 40.800 -0.156 0.000 0.966 767 D HN 0.229 nan 8.370 nan 0.000 0.456 768 G N -0.448 107.998 108.800 -0.590 0.000 2.418 768 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.217 768 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.217 768 G C 1.602 176.041 174.900 -0.768 0.000 1.158 768 G CA 0.812 45.213 45.100 -1.165 0.000 0.771 768 G HN 0.359 nan 8.290 nan 0.000 0.545 769 Q N 0.112 119.638 119.800 -0.457 0.000 2.079 769 Q HA -0.088 4.251 4.340 -0.002 0.000 0.200 769 Q C 2.176 178.167 176.000 -0.015 0.000 0.974 769 Q CA 1.282 57.056 55.803 -0.049 0.000 0.840 769 Q CB -0.087 28.657 28.738 0.010 0.000 0.898 769 Q HN 0.342 nan 8.270 nan 0.000 0.430 770 D N 0.111 120.473 120.400 -0.064 0.000 2.144 770 D HA -0.131 4.508 4.640 -0.002 0.000 0.199 770 D C 1.915 178.244 176.300 0.048 0.000 0.984 770 D CA 0.863 54.859 54.000 -0.006 0.000 0.834 770 D CB -0.304 40.468 40.800 -0.047 0.000 0.955 770 D HN 0.266 nan 8.370 nan 0.000 0.465 771 C N 1.070 120.367 119.300 -0.005 0.000 2.453 771 C HA -0.050 4.409 4.460 -0.002 0.000 0.277 771 C C 2.517 177.607 174.990 0.167 0.000 1.262 771 C CA 0.358 59.410 59.018 0.056 0.000 1.718 771 C CB -0.505 27.227 27.740 -0.013 0.000 2.031 771 C HN 0.313 nan 8.230 nan 0.000 0.480 772 E N 0.636 120.924 120.200 0.146 0.000 2.153 772 E HA -0.172 4.176 4.350 -0.002 0.000 0.194 772 E C 2.161 178.857 176.600 0.159 0.000 0.988 772 E CA 0.799 57.305 56.400 0.177 0.000 0.811 772 E CB -0.528 29.305 29.700 0.222 0.000 0.746 772 E HN 0.650 nan 8.360 nan 0.000 0.466 773 R N -0.448 120.144 120.500 0.152 0.000 2.062 773 R HA -0.163 4.176 4.340 -0.002 0.000 0.231 773 R C 2.206 178.612 176.300 0.177 0.000 1.136 773 R CA 1.584 57.763 56.100 0.132 0.000 0.948 773 R CB -0.563 29.805 30.300 0.114 0.000 0.845 773 R HN 0.211 nan 8.270 nan 0.000 0.430 774 W N 2.193 123.528 121.300 0.057 0.000 2.338 774 W HA -0.191 4.468 4.660 -0.002 0.000 0.304 774 W C 1.652 178.260 176.519 0.148 0.000 1.212 774 W CA 1.933 59.335 57.345 0.094 0.000 1.264 774 W CB -0.255 29.195 29.460 -0.017 0.000 1.142 774 W HN 0.211 nan 8.180 nan 0.000 0.512 775 N N 0.012 118.919 118.700 0.345 0.000 2.120 775 N HA -0.254 4.485 4.740 -0.002 0.000 0.188 775 N C 1.793 177.321 175.510 0.030 0.000 1.024 775 N CA 2.077 55.245 53.050 0.198 0.000 0.852 775 N CB -1.178 37.438 38.487 0.216 0.000 1.003 775 N HN 0.335 nan 8.380 nan 0.000 0.424 776 M N 0.212 119.835 119.600 0.038 0.000 2.159 776 M HA -0.060 4.419 4.480 -0.002 0.000 0.263 776 M C 1.195 177.443 176.300 -0.086 0.000 1.063 776 M CA 1.358 56.651 55.300 -0.012 0.000 1.110 776 M CB 0.065 32.670 32.600 0.009 0.000 1.374 776 M HN 0.043 nan 8.290 nan 0.000 0.411 777 L N -1.110 120.036 121.223 -0.128 0.000 2.558 777 L HA -0.023 4.316 4.340 -0.002 0.000 0.225 777 L C 0.133 176.656 176.870 -0.579 0.000 1.128 777 L CA 0.258 54.929 54.840 -0.281 0.000 0.868 777 L CB -0.272 41.638 42.059 -0.249 0.000 1.006 777 L HN 0.335 nan 8.230 nan 0.000 0.454 778 H N -0.993 117.785 119.070 -0.487 0.000 2.439 778 H HA 0.157 4.712 4.556 -0.002 0.000 0.230 778 H C -1.632 173.507 175.328 -0.316 0.000 1.420 778 H CA -1.474 54.249 56.048 -0.542 0.000 1.305 778 H CB 0.286 29.357 29.762 -1.151 0.000 1.667 778 H HN -0.077 nan 8.280 nan 0.000 0.515 779 P HA -0.162 nan 4.420 nan 0.000 0.221 779 P C 0.892 178.173 177.300 -0.032 0.000 1.145 779 P CA 1.082 64.143 63.100 -0.065 0.000 0.795 779 P CB 0.612 32.270 31.700 -0.070 0.000 0.775 780 L N -1.684 119.517 121.223 -0.037 0.000 2.529 780 L HA 0.147 4.486 4.340 -0.002 0.000 0.223 780 L C 1.338 178.226 176.870 0.031 0.000 1.113 780 L CA 0.235 55.073 54.840 -0.004 0.000 0.861 780 L CB -0.348 41.705 42.059 -0.011 0.000 1.012 780 L HN -0.082 nan 8.230 nan 0.000 0.461 781 E N 0.409 120.636 120.200 0.046 0.000 2.280 781 E HA 0.231 4.580 4.350 -0.002 0.000 0.261 781 E C -0.178 176.516 176.600 0.156 0.000 1.088 781 E CA -0.281 56.194 56.400 0.125 0.000 0.915 781 E CB 0.944 30.765 29.700 0.201 0.000 1.141 781 E HN -0.136 nan 8.360 nan 0.000 0.433 782 T N 3.431 118.094 114.554 0.181 0.000 2.853 782 T HA 0.183 4.532 4.350 -0.002 0.000 0.298 782 T C -2.177 172.649 174.700 0.211 0.000 0.978 782 T CA -0.885 61.302 62.100 0.146 0.000 1.152 782 T CB 0.168 69.097 68.868 0.101 0.000 0.914 782 T HN 0.100 nan 8.240 nan 0.000 0.539 783 P HA 0.145 nan 4.420 nan 0.000 0.264 783 P C 0.099 177.481 177.300 0.137 0.000 1.193 783 P CA -0.105 63.107 63.100 0.187 0.000 0.763 783 P CB 0.498 32.269 31.700 0.118 0.000 0.810 784 R N 1.473 122.059 120.500 0.143 0.000 2.490 784 R HA 0.392 4.731 4.340 -0.002 0.000 0.278 784 R C -0.565 175.746 176.300 0.017 0.000 1.069 784 R CA -0.719 55.374 56.100 -0.011 0.000 1.080 784 R CB 0.641 30.846 30.300 -0.159 0.000 1.030 784 R HN 0.241 nan 8.270 nan 0.000 0.491 785 V N 4.570 124.476 119.914 -0.013 0.000 2.398 785 V HA 0.237 4.356 4.120 -0.002 0.000 0.286 785 V C -2.087 174.001 176.094 -0.010 0.000 1.026 785 V CA -2.307 59.993 62.300 0.001 0.000 0.868 785 V CB 1.488 33.306 31.823 -0.007 0.000 0.982 785 V HN 0.664 nan 8.190 nan 0.000 0.443 786 P HA -0.016 nan 4.420 nan 0.000 0.264 786 P C 0.319 177.617 177.300 -0.003 0.000 1.183 786 P CA 0.175 63.251 63.100 -0.040 0.000 0.763 786 P CB 0.346 32.011 31.700 -0.059 0.000 0.807 787 Y N 4.215 124.453 120.300 -0.103 0.000 2.139 787 Y HA -0.242 4.307 4.550 -0.002 0.000 0.282 787 Y C 1.968 177.829 175.900 -0.065 0.000 1.179 787 Y CA 1.562 59.618 58.100 -0.074 0.000 1.161 787 Y CB -0.588 37.829 38.460 -0.072 0.000 0.970 787 Y HN 0.350 nan 8.280 nan 0.000 0.511 788 I N -0.293 120.237 120.570 -0.067 0.000 2.335 788 I HA -0.286 3.883 4.170 -0.002 0.000 0.251 788 I C 2.208 178.206 176.117 -0.198 0.000 1.129 788 I CA 1.559 62.764 61.300 -0.157 0.000 1.402 788 I CB -0.334 37.613 38.000 -0.089 0.000 1.069 788 I HN 0.325 nan 8.210 nan 0.000 0.424 789 A N -0.254 122.488 122.820 -0.131 0.000 2.067 789 A HA -0.160 4.158 4.320 -0.002 0.000 0.217 789 A C 2.132 179.638 177.584 -0.131 0.000 1.156 789 A CA 1.009 52.981 52.037 -0.108 0.000 0.683 789 A CB -0.350 18.625 19.000 -0.043 0.000 0.808 789 A HN 0.598 nan 8.150 nan 0.000 0.455 790 Q N -0.718 118.969 119.800 -0.190 0.000 2.245 790 Q HA -0.015 4.324 4.340 -0.002 0.000 0.201 790 Q C 1.894 177.763 176.000 -0.219 0.000 0.955 790 Q CA 1.236 56.923 55.803 -0.192 0.000 0.870 790 Q CB -0.050 28.557 28.738 -0.219 0.000 0.945 790 Q HN 0.492 nan 8.270 nan 0.000 0.461 791 V N 0.441 120.168 119.914 -0.312 0.000 2.446 791 V HA -0.064 4.054 4.120 -0.002 0.000 0.244 791 V C 1.263 177.328 176.094 -0.048 0.000 1.039 791 V CA 1.027 63.212 62.300 -0.193 0.000 1.045 791 V CB -0.071 31.601 31.823 -0.251 0.000 0.681 791 V HN 0.292 nan 8.190 nan 0.000 0.459 792 M N 0.772 120.270 119.600 -0.170 0.000 2.267 792 M HA 0.308 4.787 4.480 -0.002 0.000 0.303 792 M C 0.231 176.505 176.300 -0.042 0.000 1.164 792 M CA -0.073 55.133 55.300 -0.157 0.000 1.060 792 M CB 0.860 33.265 32.600 -0.326 0.000 1.455 792 M HN 0.454 nan 8.290 nan 0.000 0.483 793 N N -0.773 117.933 118.700 0.010 0.000 2.989 793 N HA 0.297 5.036 4.740 -0.002 0.000 0.338 793 N C -0.586 174.924 175.510 0.001 0.000 1.369 793 N CA -0.745 52.315 53.050 0.016 0.000 0.794 793 N CB 0.314 38.832 38.487 0.051 0.000 1.359 793 N HN 0.611 nan 8.380 nan 0.000 0.609 794 D N -1.644 118.761 120.400 0.009 0.000 2.340 794 D HA 0.166 4.805 4.640 -0.002 0.000 0.217 794 D C -0.053 176.259 176.300 0.020 0.000 1.081 794 D CA -0.409 53.594 54.000 0.005 0.000 0.842 794 D CB -0.454 40.347 40.800 0.002 0.000 0.934 794 D HN 0.632 nan 8.370 nan 0.000 0.511 795 A N 2.191 125.033 122.820 0.036 0.000 2.407 795 A HA 0.381 4.700 4.320 -0.002 0.000 0.248 795 A C -2.104 175.512 177.584 0.053 0.000 1.082 795 A CA -1.081 50.983 52.037 0.045 0.000 0.785 795 A CB -0.160 18.874 19.000 0.057 0.000 1.020 795 A HN 0.073 nan 8.150 nan 0.000 0.489 796 P HA 0.174 nan 4.420 nan 0.000 0.263 796 P C -0.464 176.883 177.300 0.079 0.000 1.175 796 P CA 0.686 63.819 63.100 0.056 0.000 0.761 796 P CB 0.491 32.214 31.700 0.038 0.000 0.794 797 A N 3.317 126.203 122.820 0.111 0.000 2.401 797 A HA 0.674 4.993 4.320 -0.002 0.000 0.310 797 A C -0.898 176.741 177.584 0.092 0.000 1.075 797 A CA -0.659 51.467 52.037 0.148 0.000 0.746 797 A CB 1.632 20.778 19.000 0.243 0.000 1.277 797 A HN 0.322 nan 8.150 nan 0.000 0.425 798 V N 0.635 120.582 119.914 0.056 0.000 2.656 798 V HA 0.795 4.914 4.120 -0.002 0.000 0.307 798 V C 0.131 176.213 176.094 -0.021 0.000 1.051 798 V CA -0.216 62.058 62.300 -0.043 0.000 0.893 798 V CB 1.661 33.470 31.823 -0.023 0.000 0.999 798 V HN 1.422 nan 8.190 nan 0.000 0.426 799 A N 2.811 125.551 122.820 -0.132 0.000 2.386 799 A HA 0.926 5.245 4.320 -0.002 0.000 0.311 799 A C -0.544 177.012 177.584 -0.046 0.000 1.068 799 A CA -0.569 51.453 52.037 -0.025 0.000 0.743 799 A CB 2.047 21.026 19.000 -0.035 0.000 1.258 799 A HN 0.821 nan 8.150 nan 0.000 0.429 800 S N 0.298 116.026 115.700 0.048 0.000 2.548 800 S HA 0.850 5.319 4.470 -0.002 0.000 0.276 800 S C -0.418 174.249 174.600 0.112 0.000 1.129 800 S CA 0.294 58.514 58.200 0.034 0.000 0.931 800 S CB 1.448 64.663 63.200 0.025 0.000 1.068 800 S HN 1.879 nan 8.310 nan 0.000 0.480 801 T N 0.431 115.052 114.554 0.112 0.000 2.787 801 T HA 0.481 4.829 4.350 -0.002 0.000 0.297 801 T C -0.405 174.357 174.700 0.104 0.000 1.221 801 T CA -0.499 61.730 62.100 0.215 0.000 1.006 801 T CB 1.419 70.558 68.868 0.453 0.000 1.328 801 T HN 0.320 nan 8.240 nan 0.000 0.509 802 D N -0.703 119.746 120.400 0.081 0.000 2.328 802 D HA 0.250 4.889 4.640 -0.002 0.000 0.226 802 D C -0.641 175.356 176.300 -0.504 0.000 1.066 802 D CA 0.116 53.985 54.000 -0.218 0.000 0.861 802 D CB -0.250 40.391 40.800 -0.265 0.000 0.912 802 D HN 0.444 nan 8.370 nan 0.000 0.521 803 Y N -0.145 120.125 120.300 -0.050 0.000 2.631 803 Y HA 0.353 4.902 4.550 -0.002 0.000 0.328 803 Y C 0.965 176.828 175.900 -0.063 0.000 1.118 803 Y CA -1.462 56.586 58.100 -0.086 0.000 1.206 803 Y CB 0.556 38.920 38.460 -0.159 0.000 1.337 803 Y HN -0.205 nan 8.280 nan 0.000 0.515 804 M N -0.052 119.611 119.600 0.105 0.000 2.250 804 M HA 0.231 4.710 4.480 -0.002 0.000 0.325 804 M C 0.474 176.805 176.300 0.052 0.000 1.084 804 M CA -0.140 55.178 55.300 0.030 0.000 1.161 804 M CB 0.554 33.163 32.600 0.015 0.000 1.481 804 M HN 0.665 nan 8.290 nan 0.000 0.449 805 K N 0.684 121.074 120.400 -0.017 0.000 2.089 805 K HA -0.204 4.115 4.320 -0.002 0.000 0.210 805 K C 1.744 178.308 176.600 -0.060 0.000 1.048 805 K CA 1.592 57.844 56.287 -0.058 0.000 0.926 805 K CB -0.542 31.909 32.500 -0.082 0.000 0.714 805 K HN 0.620 nan 8.250 nan 0.000 0.448 806 L N 0.734 121.947 121.223 -0.017 0.000 2.129 806 L HA -0.179 4.159 4.340 -0.002 0.000 0.212 806 L C 1.949 178.822 176.870 0.006 0.000 1.087 806 L CA 1.468 56.303 54.840 -0.010 0.000 0.757 806 L CB -0.553 41.514 42.059 0.014 0.000 0.896 806 L HN 0.113 nan 8.230 nan 0.000 0.434 807 F N 0.043 119.908 119.950 -0.141 0.000 2.161 807 F HA -0.165 4.361 4.527 -0.002 0.000 0.300 807 F C 2.143 177.653 175.800 -0.483 0.000 1.089 807 F CA 1.417 59.298 58.000 -0.199 0.000 1.282 807 F CB -0.532 38.390 39.000 -0.129 0.000 1.010 807 F HN 0.148 nan 8.300 nan 0.000 0.485 808 A N -0.985 121.402 122.820 -0.721 0.000 2.063 808 A HA 0.044 4.362 4.320 -0.002 0.000 0.211 808 A C 2.093 179.378 177.584 -0.499 0.000 1.177 808 A CA 0.641 51.879 52.037 -1.332 0.000 0.759 808 A CB -0.615 17.757 19.000 -1.047 0.000 0.857 808 A HN 0.403 nan 8.150 nan 0.000 0.468 809 E N 0.413 120.467 120.200 -0.243 0.000 2.268 809 E HA -0.227 4.121 4.350 -0.002 0.000 0.195 809 E C 2.059 178.650 176.600 -0.015 0.000 0.995 809 E CA 1.059 57.437 56.400 -0.038 0.000 0.836 809 E CB -0.094 29.569 29.700 -0.062 0.000 0.763 809 E HN 0.875 nan 8.360 nan 0.000 0.491 810 Q N -0.034 119.723 119.800 -0.072 0.000 2.368 810 Q HA -0.123 4.215 4.340 -0.002 0.000 0.210 810 Q C 1.701 177.728 176.000 0.044 0.000 0.982 810 Q CA 1.550 57.345 55.803 -0.013 0.000 0.884 810 Q CB -0.216 28.520 28.738 -0.004 0.000 0.933 810 Q HN 0.293 nan 8.270 nan 0.000 0.460 811 V N -2.812 117.126 119.914 0.040 0.000 3.542 811 V HA 0.230 4.348 4.120 -0.002 0.000 0.296 811 V C 1.989 178.003 176.094 -0.133 0.000 1.364 811 V CA 0.319 62.688 62.300 0.114 0.000 1.118 811 V CB -0.129 31.780 31.823 0.144 0.000 0.972 811 V HN 0.124 nan 8.190 nan 0.000 0.430 812 R N 1.853 122.255 120.500 -0.163 0.000 2.133 812 R HA -0.220 4.119 4.340 -0.002 0.000 0.245 812 R C 2.294 178.390 176.300 -0.340 0.000 1.137 812 R CA 2.746 58.706 56.100 -0.233 0.000 0.947 812 R CB -1.503 28.781 30.300 -0.026 0.000 0.865 812 R HN 0.526 nan 8.270 nan 0.000 0.437 813 T N -0.916 113.350 114.554 -0.481 0.000 2.897 813 T HA -0.143 4.206 4.350 -0.002 0.000 0.271 813 T C 0.874 175.186 174.700 -0.647 0.000 1.084 813 T CA 1.507 63.239 62.100 -0.613 0.000 1.123 813 T CB -0.240 68.151 68.868 -0.796 0.000 0.865 813 T HN 0.454 nan 8.240 nan 0.000 0.496 814 Y N 0.120 120.348 120.300 -0.121 0.000 2.478 814 Y HA 0.423 4.972 4.550 -0.002 0.000 0.261 814 Y C 0.993 176.792 175.900 -0.169 0.000 1.127 814 Y CA -0.922 57.107 58.100 -0.119 0.000 1.288 814 Y CB -0.172 38.230 38.460 -0.096 0.000 1.084 814 Y HN -0.062 nan 8.280 nan 0.000 0.530 815 V N 4.014 123.815 119.914 -0.188 0.000 2.521 815 V HA 0.016 4.135 4.120 -0.002 0.000 0.286 815 V C -1.323 174.665 176.094 -0.176 0.000 1.034 815 V CA -1.020 61.118 62.300 -0.270 0.000 1.045 815 V CB 1.097 32.570 31.823 -0.584 0.000 0.974 815 V HN 0.113 nan 8.190 nan 0.000 0.480 816 P HA -0.002 nan 4.420 nan 0.000 0.225 816 P C 0.386 177.650 177.300 -0.060 0.000 1.148 816 P CA 0.749 63.803 63.100 -0.077 0.000 0.779 816 P CB 0.226 31.888 31.700 -0.065 0.000 0.780 817 A N 0.148 122.928 122.820 -0.067 0.000 2.340 817 A HA 0.154 4.473 4.320 -0.002 0.000 0.268 817 A C 1.039 178.614 177.584 -0.014 0.000 1.100 817 A CA -0.277 51.747 52.037 -0.022 0.000 0.803 817 A CB 0.241 19.247 19.000 0.011 0.000 1.043 817 A HN -0.072 nan 8.150 nan 0.000 0.488 818 D N 0.206 120.608 120.400 0.003 0.000 2.289 818 D HA 0.002 4.641 4.640 -0.002 0.000 0.207 818 D C -0.513 175.802 176.300 0.026 0.000 0.966 818 D CA 1.102 55.104 54.000 0.004 0.000 0.868 818 D CB 0.237 41.039 40.800 0.003 0.000 0.943 818 D HN 0.534 nan 8.370 nan 0.000 0.514 819 D N 0.125 120.553 120.400 0.047 0.000 2.425 819 D HA 0.149 4.788 4.640 -0.002 0.000 0.240 819 D C -0.985 175.398 176.300 0.139 0.000 1.080 819 D CA -0.436 53.603 54.000 0.065 0.000 0.836 819 D CB 1.775 42.599 40.800 0.040 0.000 1.125 819 D HN -0.030 nan 8.370 nan 0.000 0.525 820 Y N 2.237 122.517 120.300 -0.032 0.000 2.333 820 Y HA 0.299 4.848 4.550 -0.002 0.000 0.324 820 Y C -0.942 174.934 175.900 -0.040 0.000 1.033 820 Y CA -0.694 57.384 58.100 -0.036 0.000 1.224 820 Y CB 0.945 39.376 38.460 -0.049 0.000 1.120 820 Y HN 0.157 nan 8.280 nan 0.000 0.457 821 R N 4.586 124.909 120.500 -0.294 0.000 2.393 821 R HA 0.730 5.069 4.340 -0.002 0.000 0.310 821 R C -1.413 174.608 176.300 -0.465 0.000 0.968 821 R CA -1.045 54.877 56.100 -0.295 0.000 0.867 821 R CB 2.051 32.262 30.300 -0.148 0.000 1.124 821 R HN 0.417 nan 8.270 nan 0.000 0.450 822 V N 5.343 125.018 119.914 -0.397 0.000 2.495 822 V HA 0.418 4.537 4.120 -0.002 0.000 0.298 822 V C -0.157 175.812 176.094 -0.209 0.000 1.031 822 V CA -0.761 61.318 62.300 -0.368 0.000 0.871 822 V CB 1.811 33.404 31.823 -0.384 0.000 0.988 822 V HN 0.562 nan 8.190 nan 0.000 0.432 823 L N 4.002 125.127 121.223 -0.163 0.000 2.325 823 L HA 0.979 5.318 4.340 -0.002 0.000 0.278 823 L C 0.554 177.364 176.870 -0.100 0.000 1.023 823 L CA -0.209 54.559 54.840 -0.120 0.000 0.811 823 L CB 1.923 43.926 42.059 -0.094 0.000 1.249 823 L HN 0.813 nan 8.230 nan 0.000 0.431 824 G N -0.533 108.210 108.800 -0.095 0.000 2.649 824 G HA2 0.413 4.371 3.960 -0.002 0.000 0.290 824 G HA3 0.413 4.371 3.960 -0.002 0.000 0.290 824 G C -0.386 174.458 174.900 -0.093 0.000 1.426 824 G CA -0.201 44.855 45.100 -0.074 0.000 0.794 824 G HN 0.481 nan 8.290 nan 0.000 0.483 825 T N -1.014 113.441 114.554 -0.165 0.000 3.268 825 T HA 0.329 4.678 4.350 -0.002 0.000 0.244 825 T C -0.336 174.203 174.700 -0.268 0.000 0.915 825 T CA -0.379 61.498 62.100 -0.372 0.000 0.935 825 T CB -0.470 67.955 68.868 -0.738 0.000 1.110 825 T HN 0.277 nan 8.240 nan 0.000 0.573 826 D N 1.663 122.027 120.400 -0.061 0.000 2.472 826 D HA 0.486 5.125 4.640 -0.002 0.000 0.237 826 D C 1.011 177.369 176.300 0.097 0.000 1.141 826 D CA 1.334 55.316 54.000 -0.031 0.000 0.875 826 D CB 0.252 41.030 40.800 -0.036 0.000 1.192 826 D HN 0.754 nan 8.370 nan 0.000 0.450 827 G N 0.167 108.976 108.800 0.015 0.000 2.515 827 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.686 827 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.686 827 G C -0.954 174.035 174.900 0.147 0.000 1.274 827 G CA -1.207 43.956 45.100 0.106 0.000 0.874 827 G HN 0.240 nan 8.290 nan 0.000 0.631 828 F N 1.434 121.517 119.950 0.222 0.000 2.484 828 F HA 0.493 5.019 4.527 -0.002 0.000 0.360 828 F C 1.664 177.668 175.800 0.339 0.000 1.101 828 F CA 1.212 59.331 58.000 0.198 0.000 1.251 828 F CB 1.001 40.071 39.000 0.116 0.000 1.132 828 F HN 0.748 nan 8.300 nan 0.000 0.570 829 G N 3.361 112.465 108.800 0.508 0.000 2.634 829 G HA2 0.544 4.503 3.960 -0.002 0.000 0.255 829 G HA3 0.544 4.503 3.960 -0.002 0.000 0.255 829 G C -0.580 174.502 174.900 0.303 0.000 1.205 829 G CA -0.734 44.642 45.100 0.461 0.000 0.884 829 G HN 0.685 nan 8.290 nan 0.000 0.549 830 R N -1.127 119.506 120.500 0.222 0.000 2.716 830 R HA 0.431 4.770 4.340 -0.002 0.000 0.271 830 R C -1.232 175.107 176.300 0.066 0.000 1.028 830 R CA -0.798 55.353 56.100 0.086 0.000 0.883 830 R CB 0.620 30.904 30.300 -0.027 0.000 1.250 830 R HN 0.377 nan 8.270 nan 0.000 0.465 831 S N 0.779 116.495 115.700 0.027 0.000 2.523 831 S HA 0.398 4.867 4.470 -0.002 0.000 0.275 831 S C -0.441 174.164 174.600 0.007 0.000 1.281 831 S CA -0.069 58.143 58.200 0.021 0.000 1.050 831 S CB 0.305 63.509 63.200 0.008 0.000 0.937 831 S HN 0.581 nan 8.310 nan 0.000 0.492 832 D N -0.123 120.291 120.400 0.023 0.000 2.896 832 D HA 0.035 4.674 4.640 -0.002 0.000 0.326 832 D C -0.874 175.450 176.300 0.040 0.000 1.348 832 D CA -0.362 53.651 54.000 0.022 0.000 0.746 832 D CB 0.597 41.402 40.800 0.008 0.000 1.307 832 D HN 0.552 nan 8.370 nan 0.000 0.447 833 S N -0.053 115.672 115.700 0.041 0.000 2.593 833 S HA 0.291 4.760 4.470 -0.002 0.000 0.269 833 S C 1.334 175.976 174.600 0.071 0.000 1.334 833 S CA -0.210 58.021 58.200 0.053 0.000 1.015 833 S CB 1.393 64.623 63.200 0.049 0.000 0.912 833 S HN 0.499 nan 8.310 nan 0.000 0.541 834 R N 0.746 121.293 120.500 0.078 0.000 2.096 834 R HA -0.118 4.220 4.340 -0.002 0.000 0.235 834 R C 2.367 178.721 176.300 0.089 0.000 1.127 834 R CA 1.676 57.829 56.100 0.088 0.000 0.968 834 R CB -0.417 29.942 30.300 0.100 0.000 0.861 834 R HN 0.899 nan 8.270 nan 0.000 0.440 835 E N 0.791 121.046 120.200 0.090 0.000 2.051 835 E HA -0.192 4.157 4.350 -0.002 0.000 0.192 835 E C 1.518 178.184 176.600 0.109 0.000 0.991 835 E CA 1.214 57.670 56.400 0.092 0.000 0.799 835 E CB 0.095 29.842 29.700 0.079 0.000 0.748 835 E HN 0.261 nan 8.360 nan 0.000 0.449 836 N N 0.479 119.236 118.700 0.096 0.000 2.188 836 N HA -0.124 4.615 4.740 -0.002 0.000 0.184 836 N C 1.963 177.568 175.510 0.159 0.000 1.018 836 N CA 0.758 53.877 53.050 0.115 0.000 0.858 836 N CB -0.207 38.319 38.487 0.064 0.000 0.989 836 N HN 0.240 nan 8.380 nan 0.000 0.426 837 L N 0.543 121.855 121.223 0.149 0.000 2.093 837 L HA -0.033 4.305 4.340 -0.002 0.000 0.208 837 L C 2.236 179.273 176.870 0.278 0.000 1.085 837 L CA 0.868 55.844 54.840 0.228 0.000 0.755 837 L CB -0.170 42.045 42.059 0.260 0.000 0.904 837 L HN 0.091 nan 8.230 nan 0.000 0.435 838 R N -1.423 119.181 120.500 0.173 0.000 2.189 838 R HA -0.154 4.184 4.340 -0.002 0.000 0.218 838 R C 2.104 178.471 176.300 0.111 0.000 1.074 838 R CA 0.819 56.974 56.100 0.093 0.000 0.991 838 R CB -0.211 30.055 30.300 -0.056 0.000 0.883 838 R HN 0.336 nan 8.270 nan 0.000 0.457 839 H N -0.725 118.395 119.070 0.083 0.000 2.384 839 H HA -0.059 4.495 4.556 -0.002 0.000 0.300 839 H C 1.978 177.326 175.328 0.032 0.000 1.057 839 H CA 1.626 57.758 56.048 0.140 0.000 1.370 839 H CB 0.059 29.920 29.762 0.165 0.000 1.417 839 H HN 0.211 nan 8.280 nan 0.000 0.527 840 H N -0.723 118.337 119.070 -0.016 0.000 2.352 840 H HA -0.124 4.430 4.556 -0.002 0.000 0.299 840 H C 1.121 176.217 175.328 -0.385 0.000 1.097 840 H CA 2.023 57.940 56.048 -0.219 0.000 1.311 840 H CB -0.488 29.095 29.762 -0.298 0.000 1.377 840 H HN 0.317 nan 8.280 nan 0.000 0.504 841 F N 1.165 120.934 119.950 -0.303 0.000 2.811 841 F HA 0.102 4.628 4.527 -0.002 0.000 0.301 841 F C 0.356 175.869 175.800 -0.477 0.000 1.151 841 F CA 0.771 58.545 58.000 -0.377 0.000 1.412 841 F CB -0.228 38.668 39.000 -0.174 0.000 1.113 841 F HN 0.241 nan 8.300 nan 0.000 0.579 842 E N -0.683 119.173 120.200 -0.573 0.000 2.252 842 E HA -0.187 4.162 4.350 -0.002 0.000 0.218 842 E C 0.568 176.814 176.600 -0.588 0.000 1.253 842 E CA 0.493 56.169 56.400 -1.208 0.000 0.705 842 E CB -1.918 26.984 29.700 -1.330 0.000 1.172 842 E HN 0.415 nan 8.360 nan 0.000 0.369 843 V N -3.091 116.668 119.914 -0.257 0.000 3.398 843 V HA 0.074 4.193 4.120 -0.002 0.000 0.298 843 V C 0.710 176.781 176.094 -0.038 0.000 1.496 843 V CA 0.374 62.611 62.300 -0.106 0.000 1.044 843 V CB 0.103 31.875 31.823 -0.085 0.000 0.880 843 V HN 0.295 nan 8.190 nan 0.000 0.443 844 D N 1.506 121.916 120.400 0.015 0.000 2.380 844 D HA 0.479 5.118 4.640 -0.002 0.000 0.254 844 D C 1.672 178.019 176.300 0.079 0.000 1.288 844 D CA 0.413 54.426 54.000 0.021 0.000 1.008 844 D CB 1.018 41.872 40.800 0.089 0.000 1.099 844 D HN 0.187 nan 8.370 nan 0.000 0.537 845 A N 0.307 123.182 122.820 0.092 0.000 1.884 845 A HA -0.257 4.061 4.320 -0.002 0.000 0.219 845 A C 2.203 179.679 177.584 -0.181 0.000 1.197 845 A CA 3.554 55.600 52.037 0.014 0.000 0.637 845 A CB -1.656 17.373 19.000 0.047 0.000 0.827 845 A HN 0.749 nan 8.150 nan 0.000 0.450 846 S N -1.470 114.033 115.700 -0.328 0.000 2.387 846 S HA -0.249 4.220 4.470 -0.002 0.000 0.230 846 S C 1.847 176.073 174.600 -0.624 0.000 1.035 846 S CA 1.754 59.427 58.200 -0.878 0.000 1.014 846 S CB -0.853 61.903 63.200 -0.739 0.000 0.836 846 S HN 0.607 nan 8.310 nan 0.000 0.466 847 Y N 1.307 121.452 120.300 -0.259 0.000 2.337 847 Y HA 0.110 4.659 4.550 -0.002 0.000 0.293 847 Y C 2.731 178.541 175.900 -0.151 0.000 1.123 847 Y CA 0.672 58.662 58.100 -0.183 0.000 1.201 847 Y CB -0.350 38.016 38.460 -0.156 0.000 1.011 847 Y HN 0.123 nan 8.280 nan 0.000 0.545 848 V N -1.089 118.828 119.914 0.004 0.000 2.295 848 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 848 V C 2.185 178.244 176.094 -0.059 0.000 1.049 848 V CA 1.597 63.888 62.300 -0.015 0.000 1.024 848 V CB -0.844 30.979 31.823 0.001 0.000 0.648 848 V HN 0.207 nan 8.190 nan 0.000 0.447 849 V N -0.247 119.593 119.914 -0.125 0.000 2.287 849 V HA -0.251 3.867 4.120 -0.002 0.000 0.248 849 V C 2.435 178.455 176.094 -0.124 0.000 1.053 849 V CA 2.123 64.346 62.300 -0.129 0.000 1.027 849 V CB -0.496 31.221 31.823 -0.176 0.000 0.646 849 V HN 0.412 nan 8.190 nan 0.000 0.447 850 V N 0.058 119.893 119.914 -0.132 0.000 2.407 850 V HA -0.238 3.880 4.120 -0.002 0.000 0.248 850 V C 2.619 178.680 176.094 -0.053 0.000 1.055 850 V CA 1.910 64.164 62.300 -0.076 0.000 1.049 850 V CB -0.981 30.791 31.823 -0.085 0.000 0.662 850 V HN 0.571 nan 8.190 nan 0.000 0.455 851 A N -0.133 122.664 122.820 -0.039 0.000 1.898 851 A HA -0.043 4.275 4.320 -0.002 0.000 0.216 851 A C 2.429 179.990 177.584 -0.038 0.000 1.181 851 A CA 1.871 53.890 52.037 -0.029 0.000 0.620 851 A CB -0.717 18.267 19.000 -0.026 0.000 0.819 851 A HN 0.537 nan 8.150 nan 0.000 0.442 852 A N 0.012 122.806 122.820 -0.044 0.000 1.858 852 A HA -0.070 4.249 4.320 -0.002 0.000 0.216 852 A C 2.162 179.716 177.584 -0.051 0.000 1.190 852 A CA 1.536 53.551 52.037 -0.036 0.000 0.617 852 A CB -0.768 18.213 19.000 -0.032 0.000 0.827 852 A HN 0.464 nan 8.150 nan 0.000 0.443 853 L N -0.539 120.629 121.223 -0.093 0.000 2.081 853 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 853 L C 2.812 179.647 176.870 -0.058 0.000 1.080 853 L CA 1.157 55.931 54.840 -0.111 0.000 0.754 853 L CB -0.912 41.028 42.059 -0.200 0.000 0.893 853 L HN 0.521 nan 8.230 nan 0.000 0.433 854 G N -0.379 108.394 108.800 -0.046 0.000 2.442 854 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.219 854 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.219 854 G C 1.431 176.321 174.900 -0.017 0.000 1.141 854 G CA 0.631 45.715 45.100 -0.026 0.000 0.763 854 G HN 0.453 nan 8.290 nan 0.000 0.554 855 E N -0.057 120.133 120.200 -0.017 0.000 2.152 855 E HA 0.045 4.394 4.350 -0.002 0.000 0.192 855 E C 2.539 179.138 176.600 -0.001 0.000 0.983 855 E CA 0.209 56.606 56.400 -0.006 0.000 0.818 855 E CB -0.103 29.597 29.700 -0.000 0.000 0.758 855 E HN 0.392 nan 8.360 nan 0.000 0.467 856 L N 0.569 121.789 121.223 -0.005 0.000 2.072 856 L HA -0.108 4.231 4.340 -0.002 0.000 0.205 856 L C 2.614 179.486 176.870 0.003 0.000 1.079 856 L CA 0.926 55.767 54.840 0.002 0.000 0.752 856 L CB -0.464 41.594 42.059 -0.001 0.000 0.906 856 L HN 0.134 nan 8.230 nan 0.000 0.436 857 A N 0.184 123.003 122.820 -0.002 0.000 1.902 857 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 857 A C 2.376 179.962 177.584 0.003 0.000 1.181 857 A CA 1.811 53.849 52.037 0.002 0.000 0.623 857 A CB -0.441 18.558 19.000 -0.001 0.000 0.818 857 A HN 0.310 nan 8.150 nan 0.000 0.443 858 K N -0.415 119.985 120.400 0.001 0.000 2.209 858 K HA -0.113 4.205 4.320 -0.002 0.000 0.204 858 K C 1.911 178.514 176.600 0.004 0.000 1.048 858 K CA 1.299 57.587 56.287 0.002 0.000 0.940 858 K CB -0.084 32.416 32.500 -0.001 0.000 0.729 858 K HN 0.467 nan 8.250 nan 0.000 0.451 859 R N -1.598 118.906 120.500 0.006 0.000 2.254 859 R HA 0.096 4.435 4.340 -0.002 0.000 0.195 859 R C 1.102 177.408 176.300 0.009 0.000 0.957 859 R CA 0.605 56.710 56.100 0.008 0.000 1.024 859 R CB 0.654 30.961 30.300 0.010 0.000 0.952 859 R HN 0.425 nan 8.270 nan 0.000 0.484 860 G N 0.725 109.531 108.800 0.009 0.000 2.184 860 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.206 860 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.206 860 G C 0.662 175.570 174.900 0.014 0.000 0.995 860 G CA 0.100 45.206 45.100 0.011 0.000 0.651 860 G HN 0.352 nan 8.290 nan 0.000 0.511 861 E N -0.089 120.120 120.200 0.016 0.000 2.150 861 E HA 0.133 4.482 4.350 -0.002 0.000 0.193 861 E C 1.462 178.077 176.600 0.025 0.000 0.985 861 E CA 1.296 57.708 56.400 0.020 0.000 0.814 861 E CB 0.060 29.773 29.700 0.022 0.000 0.752 861 E HN 0.871 nan 8.360 nan 0.000 0.466 862 I N -2.341 118.243 120.570 0.023 0.000 3.074 862 I HA 0.408 4.577 4.170 -0.002 0.000 0.310 862 I C -0.779 175.352 176.117 0.025 0.000 1.153 862 I CA -1.369 59.950 61.300 0.031 0.000 0.993 862 I CB 2.087 40.110 38.000 0.038 0.000 1.237 862 I HN -0.335 nan 8.210 nan 0.000 0.443 863 D N 2.133 122.551 120.400 0.030 0.000 2.339 863 D HA 0.194 4.832 4.640 -0.002 0.000 0.245 863 D C 0.769 177.083 176.300 0.022 0.000 1.115 863 D CA -0.112 53.903 54.000 0.024 0.000 0.917 863 D CB 1.476 42.291 40.800 0.026 0.000 1.192 863 D HN 0.573 nan 8.370 nan 0.000 0.428 864 K N 1.505 121.915 120.400 0.016 0.000 2.097 864 K HA -0.126 4.193 4.320 -0.002 0.000 0.206 864 K C 1.689 178.299 176.600 0.017 0.000 1.049 864 K CA 0.949 57.244 56.287 0.013 0.000 0.933 864 K CB 0.030 32.535 32.500 0.010 0.000 0.717 864 K HN 0.394 nan 8.250 nan 0.000 0.442 865 K N 0.762 121.174 120.400 0.020 0.000 2.211 865 K HA -0.114 4.205 4.320 -0.002 0.000 0.204 865 K C 1.904 178.525 176.600 0.035 0.000 1.047 865 K CA 0.962 57.263 56.287 0.023 0.000 0.935 865 K CB -0.049 32.462 32.500 0.020 0.000 0.728 865 K HN -0.025 nan 8.250 nan 0.000 0.452 866 V N 0.657 120.599 119.914 0.048 0.000 2.515 866 V HA -0.180 3.939 4.120 -0.002 0.000 0.250 866 V C 2.136 178.269 176.094 0.066 0.000 1.058 866 V CA 1.236 63.587 62.300 0.086 0.000 1.064 866 V CB -0.147 31.747 31.823 0.117 0.000 0.675 866 V HN 0.068 nan 8.190 nan 0.000 0.461 867 V N 0.419 120.348 119.914 0.025 0.000 2.323 867 V HA -0.165 3.954 4.120 -0.002 0.000 0.244 867 V C 2.725 178.832 176.094 0.022 0.000 1.041 867 V CA 1.802 64.105 62.300 0.005 0.000 1.025 867 V CB -1.093 30.727 31.823 -0.005 0.000 0.656 867 V HN 0.531 nan 8.190 nan 0.000 0.451 868 A N -0.175 122.658 122.820 0.022 0.000 1.978 868 A HA -0.251 4.068 4.320 -0.002 0.000 0.220 868 A C 1.972 179.569 177.584 0.021 0.000 1.170 868 A CA 2.038 54.087 52.037 0.020 0.000 0.636 868 A CB -0.502 18.507 19.000 0.016 0.000 0.810 868 A HN 0.566 nan 8.150 nan 0.000 0.448 869 D N -0.327 120.089 120.400 0.027 0.000 2.249 869 D HA 0.094 4.733 4.640 -0.002 0.000 0.205 869 D C 2.199 178.500 176.300 0.001 0.000 0.962 869 D CA 1.114 55.122 54.000 0.014 0.000 0.860 869 D CB -0.215 40.596 40.800 0.019 0.000 0.955 869 D HN 0.428 nan 8.370 nan 0.000 0.505 870 A N 1.128 123.975 122.820 0.044 0.000 1.898 870 A HA -0.115 4.204 4.320 -0.002 0.000 0.216 870 A C 2.303 179.943 177.584 0.093 0.000 1.181 870 A CA 0.731 52.797 52.037 0.049 0.000 0.620 870 A CB -0.644 18.443 19.000 0.145 0.000 0.819 870 A HN 0.156 nan 8.150 nan 0.000 0.442 871 I N -0.347 120.276 120.570 0.088 0.000 2.286 871 I HA -0.275 3.894 4.170 -0.002 0.000 0.248 871 I C 2.894 179.042 176.117 0.052 0.000 1.115 871 I CA 1.030 62.376 61.300 0.076 0.000 1.392 871 I CB -0.292 37.728 38.000 0.033 0.000 1.065 871 I HN 0.377 nan 8.210 nan 0.000 0.418 872 A N 0.694 123.523 122.820 0.015 0.000 1.872 872 A HA -0.205 4.114 4.320 -0.002 0.000 0.214 872 A C 2.399 179.963 177.584 -0.033 0.000 1.187 872 A CA 1.482 53.519 52.037 -0.001 0.000 0.614 872 A CB -0.454 18.540 19.000 -0.010 0.000 0.826 872 A HN 0.300 nan 8.150 nan 0.000 0.442 873 K N -1.319 119.015 120.400 -0.111 0.000 2.063 873 K HA -0.145 4.173 4.320 -0.002 0.000 0.208 873 K C 1.009 177.468 176.600 -0.234 0.000 1.048 873 K CA 1.643 57.792 56.287 -0.230 0.000 0.928 873 K CB -0.280 31.980 32.500 -0.401 0.000 0.713 873 K HN 0.376 nan 8.250 nan 0.000 0.442 874 F N 1.075 121.030 119.950 0.009 0.000 2.811 874 F HA 0.103 4.629 4.527 -0.002 0.000 0.301 874 F C 0.531 176.337 175.800 0.010 0.000 1.151 874 F CA 0.244 58.245 58.000 0.001 0.000 1.412 874 F CB -0.757 38.222 39.000 -0.035 0.000 1.113 874 F HN 0.199 nan 8.300 nan 0.000 0.579 875 N N 1.010 119.792 118.700 0.136 0.000 2.740 875 N HA -0.251 4.488 4.740 -0.002 0.000 0.248 875 N C -0.472 175.136 175.510 0.164 0.000 1.062 875 N CA 0.178 53.294 53.050 0.109 0.000 0.704 875 N CB -1.340 37.194 38.487 0.077 0.000 0.968 875 N HN 0.310 nan 8.380 nan 0.000 0.547 876 I N 0.194 120.840 120.570 0.126 0.000 2.371 876 I HA 0.060 4.229 4.170 -0.002 0.000 0.290 876 I C 0.538 176.705 176.117 0.083 0.000 1.028 876 I CA -0.475 60.866 61.300 0.069 0.000 1.345 876 I CB 0.695 38.597 38.000 -0.162 0.000 1.407 876 I HN 0.191 nan 8.210 nan 0.000 0.501 877 D N 6.311 126.785 120.400 0.123 0.000 2.402 877 D HA 0.188 4.826 4.640 -0.002 0.000 0.235 877 D C 0.886 177.232 176.300 0.077 0.000 1.226 877 D CA -0.051 54.006 54.000 0.095 0.000 0.918 877 D CB 1.370 42.233 40.800 0.104 0.000 1.043 877 D HN 0.642 nan 8.370 nan 0.000 0.506 878 A N 3.802 126.656 122.820 0.057 0.000 2.121 878 A HA -0.112 4.207 4.320 -0.002 0.000 0.218 878 A C 1.276 178.881 177.584 0.035 0.000 1.154 878 A CA 0.890 52.956 52.037 0.047 0.000 0.679 878 A CB 0.174 19.195 19.000 0.034 0.000 0.795 878 A HN 0.502 nan 8.150 nan 0.000 0.458 879 D N -0.794 119.626 120.400 0.033 0.000 2.402 879 D HA 0.085 4.724 4.640 -0.002 0.000 0.216 879 D C 0.382 176.695 176.300 0.021 0.000 1.128 879 D CA -0.037 53.977 54.000 0.023 0.000 0.833 879 D CB 0.144 40.956 40.800 0.021 0.000 0.971 879 D HN 0.436 nan 8.370 nan 0.000 0.503 880 K N 1.596 122.012 120.400 0.027 0.000 2.414 880 K HA 0.078 4.396 4.320 -0.002 0.000 0.272 880 K C 0.208 176.808 176.600 -0.001 0.000 0.993 880 K CA -0.235 56.064 56.287 0.021 0.000 0.964 880 K CB 1.272 33.788 32.500 0.027 0.000 0.925 880 K HN -0.196 nan 8.250 nan 0.000 0.487 881 V N 3.995 123.910 119.914 0.002 0.000 2.999 881 V HA -0.065 4.054 4.120 -0.002 0.000 0.307 881 V C 0.283 176.354 176.094 -0.038 0.000 1.084 881 V CA -0.213 62.082 62.300 -0.007 0.000 1.155 881 V CB 0.811 32.640 31.823 0.009 0.000 0.975 881 V HN 0.934 nan 8.190 nan 0.000 0.490 882 N N 5.998 124.674 118.700 -0.039 0.000 2.447 882 N HA 0.107 4.845 4.740 -0.002 0.000 0.263 882 N C -1.745 173.718 175.510 -0.079 0.000 1.226 882 N CA -0.981 52.030 53.050 -0.066 0.000 0.906 882 N CB 1.485 39.946 38.487 -0.044 0.000 1.060 882 N HN 0.444 nan 8.380 nan 0.000 0.468 883 P HA -0.167 nan 4.420 nan 0.000 0.217 883 P C 1.176 178.468 177.300 -0.013 0.000 1.148 883 P CA 1.229 64.210 63.100 -0.199 0.000 0.834 883 P CB 0.142 31.634 31.700 -0.347 0.000 0.783 884 R N -0.635 119.861 120.500 -0.008 0.000 2.193 884 R HA -0.086 4.252 4.340 -0.002 0.000 0.229 884 R C 1.159 177.473 176.300 0.023 0.000 1.110 884 R CA 1.055 57.157 56.100 0.004 0.000 0.988 884 R CB -0.397 29.884 30.300 -0.031 0.000 0.871 884 R HN 0.149 nan 8.270 nan 0.000 0.458 885 L N -0.272 120.968 121.223 0.029 0.000 2.556 885 L HA 0.308 4.646 4.340 -0.002 0.000 0.226 885 L C 1.049 177.966 176.870 0.079 0.000 1.089 885 L CA 0.497 55.367 54.840 0.050 0.000 0.864 885 L CB -0.280 41.793 42.059 0.024 0.000 1.067 885 L HN 0.069 nan 8.230 nan 0.000 0.477 886 A N 0.000 122.869 122.820 0.081 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.095 52.037 0.097 0.000 0.836 886 A CB 0.000 19.084 19.000 0.140 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486