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 1l8a_1_B 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 AFLGDGEMDE 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 0.000 176.130 176.117 0.022 0.000 1.063 56 I CA 0.000 61.311 61.300 0.018 0.000 1.566 56 I CB 0.000 38.016 38.000 0.026 0.000 1.214 57 S N 2.008 117.723 115.700 0.024 0.000 2.766 57 S HA 0.621 5.095 4.470 0.006 0.000 0.307 57 S C -0.265 174.370 174.600 0.059 0.000 1.121 57 S CA -0.956 57.261 58.200 0.029 0.000 0.980 57 S CB 0.910 64.117 63.200 0.011 0.000 1.159 57 S HN 0.829 nan 8.310 nan 0.000 0.546 58 N N -0.112 118.627 118.700 0.066 0.000 2.374 58 N HA -0.003 4.740 4.740 0.006 0.000 0.241 58 N C -1.014 174.589 175.510 0.154 0.000 1.262 58 N CA 0.120 53.237 53.050 0.112 0.000 0.880 58 N CB -0.014 38.532 38.487 0.098 0.000 1.105 58 N HN 0.576 nan 8.380 nan 0.000 0.438 59 Y N 3.280 123.614 120.300 0.057 0.000 3.028 59 Y HA 0.193 4.746 4.550 0.006 0.000 0.381 59 Y C -0.023 175.966 175.900 0.148 0.000 1.139 59 Y CA -0.106 58.023 58.100 0.049 0.000 2.013 59 Y CB -0.837 37.696 38.460 0.122 0.000 2.146 59 Y HN 0.284 nan 8.280 nan 0.000 0.412 60 I N -2.717 117.878 120.570 0.040 0.000 3.191 60 I HA 0.507 4.681 4.170 0.006 0.000 0.313 60 I C -0.626 175.448 176.117 -0.072 0.000 1.193 60 I CA -1.642 59.717 61.300 0.098 0.000 0.968 60 I CB 1.399 39.510 38.000 0.186 0.000 1.262 60 I HN -0.205 nan 8.210 nan 0.000 0.456 61 N N 1.822 120.506 118.700 -0.026 0.000 2.407 61 N HA 0.066 4.809 4.740 0.006 0.000 0.250 61 N C 0.802 176.285 175.510 -0.046 0.000 1.236 61 N CA 0.172 53.179 53.050 -0.071 0.000 0.879 61 N CB 0.769 39.257 38.487 0.001 0.000 1.088 61 N HN 0.683 nan 8.380 nan 0.000 0.450 62 T N 1.281 115.788 114.554 -0.077 0.000 2.857 62 T HA 0.072 4.426 4.350 0.006 0.000 0.266 62 T C 0.982 175.667 174.700 -0.024 0.000 1.048 62 T CA 0.757 62.823 62.100 -0.056 0.000 1.139 62 T CB 0.015 68.832 68.868 -0.084 0.000 0.874 62 T HN 0.403 nan 8.240 nan 0.000 0.455 63 I N 3.852 124.411 120.570 -0.017 0.000 2.297 63 I HA 0.251 4.424 4.170 0.006 0.000 0.291 63 I C -2.198 173.942 176.117 0.038 0.000 1.033 63 I CA -2.550 58.757 61.300 0.010 0.000 1.253 63 I CB 1.268 39.276 38.000 0.013 0.000 1.396 63 I HN -0.012 nan 8.210 nan 0.000 0.476 64 P HA -0.010 nan 4.420 nan 0.000 0.271 64 P C 0.914 178.258 177.300 0.072 0.000 1.218 64 P CA -0.117 63.020 63.100 0.062 0.000 0.780 64 P CB 1.786 33.519 31.700 0.055 0.000 0.901 65 V N 2.687 122.654 119.914 0.088 0.000 2.380 65 V HA -0.246 3.877 4.120 0.006 0.000 0.251 65 V C 2.246 178.388 176.094 0.080 0.000 1.063 65 V CA 2.546 64.902 62.300 0.093 0.000 1.055 65 V CB -1.063 30.822 31.823 0.103 0.000 0.657 65 V HN 0.760 nan 8.190 nan 0.000 0.455 66 E N -0.665 119.577 120.200 0.070 0.000 2.472 66 E HA -0.252 4.101 4.350 0.006 0.000 0.200 66 E C 1.626 178.260 176.600 0.057 0.000 1.046 66 E CA 1.635 58.071 56.400 0.060 0.000 0.871 66 E CB -0.078 29.654 29.700 0.052 0.000 0.806 66 E HN 0.806 nan 8.360 nan 0.000 0.533 67 E N 0.376 120.612 120.200 0.060 0.000 2.490 67 E HA 0.027 4.381 4.350 0.006 0.000 0.209 67 E C -0.002 176.641 176.600 0.071 0.000 0.971 67 E CA -0.216 56.218 56.400 0.057 0.000 0.988 67 E CB 0.540 30.267 29.700 0.045 0.000 1.029 67 E HN 0.389 nan 8.360 nan 0.000 0.496 68 Q N 1.910 121.763 119.800 0.088 0.000 2.299 68 Q HA 0.319 4.662 4.340 0.006 0.000 0.246 68 Q C -2.215 173.865 176.000 0.133 0.000 0.935 68 Q CA -1.850 54.026 55.803 0.122 0.000 0.887 68 Q CB 0.201 29.023 28.738 0.141 0.000 1.223 68 Q HN -0.120 nan 8.270 nan 0.000 0.439 69 P HA -0.008 nan 4.420 nan 0.000 0.276 69 P C -0.722 176.660 177.300 0.137 0.000 1.252 69 P CA -0.435 62.764 63.100 0.166 0.000 0.802 69 P CB 0.697 32.539 31.700 0.237 0.000 1.035 70 E N 1.149 121.391 120.200 0.069 0.000 2.376 70 E HA -0.063 4.291 4.350 0.006 0.000 0.266 70 E C -1.051 175.501 176.600 -0.081 0.000 1.009 70 E CA -0.376 56.038 56.400 0.025 0.000 0.902 70 E CB 0.119 29.823 29.700 0.007 0.000 0.972 70 E HN 0.350 nan 8.360 nan 0.000 0.439 71 Y N 7.247 127.417 120.300 -0.215 0.000 2.569 71 Y HA 0.072 4.625 4.550 0.006 0.000 0.332 71 Y C -1.509 174.144 175.900 -0.412 0.000 1.120 71 Y CA -1.652 56.174 58.100 -0.456 0.000 1.416 71 Y CB 0.975 39.268 38.460 -0.278 0.000 1.210 71 Y HN 0.513 nan 8.280 nan 0.000 0.528 72 P HA 0.067 nan 4.420 nan 0.000 0.231 72 P C 0.422 177.494 177.300 -0.381 0.000 1.168 72 P CA 0.687 63.427 63.100 -0.600 0.000 0.779 72 P CB 0.356 31.709 31.700 -0.579 0.000 0.844 73 G N 0.476 108.911 108.800 -0.608 0.000 2.522 73 G HA2 0.161 4.125 3.960 0.006 0.000 0.304 73 G HA3 0.161 4.125 3.960 0.006 0.000 0.304 73 G C -0.479 174.627 174.900 0.343 0.000 1.210 73 G CA -0.429 44.776 45.100 0.175 0.000 0.960 73 G HN 0.007 nan 8.290 nan 0.000 0.497 74 N N 0.829 119.714 118.700 0.309 0.000 2.663 74 N HA 0.092 4.836 4.740 0.006 0.000 0.250 74 N C 1.735 177.248 175.510 0.005 0.000 1.129 74 N CA -0.251 52.835 53.050 0.060 0.000 0.995 74 N CB 0.394 38.782 38.487 -0.165 0.000 1.324 74 N HN 0.413 nan 8.380 nan 0.000 0.512 75 L N 1.712 122.987 121.223 0.087 0.000 2.021 75 L HA -0.277 4.066 4.340 0.006 0.000 0.215 75 L C 2.293 179.141 176.870 -0.036 0.000 1.074 75 L CA 1.405 56.246 54.840 0.002 0.000 0.760 75 L CB -0.236 41.779 42.059 -0.073 0.000 0.889 75 L HN 0.510 nan 8.230 nan 0.000 0.433 76 E N 0.274 120.444 120.200 -0.049 0.000 2.051 76 E HA -0.243 4.111 4.350 0.006 0.000 0.192 76 E C 2.299 178.842 176.600 -0.095 0.000 0.991 76 E CA 1.278 57.646 56.400 -0.053 0.000 0.799 76 E CB -0.759 28.915 29.700 -0.044 0.000 0.748 76 E HN 0.514 nan 8.360 nan 0.000 0.449 77 L N 0.823 121.934 121.223 -0.187 0.000 2.056 77 L HA -0.139 4.204 4.340 0.006 0.000 0.207 77 L C 2.531 179.223 176.870 -0.295 0.000 1.078 77 L CA 1.359 56.022 54.840 -0.295 0.000 0.749 77 L CB -0.195 41.557 42.059 -0.511 0.000 0.901 77 L HN 0.141 nan 8.230 nan 0.000 0.433 78 E N -0.178 119.859 120.200 -0.273 0.000 2.110 78 E HA -0.280 4.073 4.350 0.006 0.000 0.193 78 E C 2.079 178.688 176.600 0.015 0.000 0.988 78 E CA 1.480 57.825 56.400 -0.092 0.000 0.804 78 E CB -0.004 29.738 29.700 0.070 0.000 0.745 78 E HN 0.522 nan 8.360 nan 0.000 0.458 79 R N 0.870 121.382 120.500 0.019 0.000 2.115 79 R HA -0.017 4.327 4.340 0.006 0.000 0.226 79 R C 2.063 178.419 176.300 0.094 0.000 1.100 79 R CA 0.957 57.105 56.100 0.079 0.000 0.980 79 R CB -0.182 30.167 30.300 0.081 0.000 0.875 79 R HN -0.036 nan 8.270 nan 0.000 0.445 80 R N 0.578 121.106 120.500 0.047 0.000 2.066 80 R HA 0.027 4.371 4.340 0.006 0.000 0.232 80 R C 2.278 178.682 176.300 0.174 0.000 1.131 80 R CA 1.906 58.060 56.100 0.090 0.000 0.955 80 R CB -0.386 29.926 30.300 0.020 0.000 0.851 80 R HN 0.273 nan 8.270 nan 0.000 0.432 81 I N 0.060 120.668 120.570 0.063 0.000 2.202 81 I HA -0.275 3.898 4.170 0.006 0.000 0.242 81 I C 2.733 178.989 176.117 0.231 0.000 1.091 81 I CA 1.150 62.533 61.300 0.138 0.000 1.368 81 I CB -0.265 37.725 38.000 -0.016 0.000 1.058 81 I HN 0.138 nan 8.210 nan 0.000 0.410 82 R N 0.702 121.302 120.500 0.167 0.000 2.091 82 R HA -0.160 4.183 4.340 0.006 0.000 0.238 82 R C 2.386 178.778 176.300 0.154 0.000 1.136 82 R CA 1.874 58.076 56.100 0.170 0.000 0.959 82 R CB -0.094 30.297 30.300 0.151 0.000 0.856 82 R HN 0.204 nan 8.270 nan 0.000 0.437 83 S N 0.121 115.917 115.700 0.160 0.000 2.383 83 S HA -0.094 4.379 4.470 0.006 0.000 0.227 83 S C 1.881 176.599 174.600 0.198 0.000 1.026 83 S CA 1.068 59.354 58.200 0.143 0.000 0.981 83 S CB -0.080 63.238 63.200 0.195 0.000 0.818 83 S HN 0.570 nan 8.310 nan 0.000 0.472 84 A N 1.101 124.075 122.820 0.256 0.000 1.969 84 A HA 0.037 4.361 4.320 0.006 0.000 0.218 84 A C 2.008 179.763 177.584 0.286 0.000 1.169 84 A CA 0.918 53.106 52.037 0.251 0.000 0.635 84 A CB -0.547 18.600 19.000 0.244 0.000 0.810 84 A HN 0.489 nan 8.150 nan 0.000 0.445 85 I N -0.997 119.733 120.570 0.267 0.000 2.286 85 I HA -0.216 3.957 4.170 0.006 0.000 0.245 85 I C 2.717 178.989 176.117 0.259 0.000 1.104 85 I CA 1.021 62.468 61.300 0.245 0.000 1.397 85 I CB -0.299 37.846 38.000 0.242 0.000 1.072 85 I HN 0.264 nan 8.210 nan 0.000 0.417 86 R N 0.023 120.663 120.500 0.234 0.000 2.091 86 R HA -0.233 4.110 4.340 0.006 0.000 0.238 86 R C 2.234 178.644 176.300 0.183 0.000 1.136 86 R CA 1.918 58.119 56.100 0.169 0.000 0.959 86 R CB -0.554 29.662 30.300 -0.140 0.000 0.856 86 R HN 0.564 nan 8.270 nan 0.000 0.437 87 W N 2.211 123.531 121.300 0.034 0.000 2.353 87 W HA -0.199 4.464 4.660 0.005 0.000 0.319 87 W C 1.247 177.802 176.519 0.060 0.000 1.207 87 W CA 1.389 58.760 57.345 0.044 0.000 1.291 87 W CB -0.333 29.157 29.460 0.050 0.000 1.159 87 W HN 0.103 nan 8.180 nan 0.000 0.478 88 N N 0.883 119.723 118.700 0.233 0.000 2.205 88 N HA -0.162 4.581 4.740 0.006 0.000 0.186 88 N C 1.804 177.294 175.510 -0.034 0.000 1.015 88 N CA 2.107 55.236 53.050 0.132 0.000 0.862 88 N CB -0.992 37.605 38.487 0.183 0.000 0.986 88 N HN 0.220 nan 8.380 nan 0.000 0.429 89 A N 0.661 123.460 122.820 -0.034 0.000 1.873 89 A HA -0.046 4.278 4.320 0.006 0.000 0.215 89 A C 2.316 179.809 177.584 -0.151 0.000 1.186 89 A CA 0.938 52.906 52.037 -0.116 0.000 0.616 89 A CB -0.609 18.366 19.000 -0.042 0.000 0.823 89 A HN 0.172 nan 8.150 nan 0.000 0.442 90 I N -0.559 119.926 120.570 -0.142 0.000 2.252 90 I HA -0.241 3.933 4.170 0.006 0.000 0.245 90 I C 2.578 178.513 176.117 -0.304 0.000 1.102 90 I CA 1.026 62.209 61.300 -0.196 0.000 1.385 90 I CB -0.183 37.691 38.000 -0.209 0.000 1.064 90 I HN 0.236 nan 8.210 nan 0.000 0.414 91 M N -0.357 118.980 119.600 -0.437 0.000 2.080 91 M HA -0.192 4.291 4.480 0.006 0.000 0.260 91 M C 2.442 178.599 176.300 -0.238 0.000 1.068 91 M CA 1.956 56.983 55.300 -0.455 0.000 1.109 91 M CB -1.772 30.488 32.600 -0.567 0.000 1.342 91 M HN 0.213 nan 8.290 nan 0.000 0.405 92 T N 1.001 115.491 114.554 -0.106 0.000 2.635 92 T HA -0.120 4.234 4.350 0.006 0.000 0.267 92 T C 2.057 176.636 174.700 -0.202 0.000 1.040 92 T CA 1.759 63.782 62.100 -0.128 0.000 1.156 92 T CB -0.464 68.201 68.868 -0.337 0.000 0.863 92 T HN 0.169 nan 8.240 nan 0.000 0.430 93 V N 1.405 121.165 119.914 -0.257 0.000 2.427 93 V HA -0.065 4.058 4.120 0.006 0.000 0.248 93 V C 2.525 178.608 176.094 -0.019 0.000 1.051 93 V CA 1.040 63.278 62.300 -0.103 0.000 1.048 93 V CB -0.591 31.190 31.823 -0.070 0.000 0.666 93 V HN 0.374 nan 8.190 nan 0.000 0.456 94 L N 0.124 121.295 121.223 -0.087 0.000 2.083 94 L HA -0.090 4.254 4.340 0.006 0.000 0.209 94 L C 2.750 179.581 176.870 -0.064 0.000 1.083 94 L CA 1.865 56.656 54.840 -0.081 0.000 0.752 94 L CB -1.019 40.952 42.059 -0.146 0.000 0.899 94 L HN 0.367 nan 8.230 nan 0.000 0.433 95 R N -0.542 119.910 120.500 -0.081 0.000 2.115 95 R HA -0.061 4.283 4.340 0.006 0.000 0.230 95 R C 2.105 178.408 176.300 0.005 0.000 1.111 95 R CA 1.171 57.236 56.100 -0.058 0.000 0.976 95 R CB -0.411 29.841 30.300 -0.079 0.000 0.870 95 R HN 0.310 nan 8.270 nan 0.000 0.445 96 A N 1.653 124.508 122.820 0.059 0.000 1.897 96 A HA -0.147 4.176 4.320 0.006 0.000 0.215 96 A C 2.369 179.986 177.584 0.055 0.000 1.181 96 A CA 1.720 53.819 52.037 0.104 0.000 0.620 96 A CB -0.453 18.706 19.000 0.265 0.000 0.821 96 A HN 0.417 nan 8.150 nan 0.000 0.443 97 S N -0.134 115.593 115.700 0.045 0.000 2.402 97 S HA -0.123 4.350 4.470 0.006 0.000 0.229 97 S C 1.827 176.431 174.600 0.006 0.000 1.021 97 S CA 1.230 59.444 58.200 0.023 0.000 0.974 97 S CB -0.326 62.884 63.200 0.017 0.000 0.800 97 S HN 0.485 nan 8.310 nan 0.000 0.484 98 K N 1.524 121.922 120.400 -0.003 0.000 2.152 98 K HA -0.042 4.282 4.320 0.006 0.000 0.206 98 K C 1.979 178.575 176.600 -0.006 0.000 1.048 98 K CA 1.194 57.475 56.287 -0.011 0.000 0.933 98 K CB -0.229 32.256 32.500 -0.024 0.000 0.721 98 K HN 0.482 nan 8.250 nan 0.000 0.447 99 K N 0.613 121.012 120.400 -0.001 0.000 2.360 99 K HA -0.147 4.177 4.320 0.006 0.000 0.201 99 K C 0.262 176.861 176.600 -0.002 0.000 1.046 99 K CA 0.720 57.007 56.287 -0.001 0.000 0.945 99 K CB -0.107 32.395 32.500 0.003 0.000 0.750 99 K HN 0.072 nan 8.250 nan 0.000 0.464 100 D N 0.045 120.444 120.400 -0.001 0.000 2.689 100 D HA -0.173 4.470 4.640 0.006 0.000 0.237 100 D C -0.530 175.768 176.300 -0.003 0.000 1.148 100 D CA 0.555 54.554 54.000 -0.002 0.000 0.656 100 D CB -1.051 39.748 40.800 -0.003 0.000 1.050 100 D HN 0.217 nan 8.370 nan 0.000 0.426 101 L N 0.398 121.618 121.223 -0.005 0.000 3.014 101 L HA 0.170 4.513 4.340 0.006 0.000 0.263 101 L C 0.594 177.457 176.870 -0.012 0.000 1.207 101 L CA -0.416 54.419 54.840 -0.008 0.000 1.017 101 L CB 0.368 42.420 42.059 -0.010 0.000 1.360 101 L HN -0.067 nan 8.230 nan 0.000 0.560 102 E N 0.105 120.300 120.200 -0.009 0.000 2.440 102 E HA -0.240 4.114 4.350 0.006 0.000 0.246 102 E C 1.018 177.607 176.600 -0.017 0.000 1.165 102 E CA 0.548 56.942 56.400 -0.009 0.000 0.726 102 E CB -1.910 27.785 29.700 -0.008 0.000 1.271 102 E HN 0.515 nan 8.360 nan 0.000 0.397 103 L N -1.050 120.159 121.223 -0.023 0.000 2.093 103 L HA -0.014 4.329 4.340 0.006 0.000 0.208 103 L C 1.593 178.432 176.870 -0.053 0.000 1.085 103 L CA 1.163 55.971 54.840 -0.053 0.000 0.755 103 L CB -0.504 41.517 42.059 -0.063 0.000 0.904 103 L HN 0.517 nan 8.230 nan 0.000 0.435 104 G N -0.681 108.114 108.800 -0.009 0.000 2.698 104 G HA2 0.205 4.169 3.960 0.006 0.000 0.225 104 G HA3 0.205 4.169 3.960 0.006 0.000 0.225 104 G C -0.050 174.902 174.900 0.085 0.000 1.345 104 G CA -0.438 44.667 45.100 0.007 0.000 0.871 104 G HN 0.865 nan 8.290 nan 0.000 0.540 105 G N -1.396 107.470 108.800 0.111 0.000 2.653 105 G HA2 0.528 4.491 3.960 0.006 0.000 0.656 105 G HA3 0.528 4.491 3.960 0.006 0.000 0.656 105 G C -0.810 174.208 174.900 0.197 0.000 1.419 105 G CA 0.239 45.540 45.100 0.335 0.000 0.862 105 G HN 1.417 nan 8.290 nan 0.000 0.639 106 H N 1.811 121.042 119.070 0.269 0.000 2.502 106 H HA 0.675 5.234 4.556 0.006 0.000 0.338 106 H C 0.850 176.303 175.328 0.208 0.000 1.155 106 H CA -0.691 55.501 56.048 0.241 0.000 1.237 106 H CB 2.042 31.997 29.762 0.322 0.000 1.534 106 H HN 0.467 nan 8.280 nan 0.000 0.523 107 M N 0.212 120.000 119.600 0.313 0.000 2.227 107 M HA 0.133 4.617 4.480 0.006 0.000 0.226 107 M C 2.267 178.738 176.300 0.284 0.000 1.423 107 M CA 0.493 55.945 55.300 0.253 0.000 1.055 107 M CB 0.357 33.053 32.600 0.160 0.000 1.572 107 M HN 0.656 nan 8.290 nan 0.000 0.567 108 A N 0.162 123.142 122.820 0.267 0.000 1.908 108 A HA -0.182 4.141 4.320 0.006 0.000 0.218 108 A C 2.188 179.942 177.584 0.283 0.000 1.181 108 A CA 2.505 54.696 52.037 0.256 0.000 0.627 108 A CB -0.873 18.261 19.000 0.224 0.000 0.818 108 A HN 0.450 nan 8.150 nan 0.000 0.445 109 S N -1.642 114.263 115.700 0.341 0.000 2.355 109 S HA -0.145 4.329 4.470 0.006 0.000 0.222 109 S C 1.746 176.527 174.600 0.302 0.000 1.031 109 S CA 1.535 59.935 58.200 0.334 0.000 0.993 109 S CB -0.491 62.979 63.200 0.450 0.000 0.859 109 S HN 0.609 nan 8.310 nan 0.000 0.453 110 F N 2.343 122.401 119.950 0.179 0.000 2.269 110 F HA 0.018 4.549 4.527 0.006 0.000 0.301 110 F C 2.359 178.274 175.800 0.191 0.000 1.082 110 F CA 1.313 59.406 58.000 0.154 0.000 1.360 110 F CB -0.482 38.570 39.000 0.086 0.000 1.041 110 F HN 0.214 nan 8.300 nan 0.000 0.512 111 Q N 0.150 119.997 119.800 0.078 0.000 2.124 111 Q HA -0.144 4.200 4.340 0.006 0.000 0.202 111 Q C 2.571 178.669 176.000 0.164 0.000 0.977 111 Q CA 1.733 57.572 55.803 0.060 0.000 0.850 111 Q CB -0.830 28.041 28.738 0.221 0.000 0.901 111 Q HN 0.578 nan 8.270 nan 0.000 0.429 112 S N -0.430 115.373 115.700 0.173 0.000 2.461 112 S HA -0.031 4.442 4.470 0.006 0.000 0.228 112 S C 1.831 176.401 174.600 -0.050 0.000 1.005 112 S CA 0.966 59.258 58.200 0.152 0.000 0.942 112 S CB -0.048 63.234 63.200 0.138 0.000 0.776 112 S HN 0.306 nan 8.310 nan 0.000 0.514 113 S N 0.342 116.030 115.700 -0.019 0.000 2.559 113 S HA 0.607 5.081 4.470 0.006 0.000 0.226 113 S C 1.762 176.370 174.600 0.014 0.000 1.000 113 S CA 0.132 58.339 58.200 0.012 0.000 0.948 113 S CB 0.052 63.386 63.200 0.223 0.000 0.870 113 S HN 0.600 nan 8.310 nan 0.000 0.497 114 A N 2.697 125.342 122.820 -0.290 0.000 1.884 114 A HA -0.125 4.198 4.320 0.006 0.000 0.219 114 A C 2.321 179.907 177.584 0.005 0.000 1.197 114 A CA 2.519 54.287 52.037 -0.449 0.000 0.637 114 A CB -1.851 16.752 19.000 -0.662 0.000 0.827 114 A HN 0.564 nan 8.150 nan 0.000 0.450 115 T N 0.187 114.753 114.554 0.021 0.000 2.833 115 T HA -0.073 4.280 4.350 0.006 0.000 0.269 115 T C 1.766 176.513 174.700 0.078 0.000 1.054 115 T CA 1.433 63.584 62.100 0.085 0.000 1.135 115 T CB -0.439 68.480 68.868 0.085 0.000 0.869 115 T HN 0.450 nan 8.240 nan 0.000 0.466 116 I N -0.235 120.345 120.570 0.017 0.000 2.179 116 I HA -0.181 3.993 4.170 0.006 0.000 0.242 116 I C 2.148 178.216 176.117 -0.083 0.000 1.088 116 I CA 1.599 62.887 61.300 -0.019 0.000 1.357 116 I CB -0.427 37.556 38.000 -0.027 0.000 1.051 116 I HN 0.224 nan 8.210 nan 0.000 0.409 117 Y N 0.558 120.908 120.300 0.083 0.000 2.242 117 Y HA -0.288 4.265 4.550 0.005 0.000 0.291 117 Y C 2.356 178.364 175.900 0.180 0.000 1.137 117 Y CA 1.641 59.792 58.100 0.086 0.000 1.181 117 Y CB -0.346 38.333 38.460 0.366 0.000 0.989 117 Y HN 0.190 nan 8.280 nan 0.000 0.527 118 D N -0.342 120.289 120.400 0.385 0.000 2.104 118 D HA -0.175 4.468 4.640 0.006 0.000 0.194 118 D C 2.177 178.633 176.300 0.259 0.000 0.994 118 D CA 1.368 55.578 54.000 0.351 0.000 0.830 118 D CB -0.222 40.741 40.800 0.271 0.000 0.959 118 D HN 0.064 nan 8.370 nan 0.000 0.452 119 V N -0.243 119.790 119.914 0.199 0.000 2.343 119 V HA -0.294 3.830 4.120 0.006 0.000 0.247 119 V C 2.720 178.892 176.094 0.129 0.000 1.051 119 V CA 1.525 64.003 62.300 0.297 0.000 1.036 119 V CB -0.425 31.578 31.823 0.300 0.000 0.654 119 V HN 0.444 nan 8.190 nan 0.000 0.451 120 C N -0.923 118.181 119.300 -0.326 0.000 2.446 120 C HA -0.118 4.345 4.460 0.006 0.000 0.277 120 C C 2.494 177.033 174.990 -0.753 0.000 1.275 120 C CA 0.806 59.294 59.018 -0.883 0.000 1.727 120 C CB -1.214 25.371 27.740 -1.926 0.000 2.010 120 C HN 0.564 nan 8.230 nan 0.000 0.486 121 F N 1.139 120.895 119.950 -0.325 0.000 2.259 121 F HA -0.081 4.449 4.527 0.006 0.000 0.298 121 F C 2.361 178.113 175.800 -0.080 0.000 1.088 121 F CA 1.058 59.045 58.000 -0.021 0.000 1.358 121 F CB -0.236 38.850 39.000 0.142 0.000 1.040 121 F HN 0.290 nan 8.300 nan 0.000 0.505 122 N N -1.109 117.617 118.700 0.045 0.000 2.395 122 N HA -0.050 4.693 4.740 0.006 0.000 0.175 122 N C 0.772 175.867 175.510 -0.691 0.000 1.029 122 N CA 1.149 54.033 53.050 -0.277 0.000 0.897 122 N CB -0.120 38.223 38.487 -0.241 0.000 0.991 122 N HN 0.391 nan 8.380 nan 0.000 0.441 123 H N -2.994 116.027 119.070 -0.081 0.000 3.535 123 H HA 0.296 4.856 4.556 0.006 0.000 0.260 123 H C 0.352 175.295 175.328 -0.641 0.000 1.173 123 H CA -0.114 55.743 56.048 -0.319 0.000 1.168 123 H CB 0.521 30.103 29.762 -0.300 0.000 1.568 123 H HN 0.021 nan 8.280 nan 0.000 0.602 124 F N -0.795 119.090 119.950 -0.109 0.000 2.495 124 F HA 0.263 4.793 4.527 0.006 0.000 0.272 124 F C 0.288 176.114 175.800 0.044 0.000 0.919 124 F CA -0.426 57.518 58.000 -0.093 0.000 1.178 124 F CB 0.164 39.002 39.000 -0.269 0.000 1.030 124 F HN -0.134 nan 8.300 nan 0.000 0.777 125 F N 3.354 123.336 119.950 0.053 0.000 2.569 125 F HA 0.073 4.604 4.527 0.006 0.000 0.395 125 F C 0.615 176.464 175.800 0.081 0.000 1.028 125 F CA -0.131 57.876 58.000 0.012 0.000 1.158 125 F CB 0.063 38.961 39.000 -0.171 0.000 1.023 125 F HN -0.240 nan 8.300 nan 0.000 0.547 126 R N 3.198 123.896 120.500 0.329 0.000 2.265 126 R HA 0.557 4.901 4.340 0.006 0.000 0.319 126 R C -0.045 176.363 176.300 0.179 0.000 1.006 126 R CA -0.693 55.547 56.100 0.233 0.000 0.880 126 R CB 1.324 31.758 30.300 0.224 0.000 1.077 126 R HN 0.670 nan 8.270 nan 0.000 0.454 127 A N 2.821 125.732 122.820 0.151 0.000 2.272 127 A HA 0.260 4.584 4.320 0.006 0.000 0.275 127 A C 0.139 177.759 177.584 0.061 0.000 1.096 127 A CA -0.571 51.526 52.037 0.099 0.000 0.822 127 A CB 0.392 19.434 19.000 0.071 0.000 1.088 127 A HN 0.818 nan 8.150 nan 0.000 0.495 128 R N 0.280 120.801 120.500 0.034 0.000 2.585 128 R HA 0.101 4.445 4.340 0.006 0.000 0.275 128 R C -0.115 176.167 176.300 -0.031 0.000 1.018 128 R CA 1.092 57.193 56.100 0.003 0.000 1.072 128 R CB -0.103 30.201 30.300 0.006 0.000 0.953 128 R HN 0.977 nan 8.270 nan 0.000 0.419 129 N N -0.101 118.540 118.700 -0.099 0.000 3.102 129 N HA 0.050 4.794 4.740 0.006 0.000 0.299 129 N C -0.188 175.251 175.510 -0.119 0.000 1.482 129 N CA -0.973 51.967 53.050 -0.182 0.000 0.785 129 N CB 0.746 38.874 38.487 -0.597 0.000 1.680 129 N HN 0.613 nan 8.380 nan 0.000 0.594 130 E N -1.200 118.935 120.200 -0.109 0.000 2.265 130 E HA -0.189 4.165 4.350 0.006 0.000 0.196 130 E C 0.640 177.210 176.600 -0.050 0.000 0.996 130 E CA 1.236 57.607 56.400 -0.048 0.000 0.832 130 E CB 0.122 29.811 29.700 -0.020 0.000 0.756 130 E HN 0.502 nan 8.360 nan 0.000 0.491 131 Q N 0.465 120.210 119.800 -0.091 0.000 2.297 131 Q HA 0.083 4.426 4.340 0.006 0.000 0.203 131 Q C 0.115 176.087 176.000 -0.047 0.000 0.931 131 Q CA 1.049 56.815 55.803 -0.061 0.000 0.885 131 Q CB 0.436 29.134 28.738 -0.067 0.000 0.991 131 Q HN 0.417 nan 8.270 nan 0.000 0.498 132 D N -3.056 117.307 120.400 -0.061 0.000 2.692 132 D HA 0.289 4.933 4.640 0.006 0.000 0.303 132 D C 0.400 176.690 176.300 -0.017 0.000 1.278 132 D CA -0.399 53.586 54.000 -0.025 0.000 0.852 132 D CB 0.005 40.796 40.800 -0.015 0.000 1.375 132 D HN -0.095 nan 8.370 nan 0.000 0.453 133 G N -1.155 107.656 108.800 0.018 0.000 2.882 133 G HA2 0.433 4.396 3.960 0.006 0.000 0.206 133 G HA3 0.433 4.396 3.960 0.006 0.000 0.206 133 G C 0.994 175.920 174.900 0.043 0.000 1.155 133 G CA 0.462 45.582 45.100 0.033 0.000 0.800 133 G HN 1.132 nan 8.290 nan 0.000 0.524 134 G N 0.036 108.856 108.800 0.034 0.000 2.698 134 G HA2 -0.219 3.744 3.960 0.006 0.000 0.233 134 G HA3 -0.219 3.744 3.960 0.006 0.000 0.233 134 G C -0.725 174.242 174.900 0.111 0.000 1.352 134 G CA -0.278 44.861 45.100 0.066 0.000 0.879 134 G HN 0.257 nan 8.290 nan 0.000 0.567 135 D N 0.407 120.900 120.400 0.155 0.000 2.382 135 D HA 0.425 5.069 4.640 0.006 0.000 0.245 135 D C 0.744 177.149 176.300 0.176 0.000 1.120 135 D CA 0.142 54.266 54.000 0.207 0.000 0.890 135 D CB 0.849 41.872 40.800 0.372 0.000 1.201 135 D HN 0.465 nan 8.370 nan 0.000 0.433 136 L N 2.260 123.607 121.223 0.207 0.000 2.270 136 L HA 0.262 4.606 4.340 0.006 0.000 0.286 136 L C -0.381 176.642 176.870 0.253 0.000 1.059 136 L CA -0.782 54.220 54.840 0.271 0.000 0.839 136 L CB 0.809 43.005 42.059 0.228 0.000 1.221 136 L HN -0.044 nan 8.230 nan 0.000 0.431 137 V N 3.426 123.424 119.914 0.140 0.000 2.350 137 V HA 0.167 4.291 4.120 0.006 0.000 0.276 137 V C -0.422 175.691 176.094 0.031 0.000 1.028 137 V CA -0.465 61.773 62.300 -0.102 0.000 0.860 137 V CB 0.797 31.990 31.823 -1.049 0.000 0.990 137 V HN 0.393 nan 8.190 nan 0.000 0.453 138 Y N 4.993 125.341 120.300 0.081 0.000 2.714 138 Y HA 0.417 4.970 4.550 0.006 0.000 0.333 138 Y C 0.356 176.379 175.900 0.206 0.000 1.220 138 Y CA -1.006 57.213 58.100 0.199 0.000 1.513 138 Y CB -0.388 38.114 38.460 0.069 0.000 1.435 138 Y HN 0.502 nan 8.280 nan 0.000 0.489 139 F N 0.990 121.117 119.950 0.295 0.000 2.572 139 F HA 0.003 4.533 4.527 0.005 0.000 0.370 139 F C 1.089 176.984 175.800 0.159 0.000 1.103 139 F CA -0.069 58.051 58.000 0.202 0.000 1.286 139 F CB 0.456 39.513 39.000 0.096 0.000 1.105 139 F HN 0.331 nan 8.300 nan 0.000 0.583 140 Q N 2.361 122.389 119.800 0.380 0.000 2.274 140 Q HA 0.060 4.404 4.340 0.006 0.000 0.280 140 Q C 1.354 177.353 176.000 -0.002 0.000 1.047 140 Q CA 0.319 56.225 55.803 0.172 0.000 0.907 140 Q CB 1.073 29.901 28.738 0.151 0.000 1.171 140 Q HN 0.973 nan 8.270 nan 0.000 0.381 141 G N 3.709 112.477 108.800 -0.054 0.000 2.553 141 G HA2 -0.334 3.629 3.960 0.006 0.000 0.218 141 G HA3 -0.334 3.629 3.960 0.006 0.000 0.218 141 G C 0.935 175.823 174.900 -0.019 0.000 1.195 141 G CA 1.238 46.259 45.100 -0.132 0.000 0.779 141 G HN 0.981 nan 8.290 nan 0.000 0.577 142 H N 0.696 119.722 119.070 -0.073 0.000 2.553 142 H HA 0.111 4.671 4.556 0.006 0.000 0.269 142 H C 1.803 177.176 175.328 0.075 0.000 1.011 142 H CA 0.824 56.879 56.048 0.011 0.000 1.150 142 H CB -0.381 29.101 29.762 -0.466 0.000 1.339 142 H HN 0.565 nan 8.280 nan 0.000 0.604 143 I N -0.718 119.764 120.570 -0.147 0.000 3.904 143 I HA 0.155 4.329 4.170 0.006 0.000 0.333 143 I C 1.879 177.842 176.117 -0.257 0.000 1.361 143 I CA -0.045 61.214 61.300 -0.070 0.000 1.116 143 I CB 0.102 38.159 38.000 0.095 0.000 1.028 143 I HN 0.062 nan 8.210 nan 0.000 0.398 144 S N 1.358 116.952 115.700 -0.178 0.000 2.387 144 S HA -0.049 4.424 4.470 0.006 0.000 0.230 144 S C -0.355 173.974 174.600 -0.453 0.000 1.035 144 S CA 1.157 59.179 58.200 -0.296 0.000 1.014 144 S CB -2.168 60.891 63.200 -0.236 0.000 0.836 144 S HN 0.374 nan 8.310 nan 0.000 0.466 145 P HA 0.015 nan 4.420 nan 0.000 0.218 145 P C 1.820 178.828 177.300 -0.487 0.000 1.148 145 P CA 1.656 64.566 63.100 -0.318 0.000 0.822 145 P CB -0.712 30.787 31.700 -0.335 0.000 0.784 146 G N -0.641 107.585 108.800 -0.956 0.000 2.422 146 G HA2 -0.171 3.793 3.960 0.006 0.000 0.218 146 G HA3 -0.171 3.793 3.960 0.006 0.000 0.218 146 G C 1.569 175.986 174.900 -0.804 0.000 1.140 146 G CA 0.419 44.572 45.100 -1.579 0.000 0.775 146 G HN 0.168 nan 8.290 nan 0.000 0.545 147 V N -0.277 119.247 119.914 -0.649 0.000 2.379 147 V HA -0.112 4.011 4.120 0.006 0.000 0.245 147 V C 2.313 178.262 176.094 -0.241 0.000 1.044 147 V CA 1.184 63.218 62.300 -0.443 0.000 1.036 147 V CB -0.691 30.836 31.823 -0.493 0.000 0.664 147 V HN 0.516 nan 8.190 nan 0.000 0.453 148 Y N 0.279 120.468 120.300 -0.186 0.000 2.242 148 Y HA -0.190 4.363 4.550 0.006 0.000 0.291 148 Y C 2.592 178.382 175.900 -0.182 0.000 1.137 148 Y CA 0.742 58.728 58.100 -0.190 0.000 1.181 148 Y CB -0.347 37.992 38.460 -0.202 0.000 0.989 148 Y HN 0.253 nan 8.280 nan 0.000 0.527 149 A N 0.745 123.528 122.820 -0.061 0.000 1.877 149 A HA -0.257 4.066 4.320 0.006 0.000 0.216 149 A C 2.187 179.798 177.584 0.046 0.000 1.186 149 A CA 1.975 53.993 52.037 -0.032 0.000 0.620 149 A CB -0.751 18.212 19.000 -0.061 0.000 0.822 149 A HN 0.464 nan 8.150 nan 0.000 0.443 150 R N -0.359 120.106 120.500 -0.059 0.000 2.075 150 R HA -0.030 4.313 4.340 0.006 0.000 0.232 150 R C 2.228 178.467 176.300 -0.101 0.000 1.126 150 R CA 1.459 57.496 56.100 -0.105 0.000 0.963 150 R CB -0.458 29.651 30.300 -0.317 0.000 0.858 150 R HN 0.385 nan 8.270 nan 0.000 0.435 151 A N 0.666 123.447 122.820 -0.065 0.000 1.933 151 A HA -0.189 4.135 4.320 0.006 0.000 0.218 151 A C 1.975 179.547 177.584 -0.020 0.000 1.175 151 A CA 1.342 53.368 52.037 -0.018 0.000 0.628 151 A CB -0.798 18.289 19.000 0.145 0.000 0.814 151 A HN 0.592 nan 8.150 nan 0.000 0.444 152 F N -0.024 119.845 119.950 -0.135 0.000 2.113 152 F HA -0.089 4.442 4.527 0.006 0.000 0.297 152 F C 1.710 177.448 175.800 -0.103 0.000 1.103 152 F CA 1.582 59.488 58.000 -0.157 0.000 1.248 152 F CB -0.369 38.494 39.000 -0.228 0.000 0.999 152 F HN 0.144 nan 8.300 nan 0.000 0.475 153 L N 0.804 121.933 121.223 -0.157 0.000 2.191 153 L HA -0.149 4.195 4.340 0.006 0.000 0.212 153 L C 1.992 178.763 176.870 -0.165 0.000 1.103 153 L CA 1.734 56.465 54.840 -0.182 0.000 0.769 153 L CB -0.785 41.307 42.059 0.056 0.000 0.908 153 L HN 0.235 nan 8.230 nan 0.000 0.438 154 E N -1.227 118.855 120.200 -0.197 0.000 2.489 154 E HA 0.130 4.483 4.350 0.006 0.000 0.193 154 E C 1.299 177.797 176.600 -0.169 0.000 1.057 154 E CA 0.504 56.755 56.400 -0.248 0.000 0.866 154 E CB 0.002 29.489 29.700 -0.355 0.000 0.916 154 E HN 0.502 nan 8.360 nan 0.000 0.500 155 G N 1.973 110.646 108.800 -0.210 0.000 2.143 155 G HA2 -0.343 3.620 3.960 0.006 0.000 0.248 155 G HA3 -0.343 3.620 3.960 0.006 0.000 0.248 155 G C 0.848 175.647 174.900 -0.168 0.000 0.991 155 G CA 0.444 45.428 45.100 -0.195 0.000 0.689 155 G HN 0.258 nan 8.290 nan 0.000 0.522 156 R N -0.948 119.452 120.500 -0.167 0.000 2.246 156 R HA 0.365 4.708 4.340 0.006 0.000 0.199 156 R C 0.954 177.208 176.300 -0.077 0.000 0.984 156 R CA 0.478 56.510 56.100 -0.113 0.000 1.015 156 R CB 0.347 30.600 30.300 -0.078 0.000 0.930 156 R HN 0.433 nan 8.270 nan 0.000 0.475 157 L N 0.838 122.021 121.223 -0.067 0.000 2.354 157 L HA 0.354 4.698 4.340 0.006 0.000 0.264 157 L C 0.202 177.104 176.870 0.053 0.000 1.008 157 L CA -0.944 53.858 54.840 -0.063 0.000 0.819 157 L CB 2.239 44.230 42.059 -0.112 0.000 1.339 157 L HN -0.001 nan 8.230 nan 0.000 0.420 158 T N -2.974 111.586 114.554 0.009 0.000 2.912 158 T HA 0.137 4.490 4.350 0.006 0.000 0.280 158 T C 0.561 175.279 174.700 0.031 0.000 0.989 158 T CA -0.558 61.583 62.100 0.069 0.000 0.995 158 T CB 1.939 70.806 68.868 -0.002 0.000 1.077 158 T HN 0.639 nan 8.240 nan 0.000 0.531 159 Q N 0.058 119.898 119.800 0.067 0.000 2.124 159 Q HA -0.183 4.160 4.340 0.006 0.000 0.202 159 Q C 1.991 177.916 176.000 -0.125 0.000 0.977 159 Q CA 1.806 57.512 55.803 -0.161 0.000 0.850 159 Q CB -0.162 28.613 28.738 0.062 0.000 0.901 159 Q HN 0.959 nan 8.270 nan 0.000 0.429 160 E N 0.057 120.230 120.200 -0.046 0.000 2.077 160 E HA -0.233 4.120 4.350 0.006 0.000 0.193 160 E C 1.941 178.493 176.600 -0.081 0.000 0.989 160 E CA 1.146 57.522 56.400 -0.039 0.000 0.800 160 E CB 0.051 29.736 29.700 -0.025 0.000 0.746 160 E HN 0.449 nan 8.360 nan 0.000 0.452 161 Q N 0.184 119.909 119.800 -0.124 0.000 2.084 161 Q HA -0.128 4.215 4.340 0.006 0.000 0.202 161 Q C 2.474 178.342 176.000 -0.219 0.000 0.978 161 Q CA 1.299 56.996 55.803 -0.177 0.000 0.844 161 Q CB -0.027 28.579 28.738 -0.220 0.000 0.898 161 Q HN 0.376 nan 8.270 nan 0.000 0.426 162 L N 0.671 121.714 121.223 -0.299 0.000 2.083 162 L HA -0.203 4.140 4.340 0.006 0.000 0.209 162 L C 1.565 178.368 176.870 -0.112 0.000 1.083 162 L CA 0.888 55.519 54.840 -0.349 0.000 0.752 162 L CB -0.343 41.239 42.059 -0.795 0.000 0.899 162 L HN 0.216 nan 8.230 nan 0.000 0.433 163 D N -0.204 120.163 120.400 -0.055 0.000 2.310 163 D HA -0.101 4.542 4.640 0.006 0.000 0.212 163 D C 1.077 177.393 176.300 0.027 0.000 0.965 163 D CA 0.798 54.824 54.000 0.043 0.000 0.879 163 D CB -0.077 40.752 40.800 0.049 0.000 0.921 163 D HN 0.214 nan 8.370 nan 0.000 0.510 164 N N 0.198 118.892 118.700 -0.010 0.000 2.321 164 N HA 0.010 4.754 4.740 0.006 0.000 0.242 164 N C -0.421 175.079 175.510 -0.017 0.000 1.141 164 N CA -0.349 52.691 53.050 -0.018 0.000 0.864 164 N CB -0.101 38.358 38.487 -0.047 0.000 1.100 164 N HN 0.071 nan 8.380 nan 0.000 0.510 165 F N 2.128 121.995 119.950 -0.138 0.000 2.578 165 F HA 0.076 4.607 4.527 0.005 0.000 0.381 165 F C 1.187 176.936 175.800 -0.086 0.000 1.069 165 F CA 0.174 58.086 58.000 -0.146 0.000 1.231 165 F CB 0.258 39.194 39.000 -0.107 0.000 1.086 165 F HN 0.162 nan 8.300 nan 0.000 0.564 166 R N 2.916 123.024 120.500 -0.653 0.000 3.878 166 R HA -0.206 4.137 4.340 0.006 0.000 0.330 166 R C -0.743 175.400 176.300 -0.261 0.000 1.186 166 R CA 0.977 56.740 56.100 -0.561 0.000 0.885 166 R CB -1.791 28.062 30.300 -0.744 0.000 1.377 166 R HN 0.801 nan 8.270 nan 0.000 0.523 167 Q N 0.202 119.897 119.800 -0.175 0.000 3.021 167 Q HA 0.086 4.430 4.340 0.006 0.000 0.234 167 Q C 0.127 176.074 176.000 -0.088 0.000 0.930 167 Q CA -0.234 55.508 55.803 -0.103 0.000 0.714 167 Q CB 1.186 29.893 28.738 -0.052 0.000 1.325 167 Q HN 0.415 nan 8.270 nan 0.000 0.473 168 E N -0.361 119.780 120.200 -0.100 0.000 2.511 168 E HA 0.044 4.398 4.350 0.006 0.000 0.209 168 E C 1.158 177.703 176.600 -0.092 0.000 0.986 168 E CA 0.014 56.366 56.400 -0.080 0.000 0.974 168 E CB 0.402 30.064 29.700 -0.064 0.000 1.030 168 E HN 0.150 nan 8.360 nan 0.000 0.490 169 V N 1.836 121.654 119.914 -0.160 0.000 2.546 169 V HA -0.222 3.901 4.120 0.006 0.000 0.254 169 V C 1.442 177.361 176.094 -0.291 0.000 1.076 169 V CA 1.720 63.868 62.300 -0.254 0.000 1.087 169 V CB -0.659 30.936 31.823 -0.379 0.000 0.674 169 V HN 0.465 nan 8.190 nan 0.000 0.470 170 H N -1.136 117.916 119.070 -0.029 0.000 2.529 170 H HA 0.427 4.986 4.556 0.006 0.000 0.277 170 H C 1.214 176.526 175.328 -0.028 0.000 1.004 170 H CA 0.820 56.853 56.048 -0.026 0.000 1.167 170 H CB 0.587 30.333 29.762 -0.027 0.000 1.445 170 H HN 0.506 nan 8.280 nan 0.000 0.554 171 G N 1.455 110.282 108.800 0.045 0.000 2.713 171 G HA2 -0.281 3.682 3.960 0.006 0.000 0.215 171 G HA3 -0.281 3.682 3.960 0.006 0.000 0.215 171 G C 0.242 175.134 174.900 -0.014 0.000 1.265 171 G CA -0.337 44.773 45.100 0.016 0.000 1.204 171 G HN 0.274 nan 8.290 nan 0.000 0.545 172 N N 2.730 121.418 118.700 -0.020 0.000 2.931 172 N HA 0.336 5.079 4.740 0.006 0.000 0.316 172 N C 0.547 176.012 175.510 -0.076 0.000 1.303 172 N CA 1.577 54.596 53.050 -0.052 0.000 1.119 172 N CB -0.715 37.746 38.487 -0.043 0.000 1.408 172 N HN 0.996 nan 8.380 nan 0.000 0.575 173 G N -0.958 107.789 108.800 -0.087 0.000 3.013 173 G HA2 0.722 4.686 3.960 0.006 0.000 0.278 173 G HA3 0.722 4.686 3.960 0.006 0.000 0.278 173 G C -1.151 173.646 174.900 -0.173 0.000 1.353 173 G CA -0.679 44.353 45.100 -0.114 0.000 1.043 173 G HN 0.202 nan 8.290 nan 0.000 0.523 174 L N 0.462 121.560 121.223 -0.208 0.000 2.365 174 L HA 0.433 4.776 4.340 0.006 0.000 0.273 174 L C 0.264 177.061 176.870 -0.121 0.000 1.000 174 L CA -0.797 53.875 54.840 -0.280 0.000 0.819 174 L CB 2.236 43.892 42.059 -0.671 0.000 1.284 174 L HN 0.424 nan 8.230 nan 0.000 0.418 175 S N 0.078 115.830 115.700 0.088 0.000 2.579 175 S HA 0.021 4.494 4.470 0.006 0.000 0.275 175 S C 1.252 175.892 174.600 0.067 0.000 1.345 175 S CA -0.157 58.122 58.200 0.130 0.000 1.031 175 S CB 1.379 64.768 63.200 0.316 0.000 0.892 175 S HN 0.842 nan 8.310 nan 0.000 0.529 176 S N 0.999 116.579 115.700 -0.198 0.000 2.382 176 S HA -0.052 4.422 4.470 0.006 0.000 0.228 176 S C 0.140 174.366 174.600 -0.623 0.000 1.027 176 S CA 0.843 58.691 58.200 -0.587 0.000 0.991 176 S CB -0.489 62.171 63.200 -0.899 0.000 0.823 176 S HN 0.739 nan 8.310 nan 0.000 0.469 177 Y N 0.252 120.502 120.300 -0.083 0.000 2.705 177 Y HA 0.537 5.091 4.550 0.005 0.000 0.332 177 Y C -2.980 172.285 175.900 -1.058 0.000 1.157 177 Y CA -3.211 54.597 58.100 -0.486 0.000 1.091 177 Y CB 0.591 38.789 38.460 -0.437 0.000 1.301 177 Y HN -0.196 nan 8.280 nan 0.000 0.488 178 P HA 0.054 nan 4.420 nan 0.000 0.263 178 P C -1.220 175.609 177.300 -0.785 0.000 1.276 178 P CA 0.723 62.823 63.100 -1.665 0.000 0.986 178 P CB -0.132 30.889 31.700 -1.132 0.000 1.105 179 H N 4.529 123.489 119.070 -0.183 0.000 2.866 179 H HA 0.197 4.756 4.556 0.006 0.000 0.287 179 H C -1.883 173.554 175.328 0.182 0.000 1.106 179 H CA -2.070 54.014 56.048 0.059 0.000 1.396 179 H CB 1.306 31.117 29.762 0.080 0.000 1.469 179 H HN 0.213 nan 8.280 nan 0.000 0.500 180 P HA -0.199 nan 4.420 nan 0.000 0.216 180 P C 1.804 179.199 177.300 0.159 0.000 1.150 180 P CA 1.281 64.502 63.100 0.201 0.000 0.843 180 P CB 0.651 32.409 31.700 0.096 0.000 0.787 181 K N 0.109 120.585 120.400 0.127 0.000 2.103 181 K HA -0.114 4.209 4.320 0.006 0.000 0.207 181 K C 1.838 178.487 176.600 0.080 0.000 1.048 181 K CA 1.499 57.829 56.287 0.071 0.000 0.930 181 K CB -1.051 31.453 32.500 0.007 0.000 0.716 181 K HN 0.104 nan 8.250 nan 0.000 0.444 182 L N -0.906 120.396 121.223 0.132 0.000 2.249 182 L HA 0.183 4.526 4.340 0.006 0.000 0.207 182 L C 0.920 177.880 176.870 0.150 0.000 1.090 182 L CA 0.425 55.340 54.840 0.126 0.000 0.802 182 L CB -0.012 42.139 42.059 0.154 0.000 0.947 182 L HN 0.112 nan 8.230 nan 0.000 0.453 183 M N 0.858 120.597 119.600 0.232 0.000 2.389 183 M HA 0.225 4.709 4.480 0.006 0.000 0.206 183 M C -1.829 174.594 176.300 0.204 0.000 0.976 183 M CA -1.319 54.113 55.300 0.220 0.000 0.648 183 M CB 1.597 34.399 32.600 0.336 0.000 1.474 183 M HN -0.231 nan 8.290 nan 0.000 0.398 184 P HA -0.167 nan 4.420 nan 0.000 0.222 184 P C 0.239 177.582 177.300 0.072 0.000 1.142 184 P CA 1.466 64.622 63.100 0.093 0.000 0.788 184 P CB 0.218 31.958 31.700 0.067 0.000 0.767 185 E N -3.250 117.000 120.200 0.084 0.000 2.526 185 E HA 0.132 4.486 4.350 0.006 0.000 0.208 185 E C 0.858 177.505 176.600 0.077 0.000 0.997 185 E CA -0.210 56.226 56.400 0.061 0.000 0.961 185 E CB 0.111 29.843 29.700 0.054 0.000 1.030 185 E HN 0.242 nan 8.360 nan 0.000 0.483 186 F N -0.165 119.723 119.950 -0.105 0.000 2.444 186 F HA 0.246 4.777 4.527 0.006 0.000 0.263 186 F C 0.014 175.658 175.800 -0.260 0.000 0.912 186 F CA -0.169 57.678 58.000 -0.254 0.000 1.122 186 F CB 0.242 39.001 39.000 -0.402 0.000 1.246 186 F HN -0.142 nan 8.300 nan 0.000 0.752 187 W N 1.969 123.343 121.300 0.125 0.000 2.161 187 W HA 0.324 4.987 4.660 0.006 0.000 0.344 187 W C 1.069 177.471 176.519 -0.195 0.000 1.262 187 W CA -0.159 57.160 57.345 -0.044 0.000 1.270 187 W CB 0.684 30.194 29.460 0.084 0.000 1.126 187 W HN 0.142 nan 8.180 nan 0.000 0.598 188 Q N 0.412 120.179 119.800 -0.055 0.000 2.527 188 Q HA 0.182 4.525 4.340 0.006 0.000 0.252 188 Q C -0.553 174.958 176.000 -0.816 0.000 0.827 188 Q CA 0.255 55.684 55.803 -0.623 0.000 0.979 188 Q CB 0.725 28.748 28.738 -1.191 0.000 1.248 188 Q HN 0.373 nan 8.270 nan 0.000 0.578 189 F N 2.635 122.557 119.950 -0.046 0.000 2.460 189 F HA 0.398 4.928 4.527 0.006 0.000 0.341 189 F C -2.322 173.455 175.800 -0.039 0.000 1.130 189 F CA -2.659 55.258 58.000 -0.140 0.000 0.962 189 F CB 1.484 40.117 39.000 -0.613 0.000 1.171 189 F HN -0.152 nan 8.300 nan 0.000 0.436 190 P HA 0.080 nan 4.420 nan 0.000 0.269 190 P C 0.469 177.860 177.300 0.152 0.000 1.252 190 P CA -0.020 63.154 63.100 0.122 0.000 0.780 190 P CB 0.948 32.771 31.700 0.205 0.000 0.829 191 T N -1.762 112.829 114.554 0.063 0.000 3.003 191 T HA 0.044 4.397 4.350 0.006 0.000 0.261 191 T C 1.410 176.110 174.700 -0.000 0.000 1.003 191 T CA 0.118 62.271 62.100 0.090 0.000 0.917 191 T CB -0.598 68.353 68.868 0.139 0.000 1.084 191 T HN 0.037 nan 8.240 nan 0.000 0.522 192 V N 1.082 120.934 119.914 -0.103 0.000 2.469 192 V HA -0.041 4.082 4.120 0.006 0.000 0.251 192 V C 1.765 177.794 176.094 -0.108 0.000 1.064 192 V CA 1.256 63.420 62.300 -0.227 0.000 1.066 192 V CB -1.192 30.314 31.823 -0.527 0.000 0.667 192 V HN 0.535 nan 8.190 nan 0.000 0.461 193 S N 1.210 116.911 115.700 0.001 0.000 2.498 193 S HA 0.376 4.850 4.470 0.006 0.000 0.314 193 S C 0.183 174.799 174.600 0.027 0.000 1.141 193 S CA -0.401 57.816 58.200 0.027 0.000 1.087 193 S CB -0.663 62.589 63.200 0.086 0.000 1.178 193 S HN 0.397 nan 8.310 nan 0.000 0.533 194 M N 3.900 123.503 119.600 0.004 0.000 2.246 194 M HA 0.195 4.679 4.480 0.006 0.000 0.327 194 M C 1.685 177.996 176.300 0.018 0.000 1.090 194 M CA 1.552 56.859 55.300 0.012 0.000 1.087 194 M CB 0.057 32.661 32.600 0.006 0.000 1.587 194 M HN 0.924 nan 8.290 nan 0.000 0.444 195 G N 1.019 109.826 108.800 0.013 0.000 2.299 195 G HA2 -0.251 3.713 3.960 0.006 0.000 0.237 195 G HA3 -0.251 3.713 3.960 0.006 0.000 0.237 195 G C 0.439 175.356 174.900 0.028 0.000 1.027 195 G CA 0.163 45.272 45.100 0.014 0.000 0.619 195 G HN 0.562 nan 8.290 nan 0.000 0.513 196 L N 1.789 123.040 121.223 0.046 0.000 2.131 196 L HA 0.331 4.674 4.340 0.006 0.000 0.206 196 L C 3.001 179.915 176.870 0.074 0.000 1.087 196 L CA 2.652 57.535 54.840 0.071 0.000 0.767 196 L CB -1.142 40.978 42.059 0.102 0.000 0.917 196 L HN 0.376 nan 8.230 nan 0.000 0.441 197 G N 0.580 109.422 108.800 0.069 0.000 2.446 197 G HA2 -0.202 3.761 3.960 0.006 0.000 0.217 197 G HA3 -0.202 3.761 3.960 0.006 0.000 0.217 197 G C -0.616 174.188 174.900 -0.160 0.000 1.168 197 G CA 0.874 46.005 45.100 0.053 0.000 0.771 197 G HN 0.338 nan 8.290 nan 0.000 0.551 198 P HA -0.091 nan 4.420 nan 0.000 0.215 198 P C 1.994 179.359 177.300 0.107 0.000 1.157 198 P CA 1.283 64.257 63.100 -0.209 0.000 0.868 198 P CB -0.251 31.309 31.700 -0.233 0.000 0.788 199 I N -0.855 119.789 120.570 0.123 0.000 2.252 199 I HA -0.066 4.107 4.170 0.006 0.000 0.245 199 I C 2.749 178.996 176.117 0.216 0.000 1.102 199 I CA 1.853 63.286 61.300 0.221 0.000 1.385 199 I CB -2.009 36.095 38.000 0.174 0.000 1.064 199 I HN -0.099 nan 8.210 nan 0.000 0.414 200 G N 0.858 109.703 108.800 0.074 0.000 2.440 200 G HA2 -0.219 3.744 3.960 0.006 0.000 0.218 200 G HA3 -0.219 3.744 3.960 0.006 0.000 0.218 200 G C 1.873 176.689 174.900 -0.140 0.000 1.154 200 G CA 1.028 46.155 45.100 0.046 0.000 0.767 200 G HN 0.541 nan 8.290 nan 0.000 0.552 201 A N 0.695 123.212 122.820 -0.506 0.000 1.902 201 A HA 0.060 4.383 4.320 0.006 0.000 0.217 201 A C 2.412 179.904 177.584 -0.154 0.000 1.181 201 A CA 1.294 52.932 52.037 -0.665 0.000 0.623 201 A CB -0.381 18.195 19.000 -0.706 0.000 0.818 201 A HN 0.370 nan 8.150 nan 0.000 0.443 202 I N -1.917 118.662 120.570 0.015 0.000 2.163 202 I HA -0.315 3.859 4.170 0.006 0.000 0.243 202 I C 2.277 178.261 176.117 -0.221 0.000 1.085 202 I CA 1.638 62.889 61.300 -0.083 0.000 1.347 202 I CB -0.368 37.579 38.000 -0.088 0.000 1.044 202 I HN 0.425 nan 8.210 nan 0.000 0.408 203 Y N -0.027 120.274 120.300 0.002 0.000 2.457 203 Y HA -0.209 4.344 4.550 0.006 0.000 0.292 203 Y C 2.593 178.524 175.900 0.051 0.000 1.125 203 Y CA 0.974 59.087 58.100 0.022 0.000 1.254 203 Y CB -0.215 38.248 38.460 0.005 0.000 1.012 203 Y HN 0.209 nan 8.280 nan 0.000 0.555 204 Q N 0.547 120.417 119.800 0.116 0.000 2.083 204 Q HA -0.075 4.269 4.340 0.006 0.000 0.198 204 Q C 2.284 178.356 176.000 0.121 0.000 0.969 204 Q CA 1.595 57.476 55.803 0.130 0.000 0.838 204 Q CB -0.364 28.425 28.738 0.085 0.000 0.900 204 Q HN 0.338 nan 8.270 nan 0.000 0.436 205 A N 0.716 123.549 122.820 0.020 0.000 1.902 205 A HA -0.188 4.136 4.320 0.006 0.000 0.217 205 A C 2.081 179.667 177.584 0.004 0.000 1.181 205 A CA 1.716 53.742 52.037 -0.019 0.000 0.623 205 A CB -0.610 18.328 19.000 -0.103 0.000 0.818 205 A HN 0.405 nan 8.150 nan 0.000 0.443 206 K N -1.752 118.648 120.400 0.001 0.000 2.097 206 K HA -0.136 4.188 4.320 0.006 0.000 0.206 206 K C 1.705 178.387 176.600 0.136 0.000 1.049 206 K CA 1.482 57.800 56.287 0.051 0.000 0.933 206 K CB -0.284 32.214 32.500 -0.003 0.000 0.717 206 K HN 0.404 nan 8.250 nan 0.000 0.442 207 F N 1.330 121.295 119.950 0.025 0.000 2.234 207 F HA -0.072 4.458 4.527 0.006 0.000 0.299 207 F C 1.561 177.412 175.800 0.086 0.000 1.087 207 F CA 1.036 59.054 58.000 0.030 0.000 1.340 207 F CB 0.027 39.036 39.000 0.016 0.000 1.031 207 F HN -0.040 nan 8.300 nan 0.000 0.500 208 L N -0.205 121.060 121.223 0.070 0.000 2.093 208 L HA -0.212 4.131 4.340 0.006 0.000 0.208 208 L C 2.527 179.331 176.870 -0.110 0.000 1.085 208 L CA 1.060 55.886 54.840 -0.023 0.000 0.755 208 L CB -0.658 41.416 42.059 0.024 0.000 0.904 208 L HN -0.011 nan 8.230 nan 0.000 0.435 209 K N -0.302 120.059 120.400 -0.066 0.000 2.026 209 K HA -0.233 4.090 4.320 0.006 0.000 0.208 209 K C 2.032 178.577 176.600 -0.091 0.000 1.048 209 K CA 1.566 57.790 56.287 -0.105 0.000 0.929 209 K CB -0.723 31.810 32.500 0.054 0.000 0.713 209 K HN 0.260 nan 8.250 nan 0.000 0.439 210 Y N 1.931 122.093 120.300 -0.231 0.000 2.128 210 Y HA -0.207 4.346 4.550 0.006 0.000 0.284 210 Y C 2.065 177.697 175.900 -0.447 0.000 1.154 210 Y CA 1.452 59.240 58.100 -0.521 0.000 1.149 210 Y CB -0.401 37.534 38.460 -0.874 0.000 0.976 210 Y HN -0.064 nan 8.280 nan 0.000 0.505 211 L N 0.129 121.066 121.223 -0.477 0.000 2.083 211 L HA -0.211 4.132 4.340 0.006 0.000 0.209 211 L C 2.593 179.277 176.870 -0.310 0.000 1.083 211 L CA 1.964 56.537 54.840 -0.446 0.000 0.752 211 L CB -0.570 41.300 42.059 -0.314 0.000 0.899 211 L HN 0.367 nan 8.230 nan 0.000 0.433 212 E N -0.342 119.701 120.200 -0.262 0.000 2.046 212 E HA -0.221 4.132 4.350 0.006 0.000 0.190 212 E C 2.059 178.555 176.600 -0.173 0.000 0.982 212 E CA 1.140 57.407 56.400 -0.221 0.000 0.800 212 E CB -0.036 29.506 29.700 -0.265 0.000 0.756 212 E HN 0.561 nan 8.360 nan 0.000 0.449 213 H N -0.561 118.446 119.070 -0.105 0.000 2.387 213 H HA 0.036 4.595 4.556 0.006 0.000 0.299 213 H C 1.810 177.067 175.328 -0.117 0.000 1.090 213 H CA 0.906 56.927 56.048 -0.045 0.000 1.332 213 H CB 0.292 30.134 29.762 0.134 0.000 1.386 213 H HN -0.028 nan 8.280 nan 0.000 0.516 214 R N 0.140 120.542 120.500 -0.162 0.000 2.323 214 R HA 0.041 4.384 4.340 0.006 0.000 0.198 214 R C 1.026 177.226 176.300 -0.166 0.000 0.988 214 R CA 0.728 56.677 56.100 -0.251 0.000 1.041 214 R CB 0.005 29.964 30.300 -0.569 0.000 0.926 214 R HN 0.534 nan 8.270 nan 0.000 0.476 215 G N 1.173 109.895 108.800 -0.130 0.000 2.160 215 G HA2 -0.265 3.698 3.960 0.006 0.000 0.251 215 G HA3 -0.265 3.698 3.960 0.006 0.000 0.251 215 G C 0.692 175.531 174.900 -0.102 0.000 1.008 215 G CA 0.356 45.400 45.100 -0.093 0.000 0.724 215 G HN 0.342 nan 8.290 nan 0.000 0.514 216 L N -1.226 119.911 121.223 -0.142 0.000 2.202 216 L HA 0.407 4.750 4.340 0.006 0.000 0.205 216 L C 1.251 178.070 176.870 -0.086 0.000 1.083 216 L CA 1.353 56.123 54.840 -0.117 0.000 0.790 216 L CB 0.253 42.219 42.059 -0.154 0.000 0.942 216 L HN 0.283 nan 8.230 nan 0.000 0.452 217 K N -0.236 120.104 120.400 -0.100 0.000 2.569 217 K HA 0.090 4.414 4.320 0.006 0.000 0.259 217 K C -1.677 174.876 176.600 -0.079 0.000 0.932 217 K CA -0.648 55.597 56.287 -0.069 0.000 0.833 217 K CB 1.818 34.290 32.500 -0.047 0.000 1.340 217 K HN -0.270 nan 8.250 nan 0.000 0.429 218 D N 2.796 123.162 120.400 -0.058 0.000 2.402 218 D HA 0.049 4.693 4.640 0.006 0.000 0.235 218 D C 0.370 176.640 176.300 -0.051 0.000 1.226 218 D CA 0.083 54.048 54.000 -0.059 0.000 0.918 218 D CB 0.916 41.690 40.800 -0.042 0.000 1.043 218 D HN 0.557 nan 8.370 nan 0.000 0.506 219 T N -0.570 113.945 114.554 -0.066 0.000 3.145 219 T HA 0.007 4.360 4.350 0.006 0.000 0.255 219 T C 1.675 176.347 174.700 -0.047 0.000 1.039 219 T CA 0.207 62.280 62.100 -0.046 0.000 0.928 219 T CB -0.185 68.653 68.868 -0.049 0.000 1.029 219 T HN 0.201 nan 8.240 nan 0.000 0.554 220 S N 1.920 117.586 115.700 -0.056 0.000 2.419 220 S HA -0.081 4.392 4.470 0.006 0.000 0.235 220 S C 1.650 176.235 174.600 -0.025 0.000 1.019 220 S CA 0.610 58.778 58.200 -0.052 0.000 0.982 220 S CB -0.460 62.709 63.200 -0.052 0.000 0.789 220 S HN 0.555 nan 8.310 nan 0.000 0.490 221 K N 0.985 121.381 120.400 -0.008 0.000 2.417 221 K HA 0.239 4.563 4.320 0.006 0.000 0.196 221 K C 0.275 176.898 176.600 0.038 0.000 1.023 221 K CA 0.052 56.351 56.287 0.019 0.000 1.122 221 K CB 0.233 32.748 32.500 0.025 0.000 0.850 221 K HN 0.561 nan 8.250 nan 0.000 0.521 222 Q N 0.094 119.908 119.800 0.023 0.000 2.245 222 Q HA 0.283 4.626 4.340 0.006 0.000 0.256 222 Q C -0.748 175.260 176.000 0.013 0.000 0.942 222 Q CA -0.337 55.492 55.803 0.043 0.000 0.896 222 Q CB 2.184 30.948 28.738 0.043 0.000 1.272 222 Q HN -0.094 nan 8.270 nan 0.000 0.442 223 T N 0.992 115.560 114.554 0.023 0.000 2.861 223 T HA 0.391 4.744 4.350 0.006 0.000 0.287 223 T C -0.744 173.883 174.700 -0.123 0.000 1.003 223 T CA -0.555 61.473 62.100 -0.120 0.000 0.977 223 T CB 1.402 70.130 68.868 -0.234 0.000 0.996 223 T HN 0.249 nan 8.240 nan 0.000 0.448 224 V N 4.001 123.810 119.914 -0.175 0.000 2.350 224 V HA 0.375 4.498 4.120 0.006 0.000 0.276 224 V C -1.091 174.936 176.094 -0.111 0.000 1.028 224 V CA -0.674 61.599 62.300 -0.046 0.000 0.860 224 V CB 0.108 31.916 31.823 -0.025 0.000 0.990 224 V HN 0.805 nan 8.190 nan 0.000 0.453 225 Y N 2.921 123.317 120.300 0.160 0.000 2.331 225 Y HA 0.667 5.220 4.550 0.006 0.000 0.338 225 Y C 0.468 176.468 175.900 0.166 0.000 0.976 225 Y CA -0.579 57.620 58.100 0.164 0.000 1.137 225 Y CB 1.790 40.452 38.460 0.338 0.000 1.172 225 Y HN 0.656 nan 8.280 nan 0.000 0.478 226 A N 4.692 127.604 122.820 0.152 0.000 2.256 226 A HA 0.606 4.929 4.320 0.006 0.000 0.317 226 A C -1.387 176.123 177.584 -0.124 0.000 1.318 226 A CA -0.487 51.539 52.037 -0.017 0.000 0.894 226 A CB -0.243 18.547 19.000 -0.350 0.000 1.165 226 A HN 0.642 nan 8.150 nan 0.000 0.525 227 F N 3.341 123.302 119.950 0.019 0.000 2.375 227 F HA 0.465 4.995 4.527 0.005 0.000 0.362 227 F C 0.190 175.975 175.800 -0.025 0.000 1.129 227 F CA 0.020 58.028 58.000 0.013 0.000 1.154 227 F CB 0.802 39.878 39.000 0.126 0.000 1.205 227 F HN 0.402 nan 8.300 nan 0.000 0.513 228 L N 2.160 123.362 121.223 -0.036 0.000 2.304 228 L HA 0.853 5.197 4.340 0.006 0.000 0.268 228 L C 0.601 177.469 176.870 -0.003 0.000 1.010 228 L CA -1.209 53.594 54.840 -0.061 0.000 0.813 228 L CB 1.344 43.266 42.059 -0.228 0.000 1.315 228 L HN 0.547 nan 8.230 nan 0.000 0.445 229 G N -0.866 107.948 108.800 0.024 0.000 2.434 229 G HA2 0.354 4.318 3.960 0.006 0.000 0.330 229 G HA3 0.354 4.318 3.960 0.006 0.000 0.330 229 G C -0.004 174.903 174.900 0.011 0.000 1.155 229 G CA -0.300 44.834 45.100 0.057 0.000 0.917 229 G HN 0.779 nan 8.290 nan 0.000 0.493 230 D N 0.262 120.670 120.400 0.013 0.000 2.194 230 D HA -0.048 4.596 4.640 0.006 0.000 0.204 230 D C 2.151 178.459 176.300 0.014 0.000 0.964 230 D CA 1.081 55.078 54.000 -0.004 0.000 0.846 230 D CB -0.727 40.069 40.800 -0.007 0.000 0.962 230 D HN 0.481 nan 8.370 nan 0.000 0.490 231 G N 0.727 109.546 108.800 0.031 0.000 2.418 231 G HA2 -0.324 3.639 3.960 0.006 0.000 0.217 231 G HA3 -0.324 3.639 3.960 0.006 0.000 0.217 231 G C 1.449 176.362 174.900 0.022 0.000 1.158 231 G CA 0.751 45.869 45.100 0.029 0.000 0.771 231 G HN 0.484 nan 8.290 nan 0.000 0.545 232 E N -0.157 120.058 120.200 0.024 0.000 2.209 232 E HA -0.153 4.200 4.350 0.006 0.000 0.196 232 E C 2.162 178.766 176.600 0.006 0.000 0.993 232 E CA 0.801 57.210 56.400 0.015 0.000 0.819 232 E CB -0.137 29.575 29.700 0.019 0.000 0.745 232 E HN 0.263 nan 8.360 nan 0.000 0.477 233 M N 0.961 120.566 119.600 0.007 0.000 2.539 233 M HA -0.084 4.399 4.480 0.006 0.000 0.261 233 M C 0.863 177.175 176.300 0.021 0.000 1.069 233 M CA 1.028 56.342 55.300 0.022 0.000 1.081 233 M CB -0.618 32.007 32.600 0.040 0.000 1.412 233 M HN 0.057 nan 8.290 nan 0.000 0.482 234 D N 0.360 120.768 120.400 0.014 0.000 2.277 234 D HA -0.035 4.608 4.640 0.006 0.000 0.208 234 D C 0.439 176.742 176.300 0.005 0.000 0.962 234 D CA 0.523 54.528 54.000 0.008 0.000 0.865 234 D CB 0.196 41.001 40.800 0.009 0.000 0.939 234 D HN 0.236 nan 8.370 nan 0.000 0.510 235 E N 0.806 121.010 120.200 0.007 0.000 2.417 235 E HA -0.011 4.342 4.350 0.006 0.000 0.261 235 E C -1.602 175.001 176.600 0.004 0.000 1.000 235 E CA -1.227 55.177 56.400 0.006 0.000 0.919 235 E CB 0.811 30.517 29.700 0.009 0.000 0.955 235 E HN 0.115 nan 8.360 nan 0.000 0.455 236 P HA -0.171 nan 4.420 nan 0.000 0.217 236 P C 0.635 177.937 177.300 0.002 0.000 1.148 236 P CA 1.234 64.331 63.100 -0.006 0.000 0.828 236 P CB 0.349 32.044 31.700 -0.009 0.000 0.783 237 E N -1.013 119.195 120.200 0.013 0.000 2.268 237 E HA -0.080 4.273 4.350 0.006 0.000 0.195 237 E C 2.013 178.643 176.600 0.051 0.000 0.995 237 E CA 0.915 57.333 56.400 0.030 0.000 0.836 237 E CB -0.708 29.010 29.700 0.030 0.000 0.763 237 E HN 0.200 nan 8.360 nan 0.000 0.491 238 S N 0.414 116.137 115.700 0.038 0.000 2.355 238 S HA -0.064 4.410 4.470 0.006 0.000 0.222 238 S C 1.440 176.101 174.600 0.102 0.000 1.031 238 S CA 1.150 59.386 58.200 0.059 0.000 0.993 238 S CB 0.032 63.251 63.200 0.031 0.000 0.859 238 S HN 0.196 nan 8.310 nan 0.000 0.453 239 K N 0.150 120.557 120.400 0.012 0.000 2.402 239 K HA 0.226 4.549 4.320 0.006 0.000 0.204 239 K C 1.849 178.374 176.600 -0.124 0.000 1.056 239 K CA 0.302 56.516 56.287 -0.122 0.000 1.069 239 K CB 0.339 32.716 32.500 -0.206 0.000 0.888 239 K HN 0.302 nan 8.250 nan 0.000 0.546 240 G N 1.315 110.091 108.800 -0.041 0.000 2.498 240 G HA2 -0.190 3.773 3.960 0.006 0.000 0.219 240 G HA3 -0.190 3.773 3.960 0.006 0.000 0.219 240 G C 1.160 176.058 174.900 -0.004 0.000 1.119 240 G CA 0.964 46.047 45.100 -0.029 0.000 0.766 240 G HN 0.306 nan 8.290 nan 0.000 0.552 241 A N 0.194 123.033 122.820 0.031 0.000 2.571 241 A HA 0.407 4.730 4.320 0.006 0.000 0.274 241 A C 1.877 179.488 177.584 0.046 0.000 1.196 241 A CA 0.218 52.300 52.037 0.076 0.000 0.957 241 A CB -0.079 19.047 19.000 0.209 0.000 1.150 241 A HN 0.487 nan 8.150 nan 0.000 0.539 242 I N -1.570 118.984 120.570 -0.028 0.000 2.423 242 I HA -0.167 4.006 4.170 0.006 0.000 0.254 242 I C 2.067 178.314 176.117 0.217 0.000 1.151 242 I CA 2.006 63.324 61.300 0.029 0.000 1.421 242 I CB -0.950 36.704 38.000 -0.576 0.000 1.079 242 I HN 0.235 nan 8.210 nan 0.000 0.431 243 T N -0.523 114.060 114.554 0.049 0.000 2.962 243 T HA 0.008 4.362 4.350 0.006 0.000 0.270 243 T C 1.778 176.486 174.700 0.013 0.000 1.088 243 T CA 0.741 62.872 62.100 0.052 0.000 1.127 243 T CB -0.439 68.426 68.868 -0.005 0.000 0.883 243 T HN 0.338 nan 8.240 nan 0.000 0.493 244 I N 1.744 122.307 120.570 -0.012 0.000 2.928 244 I HA 0.167 4.341 4.170 0.006 0.000 0.266 244 I C 2.842 178.870 176.117 -0.148 0.000 1.234 244 I CA 0.494 61.749 61.300 -0.075 0.000 1.483 244 I CB -1.612 36.329 38.000 -0.098 0.000 1.097 244 I HN 0.390 nan 8.210 nan 0.000 0.455 245 A N 0.382 123.104 122.820 -0.162 0.000 2.014 245 A HA -0.106 4.217 4.320 0.006 0.000 0.218 245 A C 2.387 179.731 177.584 -0.399 0.000 1.163 245 A CA 1.770 53.589 52.037 -0.363 0.000 0.652 245 A CB -0.620 18.012 19.000 -0.614 0.000 0.808 245 A HN 0.354 nan 8.150 nan 0.000 0.449 246 T N -0.767 113.628 114.554 -0.266 0.000 2.894 246 T HA -0.022 4.331 4.350 0.006 0.000 0.258 246 T C 2.068 176.680 174.700 -0.147 0.000 1.043 246 T CA 0.934 62.905 62.100 -0.214 0.000 1.141 246 T CB -0.156 68.657 68.868 -0.092 0.000 0.873 246 T HN 0.459 nan 8.240 nan 0.000 0.449 247 R N 1.199 121.634 120.500 -0.109 0.000 2.091 247 R HA -0.056 4.287 4.340 0.006 0.000 0.238 247 R C 1.774 178.011 176.300 -0.105 0.000 1.136 247 R CA 1.116 57.163 56.100 -0.089 0.000 0.959 247 R CB -0.095 30.165 30.300 -0.066 0.000 0.856 247 R HN 0.359 nan 8.270 nan 0.000 0.437 248 E N 0.642 120.768 120.200 -0.123 0.000 2.463 248 E HA 0.023 4.377 4.350 0.006 0.000 0.193 248 E C -0.336 176.193 176.600 -0.119 0.000 1.041 248 E CA -0.009 56.327 56.400 -0.106 0.000 0.879 248 E CB 0.350 29.998 29.700 -0.086 0.000 0.997 248 E HN 0.213 nan 8.360 nan 0.000 0.478 249 K N 1.007 121.310 120.400 -0.162 0.000 3.490 249 K HA -0.180 4.143 4.320 0.006 0.000 0.273 249 K C -0.440 176.040 176.600 -0.200 0.000 0.916 249 K CA 0.070 56.251 56.287 -0.178 0.000 0.718 249 K CB -1.115 31.314 32.500 -0.118 0.000 1.477 249 K HN -0.005 nan 8.250 nan 0.000 0.452 250 L N 2.377 123.429 121.223 -0.285 0.000 2.376 250 L HA 0.029 4.373 4.340 0.006 0.000 0.250 250 L C 0.912 177.586 176.870 -0.326 0.000 1.335 250 L CA 0.557 55.225 54.840 -0.288 0.000 1.214 250 L CB -0.314 41.540 42.059 -0.341 0.000 1.395 250 L HN 0.260 nan 8.230 nan 0.000 0.424 251 D N -1.180 119.074 120.400 -0.243 0.000 2.323 251 D HA -0.103 4.541 4.640 0.006 0.000 0.239 251 D C 0.869 177.051 176.300 -0.197 0.000 1.129 251 D CA 0.221 54.085 54.000 -0.226 0.000 0.865 251 D CB -0.507 40.192 40.800 -0.167 0.000 0.913 251 D HN 0.638 nan 8.370 nan 0.000 0.517 252 N N -0.590 117.990 118.700 -0.200 0.000 2.204 252 N HA 0.117 4.861 4.740 0.006 0.000 0.219 252 N C -0.331 175.050 175.510 -0.215 0.000 1.151 252 N CA -0.638 52.308 53.050 -0.174 0.000 0.867 252 N CB 0.346 38.759 38.487 -0.124 0.000 1.043 252 N HN 0.055 nan 8.380 nan 0.000 0.516 253 L N 1.034 122.097 121.223 -0.267 0.000 2.362 253 L HA 0.597 4.940 4.340 0.006 0.000 0.275 253 L C -1.478 175.234 176.870 -0.264 0.000 0.998 253 L CA -0.845 53.838 54.840 -0.261 0.000 0.820 253 L CB 2.126 44.008 42.059 -0.296 0.000 1.270 253 L HN -0.120 nan 8.230 nan 0.000 0.415 254 V N 5.547 125.357 119.914 -0.174 0.000 2.482 254 V HA 0.427 4.550 4.120 0.006 0.000 0.295 254 V C -0.786 175.407 176.094 0.166 0.000 1.026 254 V CA -0.422 61.827 62.300 -0.084 0.000 0.856 254 V CB 1.346 33.053 31.823 -0.193 0.000 1.001 254 V HN 0.502 nan 8.190 nan 0.000 0.424 255 F N 4.106 124.042 119.950 -0.025 0.000 2.411 255 F HA 0.530 5.061 4.527 0.006 0.000 0.355 255 F C 0.283 175.907 175.800 -0.293 0.000 1.117 255 F CA -0.939 56.996 58.000 -0.109 0.000 1.139 255 F CB 1.783 40.726 39.000 -0.096 0.000 1.120 255 F HN 0.182 nan 8.300 nan 0.000 0.493 256 V N 6.767 126.508 119.914 -0.287 0.000 2.284 256 V HA 0.321 4.445 4.120 0.006 0.000 0.274 256 V C 0.124 176.002 176.094 -0.360 0.000 1.023 256 V CA -0.607 61.429 62.300 -0.440 0.000 0.808 256 V CB 0.848 32.224 31.823 -0.745 0.000 1.035 256 V HN 0.440 nan 8.190 nan 0.000 0.445 257 I N 3.864 124.261 120.570 -0.289 0.000 2.325 257 I HA 0.296 4.470 4.170 0.006 0.000 0.291 257 I C 0.489 176.512 176.117 -0.158 0.000 1.019 257 I CA -0.285 60.885 61.300 -0.216 0.000 1.302 257 I CB 0.950 38.807 38.000 -0.237 0.000 1.401 257 I HN 0.443 nan 8.210 nan 0.000 0.485 258 N N 6.337 124.989 118.700 -0.080 0.000 2.399 258 N HA 0.093 4.836 4.740 0.006 0.000 0.259 258 N C -0.844 174.638 175.510 -0.046 0.000 1.160 258 N CA -0.252 52.769 53.050 -0.048 0.000 0.946 258 N CB 0.452 38.957 38.487 0.030 0.000 1.156 258 N HN 0.555 nan 8.380 nan 0.000 0.489 259 C N 4.235 123.491 119.300 -0.074 0.000 2.379 259 C HA 0.211 4.674 4.460 0.006 0.000 0.476 259 C C 1.247 176.246 174.990 0.016 0.000 1.068 259 C CA -0.906 58.087 59.018 -0.040 0.000 1.406 259 C CB -1.869 25.817 27.740 -0.090 0.000 1.496 259 C HN 0.703 nan 8.230 nan 0.000 0.551 260 N N 1.041 119.754 118.700 0.022 0.000 2.322 260 N HA 0.076 4.819 4.740 0.006 0.000 0.194 260 N C 0.846 176.397 175.510 0.068 0.000 1.126 260 N CA -0.140 52.930 53.050 0.034 0.000 0.845 260 N CB -0.453 38.068 38.487 0.056 0.000 0.976 260 N HN 0.657 nan 8.380 nan 0.000 0.475 261 L N -3.287 117.978 121.223 0.070 0.000 5.051 261 L HA -0.313 4.030 4.340 0.006 0.000 0.432 261 L C -0.280 176.632 176.870 0.069 0.000 1.055 261 L CA 0.883 55.769 54.840 0.076 0.000 1.095 261 L CB -2.054 40.071 42.059 0.110 0.000 1.957 261 L HN 0.341 nan 8.230 nan 0.000 0.727 262 Q N -0.144 119.698 119.800 0.070 0.000 2.372 262 Q HA 0.660 5.004 4.340 0.006 0.000 0.273 262 Q C -0.018 176.024 176.000 0.069 0.000 1.078 262 Q CA -0.806 55.038 55.803 0.069 0.000 0.806 262 Q CB 1.801 30.587 28.738 0.080 0.000 1.332 262 Q HN 0.267 nan 8.270 nan 0.000 0.435 263 R N 2.023 122.557 120.500 0.058 0.000 2.603 263 R HA 0.414 4.758 4.340 0.006 0.000 0.225 263 R C 0.907 177.241 176.300 0.056 0.000 1.300 263 R CA -0.852 55.280 56.100 0.052 0.000 1.075 263 R CB -0.140 30.181 30.300 0.036 0.000 1.663 263 R HN 0.523 nan 8.270 nan 0.000 0.546 264 L N 0.301 121.549 121.223 0.041 0.000 2.012 264 L HA -0.294 4.049 4.340 0.006 0.000 0.236 264 L C 0.960 177.859 176.870 0.048 0.000 1.099 264 L CA 2.169 57.036 54.840 0.046 0.000 0.821 264 L CB -0.539 41.539 42.059 0.032 0.000 0.918 264 L HN 0.700 nan 8.230 nan 0.000 0.445 265 D N -0.823 119.599 120.400 0.037 0.000 2.339 265 D HA 0.260 4.903 4.640 0.006 0.000 0.217 265 D C 0.516 176.836 176.300 0.034 0.000 1.050 265 D CA 0.684 54.704 54.000 0.034 0.000 0.856 265 D CB 0.707 41.523 40.800 0.026 0.000 0.922 265 D HN 0.502 nan 8.370 nan 0.000 0.518 266 G N -0.101 108.722 108.800 0.038 0.000 2.342 266 G HA2 0.289 4.253 3.960 0.006 0.000 0.297 266 G HA3 0.289 4.253 3.960 0.006 0.000 0.297 266 G C -3.065 171.859 174.900 0.041 0.000 1.313 266 G CA -0.945 44.176 45.100 0.036 0.000 0.830 266 G HN -0.265 nan 8.290 nan 0.000 0.506 267 P HA 0.306 nan 4.420 nan 0.000 0.274 267 P C 1.187 178.509 177.300 0.038 0.000 1.231 267 P CA -0.254 62.873 63.100 0.045 0.000 0.790 267 P CB 1.628 33.354 31.700 0.044 0.000 0.951 268 V N 1.053 120.990 119.914 0.039 0.000 2.295 268 V HA -0.121 4.002 4.120 0.006 0.000 0.246 268 V C 1.378 177.488 176.094 0.026 0.000 1.049 268 V CA 2.680 64.999 62.300 0.031 0.000 1.024 268 V CB -1.403 30.438 31.823 0.030 0.000 0.648 268 V HN 0.822 nan 8.190 nan 0.000 0.447 269 T N -2.841 111.731 114.554 0.030 0.000 3.198 269 T HA 0.476 4.830 4.350 0.006 0.000 0.352 269 T C 0.983 175.700 174.700 0.028 0.000 1.197 269 T CA 0.135 62.250 62.100 0.025 0.000 1.427 269 T CB 0.707 69.587 68.868 0.021 0.000 0.983 269 T HN 0.290 nan 8.240 nan 0.000 0.560 270 G N 2.606 111.421 108.800 0.026 0.000 2.505 270 G HA2 -0.283 3.681 3.960 0.006 0.000 0.220 270 G HA3 -0.283 3.681 3.960 0.006 0.000 0.220 270 G C 1.189 176.099 174.900 0.018 0.000 1.145 270 G CA 0.705 45.819 45.100 0.023 0.000 0.761 270 G HN 0.621 nan 8.290 nan 0.000 0.571 271 N N 0.559 119.266 118.700 0.012 0.000 2.320 271 N HA 0.352 5.096 4.740 0.006 0.000 0.237 271 N C 0.535 176.050 175.510 0.008 0.000 1.129 271 N CA 0.504 53.558 53.050 0.007 0.000 0.854 271 N CB 0.282 38.771 38.487 0.004 0.000 1.083 271 N HN 0.346 nan 8.380 nan 0.000 0.504 272 G N -0.806 108.003 108.800 0.014 0.000 3.166 272 G HA2 0.528 4.491 3.960 0.006 0.000 0.267 272 G HA3 0.528 4.491 3.960 0.006 0.000 0.267 272 G C -1.330 173.579 174.900 0.016 0.000 1.256 272 G CA -0.606 44.500 45.100 0.011 0.000 0.859 272 G HN 0.117 nan 8.290 nan 0.000 0.590 273 K N 0.772 121.179 120.400 0.011 0.000 2.723 273 K HA 0.228 4.552 4.320 0.006 0.000 0.229 273 K C 0.639 177.257 176.600 0.031 0.000 1.022 273 K CA -0.414 55.882 56.287 0.015 0.000 1.045 273 K CB 1.568 34.042 32.500 -0.043 0.000 1.227 273 K HN 0.400 nan 8.250 nan 0.000 0.516 274 I N -0.213 120.377 120.570 0.033 0.000 2.361 274 I HA -0.242 3.932 4.170 0.006 0.000 0.251 274 I C 1.722 177.844 176.117 0.008 0.000 1.133 274 I CA 1.289 62.601 61.300 0.020 0.000 1.413 274 I CB -0.528 37.482 38.000 0.016 0.000 1.073 274 I HN 0.511 nan 8.210 nan 0.000 0.424 275 I N 1.089 121.665 120.570 0.011 0.000 2.286 275 I HA -0.245 3.929 4.170 0.006 0.000 0.248 275 I C 2.173 178.289 176.117 -0.002 0.000 1.115 275 I CA 1.366 62.643 61.300 -0.038 0.000 1.392 275 I CB -0.514 37.421 38.000 -0.109 0.000 1.065 275 I HN 0.284 nan 8.210 nan 0.000 0.418 276 N N 0.571 119.306 118.700 0.058 0.000 2.188 276 N HA -0.204 4.540 4.740 0.006 0.000 0.184 276 N C 1.721 177.246 175.510 0.025 0.000 1.018 276 N CA 1.096 54.175 53.050 0.049 0.000 0.858 276 N CB -0.202 38.316 38.487 0.052 0.000 0.989 276 N HN 0.411 nan 8.380 nan 0.000 0.426 277 E N 0.092 120.305 120.200 0.021 0.000 2.051 277 E HA -0.161 4.193 4.350 0.006 0.000 0.192 277 E C 1.511 178.132 176.600 0.035 0.000 0.991 277 E CA 0.849 57.260 56.400 0.019 0.000 0.799 277 E CB -0.042 29.668 29.700 0.016 0.000 0.748 277 E HN 0.037 nan 8.360 nan 0.000 0.449 278 L N 1.728 122.974 121.223 0.038 0.000 1.989 278 L HA -0.191 4.153 4.340 0.006 0.000 0.211 278 L C 2.487 179.423 176.870 0.110 0.000 1.071 278 L CA 2.250 57.144 54.840 0.089 0.000 0.749 278 L CB -1.234 40.810 42.059 -0.024 0.000 0.890 278 L HN 0.343 nan 8.230 nan 0.000 0.431 279 E N -0.957 119.251 120.200 0.014 0.000 2.085 279 E HA -0.202 4.151 4.350 0.006 0.000 0.194 279 E C 2.134 178.761 176.600 0.046 0.000 0.994 279 E CA 1.269 57.674 56.400 0.009 0.000 0.801 279 E CB -0.334 29.353 29.700 -0.023 0.000 0.743 279 E HN 0.479 nan 8.360 nan 0.000 0.453 280 G N 1.557 110.377 108.800 0.033 0.000 2.421 280 G HA2 -0.280 3.684 3.960 0.006 0.000 0.216 280 G HA3 -0.280 3.684 3.960 0.006 0.000 0.216 280 G C 1.618 176.520 174.900 0.002 0.000 1.171 280 G CA 0.874 45.984 45.100 0.017 0.000 0.775 280 G HN 0.414 nan 8.290 nan 0.000 0.543 281 I N -1.314 119.250 120.570 -0.010 0.000 2.406 281 I HA 0.075 4.248 4.170 0.006 0.000 0.249 281 I C 2.329 178.329 176.117 -0.195 0.000 1.122 281 I CA 0.710 61.947 61.300 -0.105 0.000 1.431 281 I CB 0.041 37.947 38.000 -0.157 0.000 1.087 281 I HN 0.142 nan 8.210 nan 0.000 0.424 282 F N 0.988 120.815 119.950 -0.205 0.000 2.186 282 F HA -0.171 4.359 4.527 0.005 0.000 0.299 282 F C 2.596 178.327 175.800 -0.115 0.000 1.090 282 F CA 1.360 59.169 58.000 -0.319 0.000 1.307 282 F CB -0.346 38.406 39.000 -0.412 0.000 1.019 282 F HN 0.077 nan 8.300 nan 0.000 0.489 283 E N 0.362 120.629 120.200 0.111 0.000 2.072 283 E HA -0.139 4.214 4.350 0.006 0.000 0.191 283 E C 2.512 179.142 176.600 0.049 0.000 0.985 283 E CA 1.209 57.662 56.400 0.087 0.000 0.801 283 E CB -0.679 29.051 29.700 0.050 0.000 0.750 283 E HN 0.377 nan 8.360 nan 0.000 0.452 284 G N 0.412 109.216 108.800 0.006 0.000 2.448 284 G HA2 -0.159 3.804 3.960 0.006 0.000 0.219 284 G HA3 -0.159 3.804 3.960 0.006 0.000 0.219 284 G C 1.478 176.369 174.900 -0.016 0.000 1.127 284 G CA 0.813 45.904 45.100 -0.013 0.000 0.766 284 G HN 0.354 nan 8.290 nan 0.000 0.552 285 A N -0.441 122.362 122.820 -0.028 0.000 2.251 285 A HA 0.485 4.808 4.320 0.006 0.000 0.209 285 A C 1.941 179.614 177.584 0.148 0.000 1.187 285 A CA 1.207 53.245 52.037 0.002 0.000 0.823 285 A CB -0.376 18.542 19.000 -0.137 0.000 0.846 285 A HN 1.514 nan 8.150 nan 0.000 0.486 286 G N -2.724 106.161 108.800 0.141 0.000 2.157 286 G HA2 -0.247 3.716 3.960 0.006 0.000 0.239 286 G HA3 -0.247 3.716 3.960 0.006 0.000 0.239 286 G C -0.142 174.861 174.900 0.172 0.000 0.982 286 G CA 0.050 45.221 45.100 0.118 0.000 0.650 286 G HN 0.359 nan 8.290 nan 0.000 0.527 287 W N 0.535 121.812 121.300 -0.037 0.000 2.215 287 W HA 0.626 5.289 4.660 0.006 0.000 0.342 287 W C 0.549 177.043 176.519 -0.043 0.000 1.237 287 W CA -0.775 56.551 57.345 -0.031 0.000 1.283 287 W CB 0.423 29.922 29.460 0.065 0.000 1.131 287 W HN 0.190 nan 8.180 nan 0.000 0.606 288 N N 0.832 119.623 118.700 0.151 0.000 2.414 288 N HA 0.353 5.096 4.740 0.006 0.000 0.256 288 N C -1.611 173.929 175.510 0.051 0.000 1.029 288 N CA -0.133 52.944 53.050 0.045 0.000 0.948 288 N CB 0.675 39.138 38.487 -0.040 0.000 1.102 288 N HN 0.119 nan 8.380 nan 0.000 0.496 289 V N 5.187 125.108 119.914 0.013 0.000 2.398 289 V HA 0.438 4.561 4.120 0.006 0.000 0.286 289 V C 0.217 176.251 176.094 -0.100 0.000 1.026 289 V CA -0.656 61.614 62.300 -0.051 0.000 0.868 289 V CB 0.939 32.736 31.823 -0.044 0.000 0.982 289 V HN 0.582 nan 8.190 nan 0.000 0.443 290 I N 4.916 125.392 120.570 -0.157 0.000 2.382 290 I HA 0.421 4.594 4.170 0.006 0.000 0.285 290 I C -0.060 175.928 176.117 -0.216 0.000 1.007 290 I CA -0.582 60.613 61.300 -0.176 0.000 1.142 290 I CB 1.502 39.378 38.000 -0.206 0.000 1.289 290 I HN 0.500 nan 8.210 nan 0.000 0.453 291 K N 5.389 125.667 120.400 -0.203 0.000 2.227 291 K HA 0.481 4.804 4.320 0.006 0.000 0.280 291 K C -0.699 175.741 176.600 -0.266 0.000 1.041 291 K CA -0.496 55.634 56.287 -0.262 0.000 0.905 291 K CB 2.046 34.378 32.500 -0.281 0.000 1.068 291 K HN 0.316 nan 8.250 nan 0.000 0.470 292 V N 5.764 125.500 119.914 -0.296 0.000 2.220 292 V HA 0.068 4.191 4.120 0.006 0.000 0.265 292 V C 0.649 176.523 176.094 -0.366 0.000 1.078 292 V CA -0.358 61.789 62.300 -0.255 0.000 0.872 292 V CB 0.609 32.314 31.823 -0.196 0.000 1.121 292 V HN 0.828 nan 8.190 nan 0.000 0.460 293 M N 1.301 120.587 119.600 -0.523 0.000 2.276 293 M HA 0.211 4.695 4.480 0.006 0.000 0.262 293 M C 0.338 176.008 176.300 -1.050 0.000 1.098 293 M CA 1.227 55.915 55.300 -1.020 0.000 1.167 293 M CB -0.151 31.583 32.600 -1.444 0.000 1.337 293 M HN 0.509 nan 8.290 nan 0.000 0.446 294 W N -0.251 120.930 121.300 -0.198 0.000 2.761 294 W HA 0.633 5.296 4.660 0.005 0.000 0.340 294 W C 0.628 177.180 176.519 0.055 0.000 1.072 294 W CA -1.250 55.972 57.345 -0.205 0.000 1.215 294 W CB 0.606 29.718 29.460 -0.579 0.000 1.420 294 W HN 0.129 nan 8.180 nan 0.000 0.519 295 G N 0.231 109.344 108.800 0.521 0.000 2.653 295 G HA2 0.170 4.133 3.960 0.006 0.000 0.265 295 G HA3 0.170 4.133 3.960 0.006 0.000 0.265 295 G C 0.669 175.829 174.900 0.434 0.000 1.237 295 G CA -0.405 44.942 45.100 0.412 0.000 0.946 295 G HN 0.524 nan 8.290 nan 0.000 0.522 296 S N -0.426 115.446 115.700 0.287 0.000 2.399 296 S HA -0.106 4.368 4.470 0.006 0.000 0.231 296 S C 2.397 177.149 174.600 0.253 0.000 1.022 296 S CA 0.852 59.194 58.200 0.236 0.000 0.983 296 S CB -0.168 63.120 63.200 0.147 0.000 0.803 296 S HN 0.554 nan 8.310 nan 0.000 0.480 297 R N -0.236 120.414 120.500 0.249 0.000 2.193 297 R HA -0.107 4.236 4.340 0.006 0.000 0.229 297 R C 1.541 177.967 176.300 0.210 0.000 1.110 297 R CA 1.200 57.410 56.100 0.183 0.000 0.988 297 R CB -0.353 30.013 30.300 0.110 0.000 0.871 297 R HN 0.501 nan 8.270 nan 0.000 0.458 298 W N 1.378 122.807 121.300 0.216 0.000 2.584 298 W HA -0.012 4.651 4.660 0.005 0.000 0.264 298 W C 1.583 178.186 176.519 0.139 0.000 1.264 298 W CA 0.243 57.681 57.345 0.155 0.000 1.306 298 W CB -0.003 29.520 29.460 0.105 0.000 1.110 298 W HN 0.019 nan 8.180 nan 0.000 0.606 299 D N 0.883 121.500 120.400 0.361 0.000 2.116 299 D HA -0.234 4.409 4.640 0.006 0.000 0.193 299 D C 1.841 178.264 176.300 0.204 0.000 0.998 299 D CA 2.090 56.242 54.000 0.253 0.000 0.836 299 D CB -0.621 40.300 40.800 0.201 0.000 0.951 299 D HN 0.432 nan 8.370 nan 0.000 0.449 300 E N 0.980 121.299 120.200 0.199 0.000 2.038 300 E HA -0.164 4.189 4.350 0.006 0.000 0.195 300 E C 2.526 179.225 176.600 0.167 0.000 1.000 300 E CA 0.750 57.255 56.400 0.174 0.000 0.803 300 E CB -0.661 29.158 29.700 0.199 0.000 0.750 300 E HN 0.255 nan 8.360 nan 0.000 0.448 301 L N 0.657 121.986 121.223 0.176 0.000 2.012 301 L HA -0.201 4.143 4.340 0.006 0.000 0.210 301 L C 2.720 179.671 176.870 0.134 0.000 1.073 301 L CA 1.116 56.018 54.840 0.103 0.000 0.748 301 L CB -0.481 41.589 42.059 0.018 0.000 0.891 301 L HN 0.161 nan 8.230 nan 0.000 0.431 302 L N -0.748 120.586 121.223 0.184 0.000 2.141 302 L HA -0.163 4.180 4.340 0.006 0.000 0.209 302 L C 2.832 179.771 176.870 0.116 0.000 1.094 302 L CA 0.903 55.837 54.840 0.156 0.000 0.763 302 L CB -0.407 41.759 42.059 0.179 0.000 0.908 302 L HN 0.243 nan 8.230 nan 0.000 0.437 303 R N 1.369 121.939 120.500 0.116 0.000 2.062 303 R HA -0.182 4.161 4.340 0.006 0.000 0.231 303 R C 2.198 178.542 176.300 0.073 0.000 1.136 303 R CA 1.781 57.936 56.100 0.091 0.000 0.948 303 R CB 0.024 30.380 30.300 0.093 0.000 0.845 303 R HN 0.307 nan 8.270 nan 0.000 0.430 304 K N 0.006 120.451 120.400 0.074 0.000 2.432 304 K HA -0.023 4.300 4.320 0.006 0.000 0.196 304 K C 0.283 176.910 176.600 0.044 0.000 1.038 304 K CA 0.934 57.255 56.287 0.057 0.000 0.986 304 K CB -0.056 32.480 32.500 0.060 0.000 0.782 304 K HN 0.035 nan 8.250 nan 0.000 0.485 305 D N 2.172 122.602 120.400 0.049 0.000 2.498 305 D HA -0.025 4.618 4.640 0.006 0.000 0.229 305 D C 0.695 177.011 176.300 0.026 0.000 1.188 305 D CA 0.069 54.090 54.000 0.035 0.000 1.028 305 D CB 0.558 41.385 40.800 0.045 0.000 1.087 305 D HN 0.331 nan 8.370 nan 0.000 0.510 306 T N -0.849 113.716 114.554 0.019 0.000 3.072 306 T HA -0.160 4.193 4.350 0.006 0.000 0.266 306 T C 1.819 176.519 174.700 0.000 0.000 1.127 306 T CA 1.018 63.126 62.100 0.013 0.000 1.107 306 T CB -0.229 68.646 68.868 0.012 0.000 0.910 306 T HN 0.228 nan 8.240 nan 0.000 0.513 307 S N 0.801 116.495 115.700 -0.009 0.000 2.436 307 S HA 0.322 4.796 4.470 0.006 0.000 0.228 307 S C 2.125 176.700 174.600 -0.041 0.000 1.014 307 S CA 0.669 58.852 58.200 -0.028 0.000 0.950 307 S CB -0.957 62.218 63.200 -0.041 0.000 0.784 307 S HN 1.338 nan 8.310 nan 0.000 0.504 308 G N 1.181 109.964 108.800 -0.029 0.000 2.143 308 G HA2 -0.316 3.648 3.960 0.006 0.000 0.249 308 G HA3 -0.316 3.648 3.960 0.006 0.000 0.249 308 G C 0.728 175.584 174.900 -0.074 0.000 0.981 308 G CA 0.618 45.699 45.100 -0.032 0.000 0.665 308 G HN 0.575 nan 8.290 nan 0.000 0.528 309 K N -0.097 120.236 120.400 -0.111 0.000 2.167 309 K HA 0.260 4.583 4.320 0.006 0.000 0.203 309 K C 2.313 178.819 176.600 -0.156 0.000 1.052 309 K CA 1.450 57.604 56.287 -0.221 0.000 0.956 309 K CB -0.315 32.027 32.500 -0.264 0.000 0.735 309 K HN 0.461 nan 8.250 nan 0.000 0.451 310 L N 0.710 121.902 121.223 -0.052 0.000 2.046 310 L HA -0.004 4.340 4.340 0.006 0.000 0.208 310 L C 1.828 178.706 176.870 0.013 0.000 1.077 310 L CA 1.628 56.463 54.840 -0.008 0.000 0.747 310 L CB -0.394 41.715 42.059 0.083 0.000 0.896 310 L HN 0.226 nan 8.230 nan 0.000 0.432 311 I N -0.895 119.694 120.570 0.032 0.000 2.252 311 I HA -0.306 3.868 4.170 0.006 0.000 0.245 311 I C 2.588 178.742 176.117 0.063 0.000 1.102 311 I CA 1.449 62.795 61.300 0.078 0.000 1.385 311 I CB -0.304 37.738 38.000 0.070 0.000 1.064 311 I HN 0.477 nan 8.210 nan 0.000 0.414 312 Q N 0.882 120.672 119.800 -0.016 0.000 2.061 312 Q HA -0.271 4.072 4.340 0.006 0.000 0.204 312 Q C 2.345 178.350 176.000 0.008 0.000 0.984 312 Q CA 1.863 57.643 55.803 -0.038 0.000 0.846 312 Q CB -0.124 28.521 28.738 -0.154 0.000 0.902 312 Q HN 0.420 nan 8.270 nan 0.000 0.421 313 L N 0.429 121.646 121.223 -0.010 0.000 2.017 313 L HA -0.180 4.164 4.340 0.006 0.000 0.208 313 L C 2.290 179.221 176.870 0.101 0.000 1.073 313 L CA 1.860 56.715 54.840 0.024 0.000 0.745 313 L CB -0.426 41.522 42.059 -0.186 0.000 0.894 313 L HN 0.316 nan 8.230 nan 0.000 0.432 314 M N -0.541 119.182 119.600 0.204 0.000 2.108 314 M HA -0.222 4.262 4.480 0.006 0.000 0.261 314 M C 1.963 178.457 176.300 0.324 0.000 1.066 314 M CA 1.762 57.364 55.300 0.503 0.000 1.107 314 M CB -0.537 32.380 32.600 0.527 0.000 1.356 314 M HN 0.351 nan 8.290 nan 0.000 0.406 315 N N 0.527 119.336 118.700 0.181 0.000 2.084 315 N HA -0.181 4.562 4.740 0.006 0.000 0.190 315 N C 1.547 177.049 175.510 -0.014 0.000 1.030 315 N CA 1.740 54.824 53.050 0.057 0.000 0.849 315 N CB -0.501 38.030 38.487 0.074 0.000 1.012 315 N HN 0.588 nan 8.380 nan 0.000 0.423 316 E N 0.027 120.246 120.200 0.032 0.000 2.216 316 E HA -0.033 4.320 4.350 0.006 0.000 0.192 316 E C -0.134 176.467 176.600 0.002 0.000 0.988 316 E CA 0.533 56.944 56.400 0.020 0.000 0.834 316 E CB -0.377 29.354 29.700 0.052 0.000 0.772 316 E HN -0.020 nan 8.360 nan 0.000 0.479 317 T N 3.027 117.586 114.554 0.009 0.000 2.888 317 T HA 0.220 4.573 4.350 0.006 0.000 0.301 317 T C 0.361 175.018 174.700 -0.071 0.000 1.001 317 T CA -0.054 61.991 62.100 -0.091 0.000 1.147 317 T CB 1.306 69.998 68.868 -0.294 0.000 0.931 317 T HN 0.224 nan 8.240 nan 0.000 0.541 318 V N 0.915 120.788 119.914 -0.067 0.000 3.134 318 V HA 0.372 4.495 4.120 0.006 0.000 0.313 318 V C 1.027 177.194 176.094 0.121 0.000 1.069 318 V CA -0.706 61.603 62.300 0.016 0.000 1.048 318 V CB 0.803 32.624 31.823 -0.005 0.000 1.119 318 V HN 0.613 nan 8.190 nan 0.000 0.461 319 D N 2.251 122.739 120.400 0.147 0.000 2.149 319 D HA -0.071 4.572 4.640 0.006 0.000 0.198 319 D C 2.076 178.449 176.300 0.122 0.000 0.990 319 D CA 2.081 56.199 54.000 0.195 0.000 0.839 319 D CB -0.592 40.278 40.800 0.117 0.000 0.948 319 D HN 0.866 nan 8.370 nan 0.000 0.460 320 G N 0.698 109.520 108.800 0.036 0.000 2.418 320 G HA2 -0.235 3.729 3.960 0.006 0.000 0.217 320 G HA3 -0.235 3.729 3.960 0.006 0.000 0.217 320 G C 1.324 176.160 174.900 -0.107 0.000 1.158 320 G CA 0.767 45.857 45.100 -0.016 0.000 0.771 320 G HN 0.163 nan 8.290 nan 0.000 0.545 321 D N -0.302 119.983 120.400 -0.193 0.000 2.149 321 D HA -0.054 4.589 4.640 0.006 0.000 0.201 321 D C 2.056 177.820 176.300 -0.893 0.000 0.972 321 D CA 0.572 54.282 54.000 -0.483 0.000 0.835 321 D CB -0.307 40.248 40.800 -0.407 0.000 0.966 321 D HN 0.462 nan 8.370 nan 0.000 0.476 322 Y N 1.312 121.375 120.300 -0.396 0.000 2.207 322 Y HA -0.183 4.371 4.550 0.006 0.000 0.287 322 Y C 2.640 178.466 175.900 -0.123 0.000 1.156 322 Y CA 0.838 58.836 58.100 -0.169 0.000 1.182 322 Y CB 0.153 38.706 38.460 0.156 0.000 0.979 322 Y HN -0.064 nan 8.280 nan 0.000 0.521 323 Q N -0.604 119.224 119.800 0.047 0.000 2.172 323 Q HA -0.136 4.208 4.340 0.006 0.000 0.200 323 Q C 2.409 178.405 176.000 -0.007 0.000 0.964 323 Q CA 1.861 57.696 55.803 0.054 0.000 0.855 323 Q CB -0.840 27.928 28.738 0.052 0.000 0.918 323 Q HN 0.616 nan 8.270 nan 0.000 0.444 324 T N -1.741 112.722 114.554 -0.151 0.000 2.821 324 T HA -0.089 4.264 4.350 0.006 0.000 0.267 324 T C 1.870 176.542 174.700 -0.047 0.000 1.046 324 T CA 0.846 62.860 62.100 -0.144 0.000 1.139 324 T CB -0.703 68.045 68.868 -0.200 0.000 0.871 324 T HN 0.216 nan 8.240 nan 0.000 0.454 325 F N 2.264 122.275 119.950 0.103 0.000 2.161 325 F HA -0.034 4.496 4.527 0.005 0.000 0.300 325 F C 2.753 178.726 175.800 0.287 0.000 1.089 325 F CA 1.175 59.296 58.000 0.202 0.000 1.282 325 F CB -0.312 38.852 39.000 0.275 0.000 1.010 325 F HN 0.202 nan 8.300 nan 0.000 0.485 326 K N 1.123 121.753 120.400 0.384 0.000 2.209 326 K HA -0.160 4.163 4.320 0.006 0.000 0.204 326 K C 1.442 178.262 176.600 0.366 0.000 1.048 326 K CA 1.677 58.151 56.287 0.312 0.000 0.940 326 K CB -0.201 32.414 32.500 0.191 0.000 0.729 326 K HN 0.228 nan 8.250 nan 0.000 0.451 327 S N -0.211 115.623 115.700 0.223 0.000 2.634 327 S HA 0.179 4.653 4.470 0.006 0.000 0.221 327 S C 0.293 174.918 174.600 0.041 0.000 0.952 327 S CA -0.512 57.764 58.200 0.126 0.000 0.930 327 S CB 0.208 63.425 63.200 0.029 0.000 0.780 327 S HN 0.123 nan 8.310 nan 0.000 0.498 328 K N 1.802 122.253 120.400 0.086 0.000 2.989 328 K HA 0.519 4.842 4.320 0.006 0.000 0.260 328 K C -0.346 175.956 176.600 -0.497 0.000 0.982 328 K CA -0.253 55.924 56.287 -0.184 0.000 1.553 328 K CB -0.178 32.065 32.500 -0.429 0.000 3.152 328 K HN 0.410 nan 8.250 nan 0.000 0.970 329 D N -2.794 117.227 120.400 -0.632 0.000 2.759 329 D HA 0.216 4.860 4.640 0.006 0.000 0.321 329 D C 0.953 176.965 176.300 -0.479 0.000 1.267 329 D CA -0.374 52.854 54.000 -1.288 0.000 0.933 329 D CB 0.099 40.486 40.800 -0.687 0.000 1.431 329 D HN 0.351 nan 8.370 nan 0.000 0.504 330 G N -0.137 108.483 108.800 -0.300 0.000 2.440 330 G HA2 -0.104 3.859 3.960 0.006 0.000 0.218 330 G HA3 -0.104 3.859 3.960 0.006 0.000 0.218 330 G C 1.393 176.393 174.900 0.166 0.000 1.154 330 G CA 1.938 47.154 45.100 0.193 0.000 0.767 330 G HN 0.709 nan 8.290 nan 0.000 0.552 331 A N 0.042 122.908 122.820 0.077 0.000 1.883 331 A HA -0.080 4.244 4.320 0.006 0.000 0.217 331 A C 2.200 179.886 177.584 0.171 0.000 1.186 331 A CA 1.754 53.849 52.037 0.096 0.000 0.624 331 A CB -0.793 18.241 19.000 0.057 0.000 0.822 331 A HN 0.473 nan 8.150 nan 0.000 0.444 332 Y N 0.539 120.909 120.300 0.117 0.000 2.097 332 Y HA -0.237 4.315 4.550 0.004 0.000 0.282 332 Y C 2.460 178.551 175.900 0.319 0.000 1.152 332 Y CA 2.214 60.476 58.100 0.270 0.000 1.136 332 Y CB -0.306 38.266 38.460 0.187 0.000 0.975 332 Y HN 0.082 nan 8.280 nan 0.000 0.498 333 V N 1.197 121.382 119.914 0.452 0.000 2.287 333 V HA -0.364 3.759 4.120 0.006 0.000 0.248 333 V C 2.442 178.700 176.094 0.273 0.000 1.053 333 V CA 2.385 64.839 62.300 0.256 0.000 1.027 333 V CB -0.888 31.139 31.823 0.341 0.000 0.646 333 V HN 0.484 nan 8.190 nan 0.000 0.447 334 R N 0.724 121.392 120.500 0.280 0.000 2.091 334 R HA -0.242 4.102 4.340 0.006 0.000 0.238 334 R C 2.217 178.582 176.300 0.110 0.000 1.136 334 R CA 2.447 58.683 56.100 0.226 0.000 0.959 334 R CB -0.448 29.909 30.300 0.096 0.000 0.856 334 R HN 0.674 nan 8.270 nan 0.000 0.437 335 E N -0.833 119.364 120.200 -0.005 0.000 2.060 335 E HA -0.156 4.197 4.350 0.006 0.000 0.189 335 E C 1.516 177.931 176.600 -0.308 0.000 0.974 335 E CA 1.079 57.362 56.400 -0.196 0.000 0.808 335 E CB 0.005 29.503 29.700 -0.337 0.000 0.768 335 E HN 0.625 nan 8.360 nan 0.000 0.453 336 H N -1.579 117.385 119.070 -0.176 0.000 2.482 336 H HA 0.072 4.630 4.556 0.004 0.000 0.286 336 H C 1.117 176.444 175.328 -0.002 0.000 1.017 336 H CA 1.262 57.240 56.048 -0.117 0.000 1.322 336 H CB 0.194 29.853 29.762 -0.172 0.000 1.426 336 H HN 0.184 nan 8.280 nan 0.000 0.546 337 F N -0.642 119.184 119.950 -0.206 0.000 2.394 337 F HA 0.103 4.633 4.527 0.005 0.000 0.269 337 F C 1.426 177.062 175.800 -0.273 0.000 1.012 337 F CA 0.357 58.143 58.000 -0.357 0.000 1.138 337 F CB -0.643 37.876 39.000 -0.802 0.000 1.140 337 F HN -0.049 nan 8.300 nan 0.000 0.623 338 F N 0.908 120.805 119.950 -0.088 0.000 2.216 338 F HA 0.007 4.537 4.527 0.005 0.000 0.300 338 F C 2.524 178.225 175.800 -0.165 0.000 1.085 338 F CA 1.211 59.105 58.000 -0.177 0.000 1.326 338 F CB -1.047 37.903 39.000 -0.084 0.000 1.027 338 F HN 0.164 nan 8.300 nan 0.000 0.497 339 G N -0.487 108.320 108.800 0.011 0.000 2.776 339 G HA2 -0.123 3.841 3.960 0.006 0.000 0.209 339 G HA3 -0.123 3.841 3.960 0.006 0.000 0.209 339 G C 1.686 176.482 174.900 -0.174 0.000 1.145 339 G CA 0.119 45.174 45.100 -0.075 0.000 0.791 339 G HN 0.100 nan 8.290 nan 0.000 0.530 340 K N -0.427 119.811 120.400 -0.269 0.000 2.217 340 K HA 0.036 4.359 4.320 0.006 0.000 0.202 340 K C -0.344 175.793 176.600 -0.772 0.000 1.051 340 K CA 0.645 56.611 56.287 -0.534 0.000 0.952 340 K CB 0.014 32.115 32.500 -0.665 0.000 0.736 340 K HN 0.482 nan 8.250 nan 0.000 0.453 341 Y N -0.861 119.381 120.300 -0.096 0.000 2.534 341 Y HA 0.158 4.712 4.550 0.007 0.000 0.345 341 Y C -1.786 174.084 175.900 -0.051 0.000 1.031 341 Y CA -2.130 55.928 58.100 -0.070 0.000 1.022 341 Y CB 2.059 40.472 38.460 -0.079 0.000 1.292 341 Y HN -0.193 nan 8.280 nan 0.000 0.459 342 P HA -0.195 nan 4.420 nan 0.000 0.215 342 P C 0.849 178.180 177.300 0.052 0.000 1.153 342 P CA 1.992 65.126 63.100 0.057 0.000 0.853 342 P CB 0.365 32.090 31.700 0.042 0.000 0.788 343 E N 0.356 120.592 120.200 0.060 0.000 2.077 343 E HA -0.156 4.197 4.350 0.006 0.000 0.193 343 E C 1.796 178.418 176.600 0.036 0.000 0.989 343 E CA 2.152 58.568 56.400 0.026 0.000 0.800 343 E CB -1.859 27.838 29.700 -0.006 0.000 0.746 343 E HN 0.359 nan 8.360 nan 0.000 0.452 344 T N -0.714 113.889 114.554 0.081 0.000 2.942 344 T HA 0.236 4.590 4.350 0.006 0.000 0.265 344 T C 2.176 176.951 174.700 0.125 0.000 1.062 344 T CA 0.931 63.102 62.100 0.119 0.000 1.139 344 T CB -0.123 68.818 68.868 0.121 0.000 0.883 344 T HN 0.259 nan 8.240 nan 0.000 0.468 345 A N 1.714 124.578 122.820 0.073 0.000 1.969 345 A HA 0.449 4.772 4.320 0.006 0.000 0.218 345 A C 2.719 180.275 177.584 -0.047 0.000 1.169 345 A CA 1.422 53.472 52.037 0.021 0.000 0.635 345 A CB -1.189 17.815 19.000 0.007 0.000 0.810 345 A HN 0.684 nan 8.150 nan 0.000 0.445 346 A N -0.242 122.561 122.820 -0.029 0.000 2.015 346 A HA 0.069 4.392 4.320 0.006 0.000 0.219 346 A C 2.050 179.584 177.584 -0.083 0.000 1.163 346 A CA 1.179 53.190 52.037 -0.043 0.000 0.646 346 A CB -0.511 18.480 19.000 -0.015 0.000 0.806 346 A HN 0.475 nan 8.150 nan 0.000 0.448 347 L N -0.309 120.842 121.223 -0.122 0.000 2.141 347 L HA -0.115 4.228 4.340 0.006 0.000 0.209 347 L C 1.987 178.588 176.870 -0.449 0.000 1.094 347 L CA 1.445 56.163 54.840 -0.202 0.000 0.763 347 L CB -0.327 41.631 42.059 -0.167 0.000 0.908 347 L HN 0.425 nan 8.230 nan 0.000 0.437 348 V N -5.035 114.511 119.914 -0.614 0.000 3.427 348 V HA 0.382 4.505 4.120 0.006 0.000 0.305 348 V C 2.086 178.004 176.094 -0.294 0.000 1.412 348 V CA 0.407 62.191 62.300 -0.861 0.000 1.086 348 V CB -0.137 30.888 31.823 -1.331 0.000 0.964 348 V HN 0.163 nan 8.190 nan 0.000 0.439 349 A N 2.377 125.104 122.820 -0.154 0.000 1.940 349 A HA -0.212 4.111 4.320 0.006 0.000 0.219 349 A C 1.793 179.399 177.584 0.035 0.000 1.176 349 A CA 2.095 54.104 52.037 -0.046 0.000 0.631 349 A CB -0.582 18.399 19.000 -0.032 0.000 0.814 349 A HN 0.773 nan 8.150 nan 0.000 0.446 350 D N -2.698 117.766 120.400 0.107 0.000 2.325 350 D HA 0.055 4.698 4.640 0.006 0.000 0.225 350 D C -0.196 176.235 176.300 0.218 0.000 1.096 350 D CA -0.268 53.816 54.000 0.140 0.000 0.844 350 D CB -0.288 40.586 40.800 0.123 0.000 0.925 350 D HN 0.473 nan 8.370 nan 0.000 0.513 351 W N 1.768 123.003 121.300 -0.108 0.000 2.516 351 W HA 0.403 5.067 4.660 0.006 0.000 0.343 351 W C 0.760 177.229 176.519 -0.084 0.000 1.094 351 W CA -0.923 56.355 57.345 -0.113 0.000 1.250 351 W CB 1.127 30.479 29.460 -0.180 0.000 1.308 351 W HN -0.232 nan 8.180 nan 0.000 0.588 352 T N -1.631 113.001 114.554 0.131 0.000 2.899 352 T HA 0.125 4.479 4.350 0.006 0.000 0.284 352 T C 0.694 175.471 174.700 0.129 0.000 1.004 352 T CA -0.459 61.690 62.100 0.082 0.000 1.043 352 T CB 1.213 70.096 68.868 0.025 0.000 1.013 352 T HN 0.318 nan 8.240 nan 0.000 0.518 353 D N 0.722 121.179 120.400 0.095 0.000 2.149 353 D HA -0.071 4.573 4.640 0.006 0.000 0.198 353 D C 1.937 178.337 176.300 0.168 0.000 0.990 353 D CA 1.305 55.373 54.000 0.113 0.000 0.839 353 D CB -0.098 40.738 40.800 0.059 0.000 0.948 353 D HN 0.752 nan 8.370 nan 0.000 0.460 354 E N 0.413 120.692 120.200 0.131 0.000 2.072 354 E HA -0.131 4.223 4.350 0.006 0.000 0.191 354 E C 2.148 178.870 176.600 0.203 0.000 0.985 354 E CA 0.766 57.267 56.400 0.167 0.000 0.801 354 E CB -0.161 29.593 29.700 0.091 0.000 0.750 354 E HN 0.361 nan 8.360 nan 0.000 0.452 355 Q N 0.020 119.904 119.800 0.141 0.000 2.124 355 Q HA -0.127 4.216 4.340 0.006 0.000 0.202 355 Q C 2.198 178.417 176.000 0.366 0.000 0.977 355 Q CA 1.051 56.919 55.803 0.109 0.000 0.850 355 Q CB -0.113 28.564 28.738 -0.102 0.000 0.901 355 Q HN 0.362 nan 8.270 nan 0.000 0.429 356 I N -0.536 120.283 120.570 0.415 0.000 2.286 356 I HA -0.241 3.932 4.170 0.006 0.000 0.245 356 I C 2.097 178.411 176.117 0.329 0.000 1.104 356 I CA 0.836 62.320 61.300 0.307 0.000 1.397 356 I CB -0.355 37.747 38.000 0.170 0.000 1.072 356 I HN 0.470 nan 8.210 nan 0.000 0.417 357 W N 1.723 123.104 121.300 0.136 0.000 2.465 357 W HA -0.151 4.513 4.660 0.007 0.000 0.268 357 W C 2.199 178.795 176.519 0.128 0.000 1.242 357 W CA 1.017 58.441 57.345 0.131 0.000 1.248 357 W CB 0.248 29.771 29.460 0.106 0.000 1.118 357 W HN 0.118 nan 8.180 nan 0.000 0.587 358 A N 0.482 123.397 122.820 0.159 0.000 2.167 358 A HA 0.054 4.378 4.320 0.006 0.000 0.214 358 A C 0.966 178.572 177.584 0.036 0.000 1.151 358 A CA 0.145 52.207 52.037 0.043 0.000 0.735 358 A CB -0.735 18.304 19.000 0.065 0.000 0.802 358 A HN 0.157 nan 8.150 nan 0.000 0.467 359 L N 2.325 123.571 121.223 0.039 0.000 2.601 359 L HA -0.011 4.333 4.340 0.006 0.000 0.277 359 L C -0.095 176.926 176.870 0.253 0.000 1.219 359 L CA -0.319 54.509 54.840 -0.021 0.000 0.915 359 L CB 0.010 41.835 42.059 -0.391 0.000 1.160 359 L HN 0.548 nan 8.230 nan 0.000 0.494 360 N N 4.090 123.052 118.700 0.437 0.000 2.443 360 N HA 0.408 5.151 4.740 0.006 0.000 0.293 360 N C -0.685 175.172 175.510 0.578 0.000 1.159 360 N CA -0.921 52.387 53.050 0.430 0.000 0.904 360 N CB 1.073 39.734 38.487 0.291 0.000 1.214 360 N HN 0.390 nan 8.380 nan 0.000 0.513 361 R N -0.497 120.191 120.500 0.313 0.000 2.357 361 R HA 0.307 4.651 4.340 0.006 0.000 0.296 361 R C 1.496 177.828 176.300 0.052 0.000 1.052 361 R CA -0.243 55.907 56.100 0.082 0.000 0.988 361 R CB 0.768 30.907 30.300 -0.268 0.000 1.025 361 R HN 0.873 nan 8.270 nan 0.000 0.469 362 G N 2.158 110.924 108.800 -0.057 0.000 2.505 362 G HA2 -0.301 3.662 3.960 0.006 0.000 0.220 362 G HA3 -0.301 3.662 3.960 0.006 0.000 0.220 362 G C 1.256 176.099 174.900 -0.096 0.000 1.145 362 G CA 0.978 46.047 45.100 -0.052 0.000 0.761 362 G HN 0.762 nan 8.290 nan 0.000 0.571 363 G N -1.048 107.617 108.800 -0.225 0.000 2.653 363 G HA2 0.025 3.989 3.960 0.006 0.000 0.212 363 G HA3 0.025 3.989 3.960 0.006 0.000 0.212 363 G C 1.119 175.752 174.900 -0.447 0.000 1.138 363 G CA 0.734 45.642 45.100 -0.319 0.000 0.782 363 G HN 0.638 nan 8.290 nan 0.000 0.535 364 H N -1.628 117.363 119.070 -0.132 0.000 2.755 364 H HA 0.187 4.747 4.556 0.006 0.000 0.273 364 H C -0.261 175.063 175.328 -0.007 0.000 1.055 364 H CA -0.463 55.505 56.048 -0.135 0.000 1.191 364 H CB 0.951 30.543 29.762 -0.283 0.000 1.536 364 H HN 0.129 nan 8.280 nan 0.000 0.529 365 D N 1.015 121.469 120.400 0.089 0.000 2.373 365 D HA 0.083 4.727 4.640 0.006 0.000 0.227 365 D C -1.856 174.473 176.300 0.048 0.000 1.091 365 D CA -2.335 51.714 54.000 0.082 0.000 0.840 365 D CB 1.778 42.643 40.800 0.107 0.000 1.060 365 D HN 0.037 nan 8.370 nan 0.000 0.502 366 P HA -0.146 nan 4.420 nan 0.000 0.216 366 P C 1.042 178.347 177.300 0.007 0.000 1.150 366 P CA 1.282 64.362 63.100 -0.033 0.000 0.843 366 P CB 0.418 31.955 31.700 -0.273 0.000 0.787 367 K N -0.442 119.907 120.400 -0.085 0.000 2.097 367 K HA -0.090 4.233 4.320 0.006 0.000 0.205 367 K C 1.915 178.641 176.600 0.210 0.000 1.050 367 K CA 1.051 57.388 56.287 0.083 0.000 0.938 367 K CB -0.192 32.322 32.500 0.023 0.000 0.718 367 K HN 0.075 nan 8.250 nan 0.000 0.442 368 K N 0.997 121.482 120.400 0.142 0.000 2.062 368 K HA -0.014 4.310 4.320 0.006 0.000 0.205 368 K C 2.135 178.815 176.600 0.133 0.000 1.051 368 K CA 0.984 57.344 56.287 0.122 0.000 0.941 368 K CB -0.304 32.242 32.500 0.077 0.000 0.719 368 K HN 0.166 nan 8.250 nan 0.000 0.440 369 I N 0.123 120.791 120.570 0.164 0.000 2.142 369 I HA -0.324 3.849 4.170 0.006 0.000 0.240 369 I C 2.449 178.769 176.117 0.340 0.000 1.078 369 I CA 1.357 62.788 61.300 0.218 0.000 1.343 369 I CB -0.407 37.720 38.000 0.212 0.000 1.046 369 I HN 0.030 nan 8.210 nan 0.000 0.405 370 Y N 1.692 122.176 120.300 0.306 0.000 2.114 370 Y HA -0.354 4.200 4.550 0.006 0.000 0.282 370 Y C 2.539 178.617 175.900 0.297 0.000 1.165 370 Y CA 1.680 60.015 58.100 0.392 0.000 1.148 370 Y CB -0.407 38.317 38.460 0.440 0.000 0.972 370 Y HN 0.147 nan 8.280 nan 0.000 0.504 371 A N 0.361 123.378 122.820 0.329 0.000 1.908 371 A HA -0.196 4.127 4.320 0.006 0.000 0.218 371 A C 2.418 180.009 177.584 0.011 0.000 1.181 371 A CA 2.171 54.311 52.037 0.172 0.000 0.627 371 A CB -1.551 17.550 19.000 0.168 0.000 0.818 371 A HN 0.633 nan 8.150 nan 0.000 0.445 372 A N -1.366 121.435 122.820 -0.032 0.000 1.873 372 A HA 0.029 4.352 4.320 0.006 0.000 0.215 372 A C 1.981 179.363 177.584 -0.337 0.000 1.186 372 A CA 1.465 53.385 52.037 -0.195 0.000 0.616 372 A CB -0.726 18.111 19.000 -0.272 0.000 0.823 372 A HN 0.468 nan 8.150 nan 0.000 0.442 373 F N -0.201 119.517 119.950 -0.387 0.000 2.234 373 F HA -0.071 4.459 4.527 0.006 0.000 0.299 373 F C 2.287 177.787 175.800 -0.499 0.000 1.087 373 F CA 1.714 59.308 58.000 -0.676 0.000 1.340 373 F CB -0.013 38.104 39.000 -1.471 0.000 1.031 373 F HN 0.086 nan 8.300 nan 0.000 0.500 374 K N 0.982 121.307 120.400 -0.125 0.000 2.057 374 K HA -0.161 4.163 4.320 0.006 0.000 0.206 374 K C 2.040 178.641 176.600 0.002 0.000 1.050 374 K CA 1.332 57.644 56.287 0.041 0.000 0.935 374 K CB -0.282 32.154 32.500 -0.105 0.000 0.715 374 K HN 0.027 nan 8.250 nan 0.000 0.439 375 K N -0.426 119.942 120.400 -0.054 0.000 2.097 375 K HA -0.052 4.272 4.320 0.006 0.000 0.205 375 K C 1.880 178.431 176.600 -0.081 0.000 1.050 375 K CA 1.176 57.430 56.287 -0.055 0.000 0.938 375 K CB -0.163 32.297 32.500 -0.067 0.000 0.718 375 K HN 0.166 nan 8.250 nan 0.000 0.442 376 A N 1.198 123.935 122.820 -0.137 0.000 1.933 376 A HA -0.228 4.095 4.320 0.006 0.000 0.218 376 A C 2.025 179.555 177.584 -0.089 0.000 1.175 376 A CA 1.551 53.496 52.037 -0.153 0.000 0.628 376 A CB -0.573 18.280 19.000 -0.245 0.000 0.814 376 A HN 0.519 nan 8.150 nan 0.000 0.444 377 Q N -0.610 119.176 119.800 -0.024 0.000 2.226 377 Q HA -0.195 4.149 4.340 0.006 0.000 0.204 377 Q C 1.436 177.442 176.000 0.010 0.000 0.975 377 Q CA 1.669 57.497 55.803 0.040 0.000 0.866 377 Q CB -0.042 28.795 28.738 0.165 0.000 0.915 377 Q HN 0.821 nan 8.270 nan 0.000 0.440 378 E N -0.794 119.401 120.200 -0.009 0.000 2.452 378 E HA 0.041 4.395 4.350 0.006 0.000 0.197 378 E C -0.228 176.350 176.600 -0.038 0.000 1.022 378 E CA 0.103 56.495 56.400 -0.014 0.000 0.890 378 E CB 0.646 30.343 29.700 -0.005 0.000 0.918 378 E HN 0.072 nan 8.360 nan 0.000 0.496 379 T N 2.677 117.194 114.554 -0.061 0.000 2.779 379 T HA 0.160 4.513 4.350 0.006 0.000 0.296 379 T C 0.033 174.677 174.700 -0.093 0.000 0.938 379 T CA -0.091 61.962 62.100 -0.078 0.000 1.119 379 T CB 0.678 69.486 68.868 -0.099 0.000 0.891 379 T HN -0.105 nan 8.240 nan 0.000 0.526 380 K N 1.337 121.686 120.400 -0.084 0.000 2.295 380 K HA 0.639 4.962 4.320 0.006 0.000 0.239 380 K C 1.213 177.751 176.600 -0.103 0.000 0.991 380 K CA -0.719 55.514 56.287 -0.091 0.000 0.845 380 K CB 1.680 34.140 32.500 -0.066 0.000 1.197 380 K HN 0.719 nan 8.250 nan 0.000 0.441 381 G N 0.749 109.483 108.800 -0.110 0.000 2.205 381 G HA2 -0.327 3.637 3.960 0.006 0.000 0.261 381 G HA3 -0.327 3.637 3.960 0.006 0.000 0.261 381 G C -0.363 174.442 174.900 -0.159 0.000 0.980 381 G CA 1.193 46.225 45.100 -0.114 0.000 0.632 381 G HN 0.560 nan 8.290 nan 0.000 0.533 382 K N -1.311 118.963 120.400 -0.210 0.000 2.658 382 K HA 0.805 5.128 4.320 0.006 0.000 0.293 382 K C -0.258 176.086 176.600 -0.427 0.000 1.026 382 K CA -0.233 55.864 56.287 -0.317 0.000 0.871 382 K CB 0.368 32.711 32.500 -0.262 0.000 1.524 382 K HN 1.290 nan 8.250 nan 0.000 0.400 383 A N 0.445 122.821 122.820 -0.740 0.000 2.304 383 A HA 0.676 4.999 4.320 0.006 0.000 0.271 383 A C -0.573 176.658 177.584 -0.588 0.000 1.091 383 A CA -0.223 51.267 52.037 -0.911 0.000 0.812 383 A CB 0.443 18.365 19.000 -1.796 0.000 1.056 383 A HN 0.542 nan 8.150 nan 0.000 0.489 384 T N 0.822 115.186 114.554 -0.316 0.000 2.829 384 T HA 0.547 4.900 4.350 0.006 0.000 0.280 384 T C -0.618 174.148 174.700 0.111 0.000 0.999 384 T CA -0.299 61.763 62.100 -0.062 0.000 0.983 384 T CB 1.255 70.032 68.868 -0.153 0.000 0.968 384 T HN 0.564 nan 8.240 nan 0.000 0.446 385 V N 3.892 123.866 119.914 0.099 0.000 2.448 385 V HA 0.550 4.674 4.120 0.006 0.000 0.295 385 V C -0.247 175.699 176.094 -0.247 0.000 1.025 385 V CA -0.901 61.332 62.300 -0.112 0.000 0.859 385 V CB 1.383 32.910 31.823 -0.493 0.000 0.988 385 V HN 0.804 nan 8.190 nan 0.000 0.431 386 I N 5.417 125.796 120.570 -0.318 0.000 2.330 386 I HA 0.364 4.538 4.170 0.006 0.000 0.289 386 I C -0.438 175.470 176.117 -0.348 0.000 1.001 386 I CA -0.346 60.722 61.300 -0.385 0.000 1.193 386 I CB 1.450 39.101 38.000 -0.582 0.000 1.345 386 I HN 0.436 nan 8.210 nan 0.000 0.461 387 L N 7.126 128.158 121.223 -0.318 0.000 2.315 387 L HA 0.478 4.821 4.340 0.006 0.000 0.278 387 L C 0.463 177.164 176.870 -0.282 0.000 1.088 387 L CA -0.410 54.253 54.840 -0.295 0.000 0.899 387 L CB 0.676 42.562 42.059 -0.289 0.000 1.277 387 L HN 0.623 nan 8.230 nan 0.000 0.431 388 A N 2.777 125.449 122.820 -0.246 0.000 2.279 388 A HA 0.197 4.520 4.320 0.006 0.000 0.306 388 A C -0.188 177.285 177.584 -0.186 0.000 1.300 388 A CA -0.347 51.559 52.037 -0.219 0.000 0.925 388 A CB -0.185 18.702 19.000 -0.188 0.000 1.152 388 A HN 0.742 nan 8.150 nan 0.000 0.544 389 H N 3.017 121.864 119.070 -0.370 0.000 2.878 389 H HA 0.332 4.891 4.556 0.005 0.000 0.290 389 H C 0.365 175.489 175.328 -0.340 0.000 1.065 389 H CA 0.888 56.695 56.048 -0.401 0.000 1.477 389 H CB 0.501 29.890 29.762 -0.622 0.000 1.484 389 H HN 0.794 nan 8.280 nan 0.000 0.504 390 T N 2.218 116.577 114.554 -0.325 0.000 2.838 390 T HA 0.446 4.800 4.350 0.006 0.000 0.292 390 T C -0.413 174.223 174.700 -0.107 0.000 1.113 390 T CA -0.972 60.935 62.100 -0.322 0.000 1.008 390 T CB 1.637 70.284 68.868 -0.368 0.000 1.259 390 T HN 0.356 nan 8.240 nan 0.000 0.520 391 I N 1.988 122.666 120.570 0.179 0.000 2.339 391 I HA 0.422 4.596 4.170 0.006 0.000 0.290 391 I C 1.328 177.572 176.117 0.212 0.000 0.994 391 I CA -0.771 60.623 61.300 0.156 0.000 1.191 391 I CB 1.805 39.919 38.000 0.191 0.000 1.343 391 I HN 0.851 nan 8.210 nan 0.000 0.458 392 K N 5.035 125.536 120.400 0.168 0.000 1.978 392 K HA -0.078 4.245 4.320 0.006 0.000 0.214 392 K C 1.546 178.287 176.600 0.235 0.000 1.049 392 K CA 1.737 58.137 56.287 0.187 0.000 0.939 392 K CB -0.370 32.224 32.500 0.156 0.000 0.721 392 K HN 0.767 nan 8.250 nan 0.000 0.441 393 G N -0.269 108.662 108.800 0.218 0.000 3.374 393 G HA2 -0.103 3.861 3.960 0.006 0.000 0.252 393 G HA3 -0.103 3.861 3.960 0.006 0.000 0.252 393 G C 0.498 175.559 174.900 0.269 0.000 1.326 393 G CA -0.176 45.058 45.100 0.224 0.000 1.133 393 G HN 0.340 nan 8.290 nan 0.000 0.528 394 Y N 1.725 122.115 120.300 0.149 0.000 1.931 394 Y HA -0.353 4.200 4.550 0.005 0.000 0.240 394 Y C 2.443 178.462 175.900 0.198 0.000 1.189 394 Y CA 2.345 60.515 58.100 0.118 0.000 1.059 394 Y CB -0.595 37.941 38.460 0.128 0.000 0.880 394 Y HN 0.187 nan 8.280 nan 0.000 0.507 395 G N -1.422 107.462 108.800 0.141 0.000 2.576 395 G HA2 -0.047 3.917 3.960 0.006 0.000 0.210 395 G HA3 -0.047 3.917 3.960 0.006 0.000 0.210 395 G C 1.556 176.548 174.900 0.154 0.000 1.143 395 G CA 0.523 45.616 45.100 -0.012 0.000 0.819 395 G HN 0.464 nan 8.290 nan 0.000 0.534 396 M N 0.690 120.455 119.600 0.275 0.000 2.195 396 M HA -0.071 4.413 4.480 0.006 0.000 0.254 396 M C 2.307 178.832 176.300 0.375 0.000 1.083 396 M CA 1.736 57.231 55.300 0.326 0.000 1.069 396 M CB -1.593 31.148 32.600 0.234 0.000 1.364 396 M HN 0.416 nan 8.290 nan 0.000 0.403 397 G N 2.592 111.558 108.800 0.276 0.000 2.952 397 G HA2 -0.463 3.500 3.960 0.006 0.000 0.346 397 G HA3 -0.463 3.500 3.960 0.006 0.000 0.346 397 G C 0.569 175.534 174.900 0.108 0.000 1.191 397 G CA 1.229 46.452 45.100 0.206 0.000 0.961 397 G HN 0.713 nan 8.290 nan 0.000 0.588 398 D N 1.659 122.052 120.400 -0.012 0.000 2.133 398 D HA -0.060 4.584 4.640 0.006 0.000 0.195 398 D C 2.616 178.930 176.300 0.022 0.000 0.997 398 D CA 2.440 56.419 54.000 -0.035 0.000 0.840 398 D CB -0.627 40.090 40.800 -0.138 0.000 0.947 398 D HN 0.840 nan 8.370 nan 0.000 0.452 399 A N 2.225 125.078 122.820 0.055 0.000 1.826 399 A HA 0.313 4.636 4.320 0.006 0.000 0.214 399 A C 1.502 179.146 177.584 0.099 0.000 1.212 399 A CA 1.844 53.929 52.037 0.080 0.000 0.605 399 A CB -1.020 18.045 19.000 0.108 0.000 0.861 399 A HN 0.667 nan 8.150 nan 0.000 0.447 415 D N 0.907 121.337 120.400 0.050 0.000 2.417 415 D HA 0.339 4.982 4.640 0.006 0.000 0.207 415 D C 1.984 178.341 176.300 0.095 0.000 1.075 415 D CA 1.081 55.127 54.000 0.076 0.000 0.851 415 D CB 0.481 41.316 40.800 0.059 0.000 0.976 415 D HN 0.483 nan 8.370 nan 0.000 0.505 416 G N 0.447 109.295 108.800 0.081 0.000 2.679 416 G HA2 -0.123 3.840 3.960 0.006 0.000 0.212 416 G HA3 -0.123 3.840 3.960 0.006 0.000 0.212 416 G C 1.601 176.595 174.900 0.157 0.000 1.137 416 G CA 0.988 46.146 45.100 0.097 0.000 0.787 416 G HN 0.329 nan 8.290 nan 0.000 0.534 417 V N -0.218 119.780 119.914 0.141 0.000 3.306 417 V HA 0.097 4.221 4.120 0.006 0.000 0.264 417 V C 2.397 178.659 176.094 0.279 0.000 1.149 417 V CA 1.357 63.758 62.300 0.169 0.000 1.143 417 V CB -0.377 31.474 31.823 0.047 0.000 0.767 417 V HN 0.475 nan 8.190 nan 0.000 0.476 418 R N 0.067 120.710 120.500 0.239 0.000 2.237 418 R HA -0.183 4.161 4.340 0.006 0.000 0.219 418 R C 2.315 178.733 176.300 0.197 0.000 1.080 418 R CA 1.625 57.856 56.100 0.219 0.000 0.995 418 R CB -0.996 29.394 30.300 0.150 0.000 0.875 418 R HN 0.788 nan 8.270 nan 0.000 0.462 419 H N 1.301 120.446 119.070 0.125 0.000 2.395 419 H HA -0.037 4.523 4.556 0.006 0.000 0.299 419 H C 1.650 177.048 175.328 0.118 0.000 1.070 419 H CA 1.548 57.650 56.048 0.090 0.000 1.356 419 H CB 0.292 30.097 29.762 0.072 0.000 1.401 419 H HN 0.241 nan 8.280 nan 0.000 0.524 420 I N 1.743 122.335 120.570 0.037 0.000 2.286 420 I HA -0.198 3.976 4.170 0.006 0.000 0.245 420 I C 2.738 179.028 176.117 0.287 0.000 1.104 420 I CA 1.223 62.602 61.300 0.131 0.000 1.397 420 I CB -1.168 37.016 38.000 0.307 0.000 1.072 420 I HN 0.275 nan 8.210 nan 0.000 0.417 421 R N 1.096 121.794 120.500 0.330 0.000 2.148 421 R HA -0.101 4.242 4.340 0.006 0.000 0.227 421 R C 1.696 178.028 176.300 0.053 0.000 1.103 421 R CA 1.363 57.590 56.100 0.212 0.000 0.983 421 R CB -0.428 29.918 30.300 0.077 0.000 0.874 421 R HN 0.203 nan 8.270 nan 0.000 0.451 422 D N 1.388 121.796 120.400 0.013 0.000 2.085 422 D HA -0.128 4.516 4.640 0.006 0.000 0.199 422 D C 2.063 178.292 176.300 -0.118 0.000 0.981 422 D CA 1.741 55.716 54.000 -0.042 0.000 0.834 422 D CB -0.142 40.645 40.800 -0.022 0.000 0.992 422 D HN 0.444 nan 8.370 nan 0.000 0.457 423 R N -0.224 120.117 120.500 -0.265 0.000 2.127 423 R HA -0.106 4.237 4.340 0.006 0.000 0.238 423 R C 1.647 177.624 176.300 -0.539 0.000 1.134 423 R CA 1.209 57.024 56.100 -0.475 0.000 0.975 423 R CB -0.810 29.017 30.300 -0.788 0.000 0.865 423 R HN 0.185 nan 8.270 nan 0.000 0.447 424 F N 1.364 121.268 119.950 -0.077 0.000 2.641 424 F HA 0.286 4.817 4.527 0.006 0.000 0.302 424 F C -0.111 175.678 175.800 -0.019 0.000 1.098 424 F CA -0.776 57.208 58.000 -0.026 0.000 1.318 424 F CB 0.134 39.148 39.000 0.023 0.000 1.035 424 F HN -0.061 nan 8.300 nan 0.000 0.551 425 N N 1.464 120.195 118.700 0.052 0.000 2.650 425 N HA -0.171 4.572 4.740 0.006 0.000 0.272 425 N C -0.712 174.797 175.510 -0.001 0.000 1.058 425 N CA 0.286 53.342 53.050 0.010 0.000 0.765 425 N CB -0.908 37.584 38.487 0.007 0.000 0.902 425 N HN 0.012 nan 8.380 nan 0.000 0.551 426 V N 2.284 122.159 119.914 -0.065 0.000 2.498 426 V HA 0.231 4.354 4.120 0.006 0.000 0.279 426 V C -1.424 174.490 176.094 -0.299 0.000 1.048 426 V CA -1.155 61.007 62.300 -0.230 0.000 0.967 426 V CB 1.533 33.061 31.823 -0.493 0.000 0.988 426 V HN 0.204 nan 8.190 nan 0.000 0.473 427 P HA 0.218 nan 4.420 nan 0.000 0.256 427 P C -0.790 176.353 177.300 -0.261 0.000 1.688 427 P CA 0.322 63.302 63.100 -0.199 0.000 1.162 427 P CB 0.652 32.285 31.700 -0.112 0.000 1.870 428 V N 2.393 122.149 119.914 -0.262 0.000 2.809 428 V HA 0.284 4.408 4.120 0.006 0.000 0.290 428 V C -0.223 175.797 176.094 -0.125 0.000 1.305 428 V CA -0.404 61.768 62.300 -0.212 0.000 0.939 428 V CB 1.773 33.394 31.823 -0.336 0.000 1.081 428 V HN 0.505 nan 8.190 nan 0.000 0.439 429 S N 3.411 119.076 115.700 -0.057 0.000 2.596 429 S HA 0.260 4.734 4.470 0.006 0.000 0.260 429 S C 0.660 175.267 174.600 0.012 0.000 1.336 429 S CA 0.741 58.929 58.200 -0.021 0.000 0.993 429 S CB 1.070 64.264 63.200 -0.011 0.000 0.923 429 S HN 0.932 nan 8.310 nan 0.000 0.567 430 D N 0.958 121.372 120.400 0.024 0.000 2.363 430 D HA 0.233 4.877 4.640 0.006 0.000 0.226 430 D C 1.447 177.770 176.300 0.039 0.000 1.020 430 D CA 0.781 54.809 54.000 0.046 0.000 0.892 430 D CB -0.324 40.502 40.800 0.043 0.000 0.900 430 D HN 0.559 nan 8.370 nan 0.000 0.531 431 A N 0.886 123.722 122.820 0.027 0.000 1.984 431 A HA -0.026 4.297 4.320 0.006 0.000 0.214 431 A C 1.206 178.806 177.584 0.026 0.000 1.173 431 A CA 0.559 52.609 52.037 0.022 0.000 0.673 431 A CB 0.249 19.257 19.000 0.013 0.000 0.830 431 A HN 0.150 nan 8.150 nan 0.000 0.453 432 D N -0.854 119.566 120.400 0.033 0.000 2.479 432 D HA 0.204 4.847 4.640 0.006 0.000 0.218 432 D C 1.206 177.553 176.300 0.078 0.000 1.177 432 D CA -0.164 53.860 54.000 0.040 0.000 0.830 432 D CB 0.112 40.929 40.800 0.029 0.000 1.014 432 D HN 0.418 nan 8.370 nan 0.000 0.503 433 I N 1.035 121.664 120.570 0.097 0.000 2.500 433 I HA -0.213 3.961 4.170 0.006 0.000 0.252 433 I C 1.606 177.787 176.117 0.107 0.000 1.142 433 I CA 1.076 62.478 61.300 0.170 0.000 1.451 433 I CB 0.288 38.395 38.000 0.178 0.000 1.093 433 I HN -0.149 nan 8.210 nan 0.000 0.430 434 E N 0.600 120.835 120.200 0.058 0.000 2.268 434 E HA -0.219 4.134 4.350 0.006 0.000 0.195 434 E C 1.879 178.478 176.600 -0.001 0.000 0.995 434 E CA 0.623 57.037 56.400 0.024 0.000 0.836 434 E CB -0.198 29.512 29.700 0.017 0.000 0.763 434 E HN 0.231 nan 8.360 nan 0.000 0.491 435 K N 1.326 121.729 120.400 0.005 0.000 2.486 435 K HA 0.004 4.327 4.320 0.006 0.000 0.194 435 K C -0.171 176.389 176.600 -0.068 0.000 1.033 435 K CA 0.114 56.387 56.287 -0.025 0.000 1.004 435 K CB -0.189 32.304 32.500 -0.010 0.000 0.798 435 K HN 0.184 nan 8.250 nan 0.000 0.495 436 L N 1.382 122.575 121.223 -0.050 0.000 3.895 436 L HA -0.174 4.170 4.340 0.006 0.000 0.511 436 L C -2.286 174.451 176.870 -0.222 0.000 1.222 436 L CA -0.454 54.300 54.840 -0.145 0.000 0.739 436 L CB -1.571 40.339 42.059 -0.249 0.000 1.425 436 L HN 0.147 nan 8.230 nan 0.000 0.817 437 P HA 0.172 nan 4.420 nan 0.000 0.278 437 P C -0.438 176.913 177.300 0.085 0.000 1.238 437 P CA -0.059 63.022 63.100 -0.032 0.000 0.794 437 P CB 0.603 32.352 31.700 0.081 0.000 0.955 438 Y N 0.704 121.091 120.300 0.144 0.000 2.301 438 Y HA 0.356 4.910 4.550 0.006 0.000 0.325 438 Y C 1.100 177.132 175.900 0.221 0.000 1.203 438 Y CA -0.641 57.551 58.100 0.154 0.000 1.255 438 Y CB 0.827 39.257 38.460 -0.051 0.000 1.232 438 Y HN 0.101 nan 8.280 nan 0.000 0.501 439 I N 2.673 123.500 120.570 0.429 0.000 2.354 439 I HA 0.307 4.480 4.170 0.006 0.000 0.292 439 I C -0.189 175.934 176.117 0.010 0.000 0.989 439 I CA -0.389 60.980 61.300 0.115 0.000 1.188 439 I CB 1.535 39.507 38.000 -0.047 0.000 1.342 439 I HN 0.660 nan 8.210 nan 0.000 0.457 440 T N 2.435 116.887 114.554 -0.170 0.000 2.906 440 T HA 0.618 4.972 4.350 0.006 0.000 0.295 440 T C -0.805 173.638 174.700 -0.427 0.000 1.075 440 T CA -0.684 61.248 62.100 -0.281 0.000 1.005 440 T CB 1.577 70.357 68.868 -0.145 0.000 1.136 440 T HN 0.180 nan 8.240 nan 0.000 0.498 441 F N 2.568 122.553 119.950 0.058 0.000 2.426 441 F HA 0.478 5.008 4.527 0.006 0.000 0.348 441 F C -1.890 173.944 175.800 0.057 0.000 1.124 441 F CA -2.292 55.761 58.000 0.090 0.000 1.008 441 F CB 1.898 40.988 39.000 0.150 0.000 1.139 441 F HN 0.406 nan 8.300 nan 0.000 0.452 442 P HA -0.028 nan 4.420 nan 0.000 0.271 442 P C -0.368 176.789 177.300 -0.238 0.000 1.216 442 P CA -0.223 62.856 63.100 -0.035 0.000 0.776 442 P CB 0.881 32.577 31.700 -0.007 0.000 0.881 443 E N 1.236 121.128 120.200 -0.514 0.000 2.529 443 E HA 0.082 4.435 4.350 0.006 0.000 0.259 443 E C 1.162 177.580 176.600 -0.303 0.000 0.966 443 E CA 1.459 57.361 56.400 -0.830 0.000 0.937 443 E CB -0.250 29.162 29.700 -0.480 0.000 0.923 443 E HN 0.821 nan 8.360 nan 0.000 0.468 444 G N 3.170 111.884 108.800 -0.144 0.000 2.254 444 G HA2 -0.305 3.659 3.960 0.006 0.000 0.225 444 G HA3 -0.305 3.659 3.960 0.006 0.000 0.225 444 G C 0.258 175.182 174.900 0.040 0.000 1.003 444 G CA 0.266 45.359 45.100 -0.011 0.000 0.622 444 G HN 0.807 nan 8.290 nan 0.000 0.507 445 S N 0.300 116.035 115.700 0.058 0.000 2.585 445 S HA 0.494 4.967 4.470 0.006 0.000 0.273 445 S C 1.032 175.690 174.600 0.098 0.000 1.339 445 S CA 0.695 58.950 58.200 0.092 0.000 1.028 445 S CB 2.064 65.354 63.200 0.150 0.000 0.906 445 S HN 0.402 nan 8.310 nan 0.000 0.528 446 E N 0.987 121.217 120.200 0.050 0.000 2.118 446 E HA -0.219 4.135 4.350 0.006 0.000 0.195 446 E C 1.542 178.139 176.600 -0.005 0.000 0.992 446 E CA 1.661 58.079 56.400 0.030 0.000 0.804 446 E CB -0.073 29.626 29.700 -0.001 0.000 0.741 446 E HN 0.832 nan 8.360 nan 0.000 0.458 447 E N -0.517 119.602 120.200 -0.136 0.000 2.047 447 E HA -0.181 4.172 4.350 0.006 0.000 0.191 447 E C 1.968 178.446 176.600 -0.203 0.000 0.987 447 E CA 1.064 57.228 56.400 -0.393 0.000 0.799 447 E CB -0.329 28.658 29.700 -1.188 0.000 0.752 447 E HN 0.324 nan 8.360 nan 0.000 0.449 448 H N 0.406 119.420 119.070 -0.093 0.000 2.290 448 H HA -0.105 4.454 4.556 0.006 0.000 0.298 448 H C 1.643 177.091 175.328 0.200 0.000 1.087 448 H CA 2.041 58.167 56.048 0.129 0.000 1.291 448 H CB 0.030 29.906 29.762 0.190 0.000 1.369 448 H HN 0.137 nan 8.280 nan 0.000 0.492 449 T N 0.324 115.032 114.554 0.257 0.000 2.684 449 T HA -0.215 4.139 4.350 0.006 0.000 0.267 449 T C 1.815 176.577 174.700 0.103 0.000 1.036 449 T CA 1.681 63.890 62.100 0.182 0.000 1.148 449 T CB -0.789 68.171 68.868 0.154 0.000 0.863 449 T HN 0.438 nan 8.240 nan 0.000 0.436 450 Y N 1.407 121.690 120.300 -0.028 0.000 2.200 450 Y HA -0.074 4.480 4.550 0.006 0.000 0.290 450 Y C 2.210 178.054 175.900 -0.094 0.000 1.137 450 Y CA 0.993 59.057 58.100 -0.059 0.000 1.163 450 Y CB -0.396 38.018 38.460 -0.076 0.000 0.988 450 Y HN 0.121 nan 8.280 nan 0.000 0.518 451 L N -0.252 120.995 121.223 0.040 0.000 2.012 451 L HA -0.276 4.067 4.340 0.006 0.000 0.210 451 L C 2.004 178.735 176.870 -0.232 0.000 1.073 451 L CA 2.392 57.163 54.840 -0.115 0.000 0.748 451 L CB -0.809 41.114 42.059 -0.227 0.000 0.891 451 L HN 0.275 nan 8.230 nan 0.000 0.431 452 H N -0.852 118.155 119.070 -0.104 0.000 2.436 452 H HA 0.130 4.690 4.556 0.006 0.000 0.294 452 H C 2.189 177.451 175.328 -0.111 0.000 1.048 452 H CA 1.075 57.092 56.048 -0.053 0.000 1.353 452 H CB -0.200 29.509 29.762 -0.090 0.000 1.414 452 H HN 0.530 nan 8.280 nan 0.000 0.536 453 A N 0.782 123.569 122.820 -0.055 0.000 1.902 453 A HA -0.204 4.120 4.320 0.006 0.000 0.217 453 A C 2.101 179.544 177.584 -0.237 0.000 1.181 453 A CA 1.390 53.343 52.037 -0.140 0.000 0.623 453 A CB -0.196 18.699 19.000 -0.175 0.000 0.818 453 A HN 0.289 nan 8.150 nan 0.000 0.443 454 Q N -0.528 119.063 119.800 -0.347 0.000 2.079 454 Q HA -0.104 4.240 4.340 0.006 0.000 0.200 454 Q C 2.204 178.060 176.000 -0.239 0.000 0.974 454 Q CA 1.108 56.690 55.803 -0.369 0.000 0.840 454 Q CB -0.414 28.047 28.738 -0.462 0.000 0.898 454 Q HN 0.476 nan 8.270 nan 0.000 0.430 455 R N 0.539 120.920 120.500 -0.198 0.000 2.092 455 R HA -0.037 4.306 4.340 0.006 0.000 0.231 455 R C 2.097 178.231 176.300 -0.277 0.000 1.119 455 R CA 0.824 56.789 56.100 -0.225 0.000 0.970 455 R CB -0.364 29.737 30.300 -0.332 0.000 0.864 455 R HN 0.306 nan 8.270 nan 0.000 0.440 456 Q N 0.867 120.528 119.800 -0.233 0.000 2.124 456 Q HA -0.070 4.273 4.340 0.006 0.000 0.202 456 Q C 1.877 177.752 176.000 -0.209 0.000 0.977 456 Q CA 1.277 56.962 55.803 -0.196 0.000 0.850 456 Q CB -0.136 28.534 28.738 -0.114 0.000 0.901 456 Q HN 0.317 nan 8.270 nan 0.000 0.429 457 K N 0.057 120.336 120.400 -0.202 0.000 2.209 457 K HA -0.044 4.280 4.320 0.006 0.000 0.204 457 K C 1.208 177.669 176.600 -0.232 0.000 1.048 457 K CA 0.590 56.751 56.287 -0.211 0.000 0.940 457 K CB 0.077 32.465 32.500 -0.187 0.000 0.729 457 K HN 0.141 nan 8.250 nan 0.000 0.451 458 L N 0.110 121.225 121.223 -0.180 0.000 2.848 458 L HA 0.151 4.495 4.340 0.006 0.000 0.240 458 L C -0.542 176.328 176.870 0.001 0.000 1.232 458 L CA -0.021 54.770 54.840 -0.082 0.000 1.031 458 L CB -0.373 41.677 42.059 -0.014 0.000 1.338 458 L HN 0.319 nan 8.230 nan 0.000 0.509 459 H N -1.097 117.927 119.070 -0.076 0.000 3.080 459 H HA -0.147 4.413 4.556 0.006 0.000 0.254 459 H C 0.949 176.202 175.328 -0.124 0.000 1.179 459 H CA 0.670 56.675 56.048 -0.072 0.000 1.144 459 H CB -1.029 28.719 29.762 -0.023 0.000 1.261 459 H HN 0.659 nan 8.280 nan 0.000 0.333 460 G N -1.941 106.748 108.800 -0.185 0.000 2.337 460 G HA2 -0.042 3.922 3.960 0.006 0.000 0.197 460 G HA3 -0.042 3.922 3.960 0.006 0.000 0.197 460 G C -1.266 173.268 174.900 -0.609 0.000 1.238 460 G CA -0.505 44.327 45.100 -0.446 0.000 1.119 460 G HN 0.221 nan 8.290 nan 0.000 0.514 461 Y N 0.254 120.602 120.300 0.079 0.000 2.457 461 Y HA 0.807 5.360 4.550 0.006 0.000 0.333 461 Y C 0.832 176.763 175.900 0.052 0.000 1.119 461 Y CA -0.460 57.683 58.100 0.071 0.000 1.143 461 Y CB 1.842 40.314 38.460 0.021 0.000 1.230 461 Y HN 0.867 nan 8.280 nan 0.000 0.469 462 L N 0.556 121.919 121.223 0.233 0.000 2.518 462 L HA 0.824 5.167 4.340 0.006 0.000 0.257 462 L C -3.152 173.752 176.870 0.057 0.000 0.980 462 L CA -2.361 52.538 54.840 0.099 0.000 0.837 462 L CB 2.580 44.724 42.059 0.141 0.000 1.410 462 L HN 0.267 nan 8.230 nan 0.000 0.410 463 P HA 0.343 nan 4.420 nan 0.000 0.274 463 P C -0.971 175.957 177.300 -0.620 0.000 1.237 463 P CA -0.155 62.695 63.100 -0.417 0.000 0.793 463 P CB 1.643 33.009 31.700 -0.556 0.000 0.977 464 S N 0.707 116.192 115.700 -0.358 0.000 2.547 464 S HA 0.667 5.140 4.470 0.006 0.000 0.270 464 S C -1.239 173.261 174.600 -0.166 0.000 1.150 464 S CA -0.920 57.129 58.200 -0.252 0.000 0.850 464 S CB 2.256 65.394 63.200 -0.104 0.000 1.118 464 S HN 0.663 nan 8.310 nan 0.000 0.461 465 R N 1.051 121.489 120.500 -0.104 0.000 2.651 465 R HA 0.436 4.780 4.340 0.006 0.000 0.278 465 R C -1.642 174.638 176.300 -0.033 0.000 1.010 465 R CA -0.466 55.583 56.100 -0.085 0.000 0.896 465 R CB 1.888 32.135 30.300 -0.089 0.000 1.211 465 R HN 0.872 nan 8.270 nan 0.000 0.456 466 Q N 5.957 125.739 119.800 -0.029 0.000 2.347 466 Q HA 0.326 4.670 4.340 0.006 0.000 0.262 466 Q C -2.133 173.884 176.000 0.027 0.000 0.980 466 Q CA -2.075 53.733 55.803 0.009 0.000 0.867 466 Q CB 1.987 30.739 28.738 0.024 0.000 1.242 466 Q HN 0.394 nan 8.270 nan 0.000 0.453 467 P HA -0.044 nan 4.420 nan 0.000 0.220 467 P C -0.594 176.819 177.300 0.187 0.000 1.148 467 P CA 1.000 64.159 63.100 0.098 0.000 0.803 467 P CB 0.372 32.107 31.700 0.059 0.000 0.782 468 N N -0.890 117.885 118.700 0.125 0.000 2.262 468 N HA 0.292 5.036 4.740 0.006 0.000 0.295 468 N C -0.559 175.039 175.510 0.147 0.000 1.161 468 N CA -0.702 52.394 53.050 0.076 0.000 0.767 468 N CB 1.368 39.778 38.487 -0.128 0.000 1.499 468 N HN -0.089 nan 8.380 nan 0.000 0.476 469 F N -1.128 118.947 119.950 0.208 0.000 2.382 469 F HA 0.435 4.965 4.527 0.006 0.000 0.331 469 F C 1.808 177.671 175.800 0.105 0.000 1.121 469 F CA -0.684 57.423 58.000 0.178 0.000 1.183 469 F CB 0.152 39.294 39.000 0.237 0.000 1.207 469 F HN 0.493 nan 8.300 nan 0.000 0.555 470 T N -2.287 112.452 114.554 0.307 0.000 3.009 470 T HA 0.046 4.400 4.350 0.006 0.000 0.258 470 T C 0.480 175.313 174.700 0.222 0.000 1.063 470 T CA 0.357 62.561 62.100 0.173 0.000 1.139 470 T CB -0.637 68.306 68.868 0.125 0.000 0.890 470 T HN 0.820 nan 8.240 nan 0.000 0.471 471 E N 1.441 121.850 120.200 0.347 0.000 2.392 471 E HA 0.192 4.546 4.350 0.006 0.000 0.259 471 E C -0.377 176.434 176.600 0.351 0.000 1.108 471 E CA -0.766 55.800 56.400 0.277 0.000 0.916 471 E CB 0.667 30.487 29.700 0.200 0.000 0.989 471 E HN 0.326 nan 8.360 nan 0.000 0.432 472 K N 3.204 123.737 120.400 0.222 0.000 2.235 472 K HA 0.296 4.619 4.320 0.006 0.000 0.266 472 K C -0.947 175.762 176.600 0.181 0.000 0.980 472 K CA -0.612 55.803 56.287 0.214 0.000 0.849 472 K CB 0.774 33.351 32.500 0.128 0.000 1.098 472 K HN 0.534 nan 8.250 nan 0.000 0.445 473 L N 2.921 124.272 121.223 0.212 0.000 2.343 473 L HA 0.313 4.657 4.340 0.006 0.000 0.275 473 L C 0.265 177.209 176.870 0.122 0.000 1.056 473 L CA -0.756 54.169 54.840 0.142 0.000 0.804 473 L CB 1.361 43.506 42.059 0.143 0.000 1.203 473 L HN 0.546 nan 8.230 nan 0.000 0.440 474 E N 2.990 123.244 120.200 0.090 0.000 2.206 474 E HA 0.254 4.607 4.350 0.006 0.000 0.244 474 E C -0.620 176.033 176.600 0.089 0.000 1.055 474 E CA -0.675 55.774 56.400 0.081 0.000 0.970 474 E CB 0.547 30.282 29.700 0.058 0.000 1.256 474 E HN 0.239 nan 8.360 nan 0.000 0.456 475 L N 3.438 124.731 121.223 0.117 0.000 2.483 475 L HA 0.130 4.473 4.340 0.006 0.000 0.275 475 L C -1.691 175.276 176.870 0.162 0.000 1.220 475 L CA -1.515 53.410 54.840 0.143 0.000 0.833 475 L CB -0.606 41.548 42.059 0.158 0.000 1.102 475 L HN 0.177 nan 8.230 nan 0.000 0.490 476 P HA 0.142 nan 4.420 nan 0.000 0.272 476 P C -0.637 176.874 177.300 0.351 0.000 1.223 476 P CA -0.443 62.768 63.100 0.186 0.000 0.784 476 P CB 0.665 32.434 31.700 0.114 0.000 0.923 477 S N 1.585 117.412 115.700 0.213 0.000 2.681 477 S HA 0.144 4.617 4.470 0.006 0.000 0.270 477 S C 1.162 175.805 174.600 0.072 0.000 1.209 477 S CA -0.655 57.648 58.200 0.173 0.000 0.988 477 S CB 0.249 63.489 63.200 0.065 0.000 1.006 477 S HN 0.344 nan 8.310 nan 0.000 0.558 478 L N 0.853 121.871 121.223 -0.341 0.000 2.093 478 L HA 0.005 4.348 4.340 0.006 0.000 0.208 478 L C 2.587 179.474 176.870 0.029 0.000 1.085 478 L CA 1.733 56.363 54.840 -0.349 0.000 0.755 478 L CB -1.338 40.441 42.059 -0.467 0.000 0.904 478 L HN 0.861 nan 8.230 nan 0.000 0.435 479 Q N -0.569 119.220 119.800 -0.018 0.000 2.181 479 Q HA -0.231 4.113 4.340 0.006 0.000 0.205 479 Q C 1.664 177.655 176.000 -0.015 0.000 0.980 479 Q CA 1.730 57.529 55.803 -0.008 0.000 0.862 479 Q CB -0.170 28.556 28.738 -0.020 0.000 0.905 479 Q HN 0.522 nan 8.270 nan 0.000 0.429 480 D N -0.356 120.017 120.400 -0.044 0.000 2.265 480 D HA -0.133 4.511 4.640 0.006 0.000 0.208 480 D C 0.503 176.596 176.300 -0.346 0.000 0.977 480 D CA 1.005 54.877 54.000 -0.213 0.000 0.871 480 D CB 0.003 40.615 40.800 -0.312 0.000 0.925 480 D HN 0.255 nan 8.370 nan 0.000 0.485 481 F N -0.313 119.604 119.950 -0.055 0.000 2.660 481 F HA 0.289 4.820 4.527 0.006 0.000 0.302 481 F C 2.233 178.008 175.800 -0.041 0.000 1.103 481 F CA -0.403 57.570 58.000 -0.045 0.000 1.340 481 F CB -0.022 38.957 39.000 -0.034 0.000 1.048 481 F HN -0.126 nan 8.300 nan 0.000 0.551 482 G N 0.703 109.544 108.800 0.068 0.000 2.503 482 G HA2 -0.343 3.621 3.960 0.006 0.000 0.221 482 G HA3 -0.343 3.621 3.960 0.006 0.000 0.221 482 G C 1.947 176.863 174.900 0.027 0.000 1.131 482 G CA 1.060 46.179 45.100 0.032 0.000 0.756 482 G HN 0.441 nan 8.290 nan 0.000 0.572 483 A N -0.031 122.799 122.820 0.017 0.000 1.972 483 A HA 0.110 4.434 4.320 0.006 0.000 0.219 483 A C 2.217 179.823 177.584 0.036 0.000 1.169 483 A CA 1.327 53.371 52.037 0.011 0.000 0.635 483 A CB -0.242 18.753 19.000 -0.009 0.000 0.810 483 A HN 0.315 nan 8.150 nan 0.000 0.446 484 L N -0.624 120.644 121.223 0.075 0.000 2.478 484 L HA 0.094 4.438 4.340 0.006 0.000 0.223 484 L C 1.968 178.914 176.870 0.127 0.000 1.140 484 L CA 0.952 55.852 54.840 0.101 0.000 0.842 484 L CB -0.402 41.741 42.059 0.140 0.000 0.953 484 L HN 0.360 nan 8.230 nan 0.000 0.452 485 L N -1.425 119.854 121.223 0.094 0.000 2.509 485 L HA 0.060 4.404 4.340 0.006 0.000 0.222 485 L C 0.770 177.637 176.870 -0.006 0.000 1.123 485 L CA 0.049 54.925 54.840 0.060 0.000 0.856 485 L CB -0.167 41.895 42.059 0.005 0.000 0.985 485 L HN 0.250 nan 8.230 nan 0.000 0.456 486 E N 0.699 120.904 120.200 0.008 0.000 2.322 486 E HA 0.125 4.478 4.350 0.006 0.000 0.257 486 E C -0.165 176.434 176.600 -0.001 0.000 1.155 486 E CA -0.595 55.796 56.400 -0.014 0.000 0.936 486 E CB 0.808 30.503 29.700 -0.008 0.000 1.130 486 E HN 0.072 nan 8.360 nan 0.000 0.465 487 E N 1.235 121.426 120.200 -0.014 0.000 2.384 487 E HA -0.062 4.292 4.350 0.006 0.000 0.266 487 E C -0.567 176.020 176.600 -0.022 0.000 1.012 487 E CA -0.440 55.943 56.400 -0.029 0.000 0.901 487 E CB 0.603 30.313 29.700 0.017 0.000 0.967 487 E HN 0.197 nan 8.360 nan 0.000 0.435 488 Q N 2.422 122.185 119.800 -0.062 0.000 2.299 488 Q HA 0.101 4.445 4.340 0.006 0.000 0.246 488 Q C 0.711 176.715 176.000 0.007 0.000 0.935 488 Q CA -0.066 55.720 55.803 -0.028 0.000 0.887 488 Q CB 1.753 30.467 28.738 -0.040 0.000 1.223 488 Q HN 0.622 nan 8.270 nan 0.000 0.439 489 S N 1.707 117.418 115.700 0.019 0.000 2.343 489 S HA -0.143 4.330 4.470 0.006 0.000 0.219 489 S C 0.721 175.353 174.600 0.053 0.000 1.033 489 S CA 1.527 59.749 58.200 0.036 0.000 1.014 489 S CB 0.033 63.245 63.200 0.021 0.000 0.915 489 S HN 0.589 nan 8.310 nan 0.000 0.435 490 K N 1.272 121.694 120.400 0.036 0.000 2.211 490 K HA 0.459 4.782 4.320 0.006 0.000 0.237 490 K C -1.066 175.559 176.600 0.043 0.000 1.002 490 K CA -0.756 55.557 56.287 0.045 0.000 0.885 490 K CB 0.967 33.482 32.500 0.025 0.000 1.136 490 K HN -0.051 nan 8.250 nan 0.000 0.448 491 E N 1.529 121.764 120.200 0.059 0.000 2.299 491 E HA 0.137 4.490 4.350 0.006 0.000 0.272 491 E C -0.106 176.486 176.600 -0.012 0.000 1.043 491 E CA -0.146 56.285 56.400 0.052 0.000 0.895 491 E CB 0.316 30.069 29.700 0.088 0.000 1.011 491 E HN 0.505 nan 8.360 nan 0.000 0.432 492 I N -1.014 119.516 120.570 -0.065 0.000 3.322 492 I HA 0.578 4.751 4.170 0.006 0.000 0.313 492 I C -0.096 175.896 176.117 -0.208 0.000 1.129 492 I CA -1.040 60.202 61.300 -0.096 0.000 0.963 492 I CB 1.997 39.960 38.000 -0.061 0.000 1.273 492 I HN 0.376 nan 8.210 nan 0.000 0.473 493 S N -0.615 114.979 115.700 -0.176 0.000 2.747 493 S HA 0.401 4.874 4.470 0.006 0.000 0.300 493 S C 0.825 175.344 174.600 -0.135 0.000 1.121 493 S CA 0.150 58.209 58.200 -0.235 0.000 0.995 493 S CB 1.256 64.372 63.200 -0.140 0.000 1.113 493 S HN 0.850 nan 8.310 nan 0.000 0.547 494 T N -2.219 112.273 114.554 -0.104 0.000 3.055 494 T HA -0.000 4.353 4.350 0.006 0.000 0.265 494 T C 1.497 176.224 174.700 0.045 0.000 1.111 494 T CA 1.299 63.389 62.100 -0.016 0.000 1.118 494 T CB -0.979 67.892 68.868 0.005 0.000 0.909 494 T HN 0.607 nan 8.240 nan 0.000 0.501 495 T N 1.931 116.509 114.554 0.040 0.000 2.896 495 T HA 0.237 4.591 4.350 0.006 0.000 0.263 495 T C 1.836 176.629 174.700 0.154 0.000 1.050 495 T CA 0.605 62.779 62.100 0.125 0.000 1.140 495 T CB -0.317 68.615 68.868 0.108 0.000 0.877 495 T HN 0.348 nan 8.240 nan 0.000 0.457 496 I N 1.388 121.990 120.570 0.054 0.000 2.394 496 I HA -0.143 4.030 4.170 0.006 0.000 0.251 496 I C 2.783 178.903 176.117 0.004 0.000 1.136 496 I CA 0.858 62.167 61.300 0.015 0.000 1.425 496 I CB -0.313 37.675 38.000 -0.020 0.000 1.079 496 I HN 0.186 nan 8.210 nan 0.000 0.425 497 A N 0.691 123.526 122.820 0.024 0.000 1.898 497 A HA -0.254 4.069 4.320 0.006 0.000 0.216 497 A C 2.209 179.813 177.584 0.033 0.000 1.181 497 A CA 1.453 53.505 52.037 0.026 0.000 0.620 497 A CB -0.918 18.103 19.000 0.036 0.000 0.819 497 A HN 0.499 nan 8.150 nan 0.000 0.442 498 F N 0.914 120.837 119.950 -0.046 0.000 2.102 498 F HA -0.138 4.392 4.527 0.006 0.000 0.298 498 F C 2.045 177.789 175.800 -0.093 0.000 1.105 498 F CA 1.979 59.939 58.000 -0.067 0.000 1.239 498 F CB -0.540 38.425 39.000 -0.059 0.000 0.991 498 F HN 0.005 nan 8.300 nan 0.000 0.474 499 V N 1.337 120.952 119.914 -0.499 0.000 2.407 499 V HA -0.264 3.859 4.120 0.006 0.000 0.248 499 V C 2.552 178.410 176.094 -0.393 0.000 1.055 499 V CA 2.222 64.176 62.300 -0.577 0.000 1.049 499 V CB -0.758 30.929 31.823 -0.227 0.000 0.662 499 V HN 0.311 nan 8.190 nan 0.000 0.455 500 R N 0.055 120.422 120.500 -0.222 0.000 2.120 500 R HA -0.080 4.263 4.340 0.006 0.000 0.234 500 R C 2.391 178.614 176.300 -0.127 0.000 1.123 500 R CA 1.344 57.359 56.100 -0.142 0.000 0.975 500 R CB -0.481 29.779 30.300 -0.066 0.000 0.866 500 R HN 0.546 nan 8.270 nan 0.000 0.446 501 A N 1.014 123.756 122.820 -0.130 0.000 1.929 501 A HA -0.120 4.203 4.320 0.006 0.000 0.216 501 A C 2.008 179.522 177.584 -0.117 0.000 1.176 501 A CA 0.815 52.870 52.037 0.030 0.000 0.628 501 A CB -0.334 18.664 19.000 -0.003 0.000 0.816 501 A HN 0.156 nan 8.150 nan 0.000 0.444 502 L N 0.530 121.479 121.223 -0.458 0.000 2.083 502 L HA -0.158 4.185 4.340 0.006 0.000 0.209 502 L C 1.843 178.516 176.870 -0.328 0.000 1.083 502 L CA 2.140 56.639 54.840 -0.570 0.000 0.752 502 L CB -1.076 40.497 42.059 -0.811 0.000 0.899 502 L HN 0.462 nan 8.230 nan 0.000 0.433 503 N N -1.764 116.776 118.700 -0.265 0.000 2.244 503 N HA -0.149 4.594 4.740 0.006 0.000 0.183 503 N C 1.797 177.198 175.510 -0.182 0.000 1.016 503 N CA 1.170 54.107 53.050 -0.189 0.000 0.866 503 N CB 0.022 38.414 38.487 -0.158 0.000 0.980 503 N HN 0.158 nan 8.380 nan 0.000 0.430 504 V N 0.818 120.604 119.914 -0.212 0.000 2.358 504 V HA -0.221 3.903 4.120 0.006 0.000 0.246 504 V C 2.023 177.938 176.094 -0.298 0.000 1.047 504 V CA 1.498 63.594 62.300 -0.340 0.000 1.035 504 V CB -0.366 31.044 31.823 -0.689 0.000 0.658 504 V HN 0.383 nan 8.190 nan 0.000 0.452 505 M N -0.838 118.648 119.600 -0.190 0.000 2.159 505 M HA -0.128 4.356 4.480 0.006 0.000 0.263 505 M C 1.987 178.232 176.300 -0.090 0.000 1.063 505 M CA 1.732 56.978 55.300 -0.091 0.000 1.110 505 M CB -0.408 32.167 32.600 -0.042 0.000 1.374 505 M HN 0.241 nan 8.290 nan 0.000 0.411 506 L N -0.109 121.044 121.223 -0.115 0.000 2.633 506 L HA -0.136 4.208 4.340 0.006 0.000 0.235 506 L C 1.816 178.642 176.870 -0.073 0.000 1.163 506 L CA 0.844 55.635 54.840 -0.082 0.000 0.859 506 L CB -0.324 41.681 42.059 -0.089 0.000 0.973 506 L HN 0.294 nan 8.230 nan 0.000 0.451 507 K N -0.934 119.409 120.400 -0.095 0.000 2.360 507 K HA 0.063 4.386 4.320 0.006 0.000 0.196 507 K C 0.692 177.249 176.600 -0.072 0.000 1.049 507 K CA -0.215 56.021 56.287 -0.085 0.000 1.049 507 K CB 0.325 32.759 32.500 -0.109 0.000 0.881 507 K HN 0.142 nan 8.250 nan 0.000 0.542 508 N N 2.533 121.192 118.700 -0.068 0.000 2.420 508 N HA -0.050 4.694 4.740 0.006 0.000 0.262 508 N C 0.759 176.256 175.510 -0.022 0.000 1.144 508 N CA 0.290 53.315 53.050 -0.041 0.000 0.952 508 N CB 0.956 39.430 38.487 -0.022 0.000 1.081 508 N HN 0.009 nan 8.380 nan 0.000 0.480 509 K N 2.723 123.113 120.400 -0.017 0.000 2.063 509 K HA -0.154 4.170 4.320 0.006 0.000 0.208 509 K C 1.488 178.087 176.600 -0.002 0.000 1.048 509 K CA 1.186 57.467 56.287 -0.010 0.000 0.928 509 K CB -0.188 32.308 32.500 -0.007 0.000 0.713 509 K HN 0.530 nan 8.250 nan 0.000 0.442 510 S N 0.876 116.580 115.700 0.007 0.000 2.348 510 S HA -0.117 4.356 4.470 0.006 0.000 0.221 510 S C 1.939 176.543 174.600 0.007 0.000 1.033 510 S CA 1.556 59.764 58.200 0.015 0.000 1.010 510 S CB -0.169 63.050 63.200 0.033 0.000 0.891 510 S HN 0.509 nan 8.310 nan 0.000 0.442 511 I N -0.853 119.722 120.570 0.010 0.000 4.057 511 I HA 0.284 4.458 4.170 0.006 0.000 0.334 511 I C 1.655 177.776 176.117 0.007 0.000 1.308 511 I CA -0.028 61.274 61.300 0.003 0.000 1.125 511 I CB -0.149 37.863 38.000 0.019 0.000 1.034 511 I HN 0.143 nan 8.210 nan 0.000 0.401 512 K N 1.210 121.610 120.400 0.001 0.000 2.089 512 K HA -0.202 4.121 4.320 0.006 0.000 0.210 512 K C 1.000 177.607 176.600 0.013 0.000 1.048 512 K CA 2.293 58.579 56.287 -0.002 0.000 0.926 512 K CB -0.600 31.891 32.500 -0.015 0.000 0.714 512 K HN 0.306 nan 8.250 nan 0.000 0.448 513 D N -0.111 120.292 120.400 0.005 0.000 2.340 513 D HA 0.019 4.663 4.640 0.006 0.000 0.220 513 D C 1.406 177.717 176.300 0.019 0.000 1.039 513 D CA 0.269 54.272 54.000 0.006 0.000 0.866 513 D CB 0.275 41.063 40.800 -0.020 0.000 0.913 513 D HN 0.216 nan 8.370 nan 0.000 0.523 514 R N 0.146 120.658 120.500 0.020 0.000 2.280 514 R HA 0.190 4.533 4.340 0.006 0.000 0.195 514 R C 0.861 177.206 176.300 0.076 0.000 0.935 514 R CA -0.099 56.014 56.100 0.022 0.000 1.033 514 R CB 0.199 30.467 30.300 -0.053 0.000 0.964 514 R HN 0.194 nan 8.270 nan 0.000 0.489 515 L N 1.415 122.704 121.223 0.111 0.000 2.426 515 L HA 0.150 4.493 4.340 0.006 0.000 0.271 515 L C 0.148 177.173 176.870 0.259 0.000 1.169 515 L CA -0.174 54.788 54.840 0.203 0.000 0.836 515 L CB 0.920 43.076 42.059 0.161 0.000 1.112 515 L HN -0.263 nan 8.230 nan 0.000 0.465 516 V N 3.339 123.450 119.914 0.328 0.000 2.383 516 V HA 0.233 4.357 4.120 0.006 0.000 0.264 516 V C -2.327 173.981 176.094 0.357 0.000 1.001 516 V CA -1.477 61.010 62.300 0.311 0.000 0.828 516 V CB 1.011 32.987 31.823 0.255 0.000 1.069 516 V HN 0.600 nan 8.190 nan 0.000 0.451 517 P HA 0.383 nan 4.420 nan 0.000 0.271 517 P C -0.531 176.973 177.300 0.339 0.000 1.220 517 P CA 0.274 63.598 63.100 0.373 0.000 0.768 517 P CB 0.738 32.603 31.700 0.276 0.000 0.848 518 I N 4.593 125.396 120.570 0.389 0.000 2.498 518 I HA 0.484 4.657 4.170 0.006 0.000 0.290 518 I C 0.064 176.432 176.117 0.419 0.000 1.032 518 I CA -0.983 60.507 61.300 0.317 0.000 1.073 518 I CB 1.785 39.907 38.000 0.204 0.000 1.251 518 I HN 0.210 nan 8.210 nan 0.000 0.426 519 I N 2.188 122.969 120.570 0.352 0.000 2.934 519 I HA 0.814 4.988 4.170 0.006 0.000 0.306 519 I C -0.772 175.558 176.117 0.355 0.000 1.110 519 I CA -0.956 60.591 61.300 0.411 0.000 1.019 519 I CB 2.203 40.446 38.000 0.405 0.000 1.227 519 I HN 0.606 nan 8.210 nan 0.000 0.434 520 A N 3.244 126.318 122.820 0.424 0.000 2.801 520 A HA 0.576 4.899 4.320 0.006 0.000 0.344 520 A C 0.336 178.116 177.584 0.327 0.000 1.322 520 A CA 0.260 52.494 52.037 0.328 0.000 0.913 520 A CB -0.373 18.844 19.000 0.361 0.000 1.140 520 A HN 0.997 nan 8.150 nan 0.000 0.487 521 D N 0.611 121.178 120.400 0.278 0.000 4.295 521 D HA -0.224 4.420 4.640 0.006 0.000 0.191 521 D C 0.256 176.746 176.300 0.316 0.000 1.005 521 D CA 2.338 56.490 54.000 0.255 0.000 2.235 521 D CB -1.277 39.650 40.800 0.211 0.000 1.149 521 D HN 0.629 nan 8.370 nan 0.000 0.414 522 E N 0.332 120.753 120.200 0.368 0.000 2.498 522 E HA 0.407 4.760 4.350 0.006 0.000 0.252 522 E C 0.493 177.354 176.600 0.435 0.000 1.025 522 E CA 0.808 57.426 56.400 0.363 0.000 0.938 522 E CB 0.657 30.612 29.700 0.425 0.000 0.947 522 E HN 0.412 nan 8.360 nan 0.000 0.478 523 A N 4.112 127.117 122.820 0.308 0.000 1.975 523 A HA 0.118 4.442 4.320 0.006 0.000 0.197 523 A C 1.846 179.481 177.584 0.086 0.000 1.537 523 A CA 0.199 52.390 52.037 0.256 0.000 0.972 523 A CB 0.030 19.162 19.000 0.220 0.000 1.019 523 A HN 0.539 nan 8.150 nan 0.000 0.488 524 R N 0.101 120.630 120.500 0.049 0.000 2.105 524 R HA -0.106 4.237 4.340 0.006 0.000 0.239 524 R C 1.879 178.117 176.300 -0.104 0.000 1.135 524 R CA 2.193 58.283 56.100 -0.017 0.000 0.967 524 R CB -0.520 29.790 30.300 0.018 0.000 0.861 524 R HN 0.452 nan 8.270 nan 0.000 0.442 525 T N -0.239 114.180 114.554 -0.224 0.000 2.849 525 T HA -0.138 4.216 4.350 0.006 0.000 0.270 525 T C 0.676 174.976 174.700 -0.666 0.000 1.066 525 T CA 1.317 63.106 62.100 -0.520 0.000 1.130 525 T CB -0.125 68.231 68.868 -0.853 0.000 0.864 525 T HN 0.234 nan 8.240 nan 0.000 0.481 526 F N -0.046 119.869 119.950 -0.059 0.000 2.639 526 F HA 0.422 4.952 4.527 0.006 0.000 0.302 526 F C 1.634 177.415 175.800 -0.032 0.000 1.097 526 F CA -0.516 57.450 58.000 -0.056 0.000 1.294 526 F CB 0.124 39.098 39.000 -0.042 0.000 1.027 526 F HN 0.157 nan 8.300 nan 0.000 0.550 527 G N 0.856 109.680 108.800 0.039 0.000 2.283 527 G HA2 -0.310 3.653 3.960 0.006 0.000 0.280 527 G HA3 -0.310 3.653 3.960 0.006 0.000 0.280 527 G C 0.968 175.840 174.900 -0.046 0.000 1.029 527 G CA 0.471 45.566 45.100 -0.009 0.000 0.840 527 G HN 0.223 nan 8.290 nan 0.000 0.505 528 M N 0.226 119.781 119.600 -0.076 0.000 2.514 528 M HA 0.051 4.534 4.480 0.006 0.000 0.258 528 M C 2.408 178.353 176.300 -0.591 0.000 1.119 528 M CA 1.316 56.481 55.300 -0.224 0.000 1.111 528 M CB -0.495 32.028 32.600 -0.129 0.000 1.390 528 M HN 0.621 nan 8.290 nan 0.000 0.475 529 E N 0.456 120.324 120.200 -0.552 0.000 2.333 529 E HA -0.173 4.180 4.350 0.006 0.000 0.200 529 E C 1.657 178.093 176.600 -0.274 0.000 1.010 529 E CA 1.737 57.788 56.400 -0.582 0.000 0.841 529 E CB -0.760 28.870 29.700 -0.116 0.000 0.757 529 E HN 0.480 nan 8.360 nan 0.000 0.508 530 G N 1.249 109.929 108.800 -0.200 0.000 2.464 530 G HA2 -0.052 3.911 3.960 0.006 0.000 0.217 530 G HA3 -0.052 3.911 3.960 0.006 0.000 0.217 530 G C 1.732 176.604 174.900 -0.046 0.000 1.138 530 G CA 0.319 45.371 45.100 -0.079 0.000 0.793 530 G HN 0.238 nan 8.290 nan 0.000 0.539 531 L N -0.200 120.964 121.223 -0.099 0.000 2.395 531 L HA 0.143 4.487 4.340 0.006 0.000 0.218 531 L C 2.328 179.295 176.870 0.161 0.000 1.130 531 L CA -0.066 54.771 54.840 -0.005 0.000 0.826 531 L CB -0.323 41.715 42.059 -0.034 0.000 0.941 531 L HN 0.008 nan 8.230 nan 0.000 0.451 532 F N 0.986 120.963 119.950 0.046 0.000 2.202 532 F HA -0.179 4.352 4.527 0.006 0.000 0.301 532 F C 2.569 178.393 175.800 0.040 0.000 1.082 532 F CA 1.235 59.267 58.000 0.054 0.000 1.313 532 F CB -0.618 38.417 39.000 0.058 0.000 1.024 532 F HN 0.069 nan 8.300 nan 0.000 0.495 533 R N -0.261 120.375 120.500 0.225 0.000 2.173 533 R HA -0.045 4.298 4.340 0.006 0.000 0.208 533 R C 1.984 178.335 176.300 0.085 0.000 1.035 533 R CA 0.914 57.088 56.100 0.125 0.000 1.004 533 R CB -0.201 30.152 30.300 0.089 0.000 0.917 533 R HN 0.418 nan 8.270 nan 0.000 0.462 534 Q N 0.592 120.440 119.800 0.079 0.000 2.165 534 Q HA 0.044 4.388 4.340 0.006 0.000 0.197 534 Q C 1.942 177.976 176.000 0.057 0.000 0.952 534 Q CA 0.995 56.827 55.803 0.049 0.000 0.848 534 Q CB 0.018 28.769 28.738 0.022 0.000 0.931 534 Q HN 0.440 nan 8.270 nan 0.000 0.470 535 I N -3.315 117.308 120.570 0.088 0.000 4.181 535 I HA 0.487 4.661 4.170 0.006 0.000 0.331 535 I C 0.783 176.973 176.117 0.121 0.000 1.312 535 I CA 0.083 61.439 61.300 0.094 0.000 1.146 535 I CB 0.425 38.483 38.000 0.098 0.000 1.074 535 I HN 0.149 nan 8.210 nan 0.000 0.402 536 G N 2.518 111.404 108.800 0.144 0.000 2.860 536 G HA2 -0.187 3.776 3.960 0.006 0.000 0.553 536 G HA3 -0.187 3.776 3.960 0.006 0.000 0.553 536 G C -0.948 174.030 174.900 0.131 0.000 1.439 536 G CA -0.360 44.809 45.100 0.115 0.000 0.879 536 G HN 0.285 nan 8.290 nan 0.000 0.545 537 I N 0.248 120.837 120.570 0.030 0.000 2.404 537 I HA 0.366 4.540 4.170 0.006 0.000 0.293 537 I C 0.235 176.417 176.117 0.108 0.000 0.992 537 I CA -0.807 60.509 61.300 0.026 0.000 1.149 537 I CB 1.690 39.569 38.000 -0.201 0.000 1.315 537 I HN 0.592 nan 8.210 nan 0.000 0.446 538 Y N 5.933 126.279 120.300 0.078 0.000 2.677 538 Y HA 0.223 4.776 4.550 0.006 0.000 0.335 538 Y C 0.282 176.199 175.900 0.028 0.000 1.162 538 Y CA 0.311 58.473 58.100 0.102 0.000 1.483 538 Y CB 0.437 39.039 38.460 0.235 0.000 1.209 538 Y HN 0.503 nan 8.280 nan 0.000 0.528 539 S N 9.115 124.556 115.700 -0.432 0.000 2.413 539 S HA 0.309 4.782 4.470 0.006 0.000 0.170 539 S C -2.694 171.595 174.600 -0.518 0.000 1.294 539 S CA -1.178 56.759 58.200 -0.438 0.000 1.201 539 S CB 0.362 63.429 63.200 -0.221 0.000 1.328 539 S HN 0.584 nan 8.310 nan 0.000 0.418 559 D N 0.201 120.557 120.400 -0.074 0.000 2.825 559 D HA 0.029 4.672 4.640 0.006 0.000 0.327 559 D C 0.786 177.002 176.300 -0.140 0.000 1.277 559 D CA -0.490 53.444 54.000 -0.111 0.000 0.950 559 D CB -0.056 40.700 40.800 -0.073 0.000 1.438 559 D HN 0.235 nan 8.370 nan 0.000 0.526 560 E N -0.467 119.620 120.200 -0.189 0.000 2.409 560 E HA -0.064 4.290 4.350 0.006 0.000 0.198 560 E C 0.972 177.611 176.600 0.066 0.000 1.024 560 E CA 0.828 57.090 56.400 -0.230 0.000 0.861 560 E CB -0.032 29.424 29.700 -0.406 0.000 0.788 560 E HN 0.100 nan 8.360 nan 0.000 0.521 561 K N 0.880 121.309 120.400 0.047 0.000 2.353 561 K HA 0.166 4.489 4.320 0.006 0.000 0.195 561 K C 0.795 177.454 176.600 0.099 0.000 1.031 561 K CA 0.513 56.834 56.287 0.056 0.000 1.079 561 K CB 0.528 33.035 32.500 0.012 0.000 0.857 561 K HN 0.197 nan 8.250 nan 0.000 0.535 562 G N 1.429 110.325 108.800 0.160 0.000 2.391 562 G HA2 -0.134 3.830 3.960 0.006 0.000 0.234 562 G HA3 -0.134 3.830 3.960 0.006 0.000 0.234 562 G C 0.552 175.623 174.900 0.284 0.000 1.284 562 G CA -0.064 45.150 45.100 0.191 0.000 0.873 562 G HN 0.254 nan 8.290 nan 0.000 0.549 563 Q N 1.306 121.250 119.800 0.240 0.000 2.297 563 Q HA 0.139 4.483 4.340 0.006 0.000 0.203 563 Q C 0.969 177.183 176.000 0.358 0.000 0.931 563 Q CA 0.053 56.030 55.803 0.289 0.000 0.885 563 Q CB 0.071 28.923 28.738 0.190 0.000 0.991 563 Q HN 0.662 nan 8.270 nan 0.000 0.498 564 I N 2.191 122.947 120.570 0.310 0.000 2.441 564 I HA 0.067 4.240 4.170 0.006 0.000 0.287 564 I C -0.453 175.831 176.117 0.279 0.000 1.049 564 I CA -0.218 61.266 61.300 0.307 0.000 1.381 564 I CB 0.941 39.173 38.000 0.387 0.000 1.409 564 I HN 0.128 nan 8.210 nan 0.000 0.523 565 L N 6.431 127.781 121.223 0.212 0.000 2.257 565 L HA 0.276 4.619 4.340 0.006 0.000 0.290 565 L C -0.138 176.850 176.870 0.197 0.000 1.044 565 L CA -0.486 54.456 54.840 0.169 0.000 0.810 565 L CB 1.010 43.095 42.059 0.043 0.000 1.193 565 L HN 0.559 nan 8.230 nan 0.000 0.425 566 Q N 3.184 123.098 119.800 0.190 0.000 2.398 566 Q HA 0.155 4.499 4.340 0.006 0.000 0.251 566 Q C -0.072 176.017 176.000 0.149 0.000 0.999 566 Q CA -0.064 55.846 55.803 0.178 0.000 0.874 566 Q CB 1.074 29.885 28.738 0.121 0.000 1.215 566 Q HN 0.409 nan 8.270 nan 0.000 0.470 567 E N 3.302 123.586 120.200 0.140 0.000 2.444 567 E HA 0.226 4.579 4.350 0.006 0.000 0.191 567 E C 0.630 177.297 176.600 0.112 0.000 1.041 567 E CA 0.427 56.900 56.400 0.122 0.000 0.883 567 E CB 0.164 29.892 29.700 0.047 0.000 1.024 567 E HN 0.933 nan 8.360 nan 0.000 0.470 568 G N 2.157 111.032 108.800 0.125 0.000 2.641 568 G HA2 -0.312 3.651 3.960 0.006 0.000 0.254 568 G HA3 -0.312 3.651 3.960 0.006 0.000 0.254 568 G C 0.168 175.136 174.900 0.113 0.000 1.315 568 G CA -0.252 44.916 45.100 0.114 0.000 0.907 568 G HN 0.284 nan 8.290 nan 0.000 0.572 569 I N 1.909 122.529 120.570 0.084 0.000 2.366 569 I HA 0.221 4.394 4.170 0.006 0.000 0.302 569 I C 0.568 176.699 176.117 0.023 0.000 1.194 569 I CA 0.235 61.570 61.300 0.058 0.000 1.667 569 I CB -0.437 37.579 38.000 0.026 0.000 1.501 569 I HN 0.402 nan 8.210 nan 0.000 0.776 570 N N 3.613 122.330 118.700 0.029 0.000 2.839 570 N HA 0.099 4.842 4.740 0.006 0.000 0.230 570 N C 0.444 175.924 175.510 -0.050 0.000 1.388 570 N CA -0.155 52.887 53.050 -0.013 0.000 0.747 570 N CB 0.759 39.254 38.487 0.014 0.000 1.411 570 N HN 0.204 nan 8.380 nan 0.000 0.556 571 E N 1.320 121.499 120.200 -0.034 0.000 2.077 571 E HA -0.040 4.314 4.350 0.006 0.000 0.193 571 E C 1.642 178.155 176.600 -0.144 0.000 0.989 571 E CA 0.834 57.221 56.400 -0.021 0.000 0.800 571 E CB 0.195 29.892 29.700 -0.006 0.000 0.746 571 E HN 0.531 nan 8.360 nan 0.000 0.452 572 L N -0.085 121.050 121.223 -0.147 0.000 2.046 572 L HA -0.125 4.218 4.340 0.006 0.000 0.208 572 L C 2.216 178.891 176.870 -0.326 0.000 1.077 572 L CA 1.698 56.431 54.840 -0.177 0.000 0.747 572 L CB -0.746 41.251 42.059 -0.103 0.000 0.896 572 L HN 0.330 nan 8.230 nan 0.000 0.432 573 G N -0.988 107.570 108.800 -0.404 0.000 2.418 573 G HA2 -0.270 3.693 3.960 0.006 0.000 0.217 573 G HA3 -0.270 3.693 3.960 0.006 0.000 0.217 573 G C 1.677 175.988 174.900 -0.982 0.000 1.158 573 G CA 0.748 45.264 45.100 -0.974 0.000 0.771 573 G HN 0.534 nan 8.290 nan 0.000 0.545 574 A N 0.870 123.339 122.820 -0.584 0.000 1.933 574 A HA 0.142 4.465 4.320 0.006 0.000 0.218 574 A C 2.694 179.823 177.584 -0.760 0.000 1.175 574 A CA 2.100 53.730 52.037 -0.679 0.000 0.628 574 A CB -1.022 17.471 19.000 -0.845 0.000 0.814 574 A HN 0.533 nan 8.150 nan 0.000 0.444 575 G N -1.212 107.233 108.800 -0.592 0.000 2.422 575 G HA2 -0.217 3.747 3.960 0.006 0.000 0.218 575 G HA3 -0.217 3.747 3.960 0.006 0.000 0.218 575 G C 1.507 176.327 174.900 -0.133 0.000 1.140 575 G CA 1.283 46.193 45.100 -0.316 0.000 0.775 575 G HN 0.526 nan 8.290 nan 0.000 0.545 576 C N 0.259 119.394 119.300 -0.274 0.000 2.450 576 C HA 0.101 4.565 4.460 0.006 0.000 0.279 576 C C 3.336 178.272 174.990 -0.090 0.000 1.335 576 C CA 1.007 59.933 59.018 -0.153 0.000 1.749 576 C CB -0.634 26.983 27.740 -0.204 0.000 1.963 576 C HN 0.394 nan 8.230 nan 0.000 0.501 577 S N -0.630 114.959 115.700 -0.185 0.000 2.371 577 S HA -0.186 4.288 4.470 0.006 0.000 0.224 577 S C 1.435 175.956 174.600 -0.132 0.000 1.029 577 S CA 1.191 59.358 58.200 -0.054 0.000 0.978 577 S CB -0.368 62.825 63.200 -0.011 0.000 0.833 577 S HN 0.826 nan 8.310 nan 0.000 0.466 578 W N 2.079 123.209 121.300 -0.284 0.000 2.338 578 W HA -0.145 4.518 4.660 0.006 0.000 0.304 578 W C 1.815 178.209 176.519 -0.209 0.000 1.212 578 W CA 1.077 58.294 57.345 -0.214 0.000 1.264 578 W CB -0.482 28.878 29.460 -0.166 0.000 1.142 578 W HN 0.262 nan 8.180 nan 0.000 0.512 579 L N 1.615 122.849 121.223 0.018 0.000 2.046 579 L HA -0.021 4.323 4.340 0.006 0.000 0.208 579 L C 2.469 179.175 176.870 -0.272 0.000 1.077 579 L CA 2.741 57.502 54.840 -0.131 0.000 0.747 579 L CB -1.531 40.583 42.059 0.091 0.000 0.896 579 L HN 0.071 nan 8.230 nan 0.000 0.432 580 A N -0.477 122.177 122.820 -0.278 0.000 1.908 580 A HA -0.129 4.194 4.320 0.006 0.000 0.218 580 A C 2.441 179.525 177.584 -0.832 0.000 1.181 580 A CA 2.000 53.798 52.037 -0.398 0.000 0.627 580 A CB -1.165 17.638 19.000 -0.328 0.000 0.818 580 A HN 0.584 nan 8.150 nan 0.000 0.445 581 A N -0.246 121.900 122.820 -1.124 0.000 1.873 581 A HA 0.236 4.560 4.320 0.006 0.000 0.215 581 A C 2.451 179.748 177.584 -0.479 0.000 1.186 581 A CA 1.837 53.256 52.037 -1.030 0.000 0.616 581 A CB -1.029 17.580 19.000 -0.651 0.000 0.823 581 A HN 1.137 nan 8.150 nan 0.000 0.442 582 A N -0.496 121.972 122.820 -0.587 0.000 2.178 582 A HA 0.013 4.336 4.320 0.006 0.000 0.218 582 A C 1.899 179.447 177.584 -0.060 0.000 1.157 582 A CA 2.080 53.841 52.037 -0.460 0.000 0.689 582 A CB -0.825 17.516 19.000 -1.099 0.000 0.787 582 A HN 0.810 nan 8.150 nan 0.000 0.465 583 T N -4.857 109.619 114.554 -0.131 0.000 3.145 583 T HA 0.217 4.570 4.350 0.006 0.000 0.281 583 T C 1.355 175.919 174.700 -0.226 0.000 1.003 583 T CA 0.666 62.672 62.100 -0.157 0.000 0.901 583 T CB 0.150 68.941 68.868 -0.129 0.000 1.112 583 T HN 0.179 nan 8.240 nan 0.000 0.535 584 S N 1.533 117.199 115.700 -0.057 0.000 2.419 584 S HA -0.131 4.342 4.470 0.006 0.000 0.233 584 S C 1.878 176.513 174.600 0.059 0.000 1.016 584 S CA 1.227 59.459 58.200 0.054 0.000 0.974 584 S CB -0.656 62.670 63.200 0.209 0.000 0.786 584 S HN 0.815 nan 8.310 nan 0.000 0.492 585 Y N 0.845 121.224 120.300 0.132 0.000 2.256 585 Y HA 0.037 4.591 4.550 0.006 0.000 0.288 585 Y C 2.521 178.547 175.900 0.211 0.000 1.155 585 Y CA 1.463 59.677 58.100 0.190 0.000 1.203 585 Y CB -1.030 37.634 38.460 0.341 0.000 0.980 585 Y HN 0.318 nan 8.280 nan 0.000 0.530 586 S N -0.401 114.908 115.700 -0.652 0.000 2.412 586 S HA -0.070 4.403 4.470 0.006 0.000 0.223 586 S C 1.865 176.362 174.600 -0.172 0.000 1.048 586 S CA 1.018 58.973 58.200 -0.408 0.000 0.954 586 S CB -0.863 61.937 63.200 -0.667 0.000 0.840 586 S HN 0.560 nan 8.310 nan 0.000 0.503 587 T N 2.966 117.421 114.554 -0.165 0.000 2.708 587 T HA 0.008 4.362 4.350 0.006 0.000 0.266 587 T C 1.134 175.854 174.700 0.034 0.000 1.037 587 T CA 1.479 63.563 62.100 -0.027 0.000 1.146 587 T CB -0.290 68.625 68.868 0.078 0.000 0.865 587 T HN 0.494 nan 8.240 nan 0.000 0.435 588 N N 0.562 119.293 118.700 0.052 0.000 2.177 588 N HA 0.106 4.849 4.740 0.006 0.000 0.218 588 N C 0.145 175.700 175.510 0.074 0.000 1.182 588 N CA -0.014 53.079 53.050 0.071 0.000 0.882 588 N CB 0.269 38.814 38.487 0.097 0.000 1.052 588 N HN 0.216 nan 8.380 nan 0.000 0.519 589 N N 0.820 119.575 118.700 0.090 0.000 2.721 589 N HA -0.216 4.528 4.740 0.006 0.000 0.249 589 N C -1.192 174.399 175.510 0.136 0.000 1.072 589 N CA 0.304 53.442 53.050 0.147 0.000 0.710 589 N CB -1.237 37.323 38.487 0.121 0.000 0.993 589 N HN 0.330 nan 8.380 nan 0.000 0.547 590 L N 0.371 121.663 121.223 0.115 0.000 2.462 590 L HA 0.551 4.895 4.340 0.006 0.000 0.255 590 L C -2.373 174.529 176.870 0.053 0.000 1.076 590 L CA -1.630 53.249 54.840 0.065 0.000 0.920 590 L CB 1.316 43.413 42.059 0.064 0.000 1.214 590 L HN -0.068 nan 8.230 nan 0.000 0.472 591 P HA 0.103 nan 4.420 nan 0.000 0.263 591 P C -0.966 176.261 177.300 -0.122 0.000 1.195 591 P CA 0.278 63.318 63.100 -0.100 0.000 0.762 591 P CB 0.666 31.996 31.700 -0.617 0.000 0.799 592 M N 3.869 123.430 119.600 -0.065 0.000 2.464 592 M HA 0.446 4.930 4.480 0.006 0.000 0.308 592 M C -0.032 176.111 176.300 -0.260 0.000 1.127 592 M CA -0.748 54.516 55.300 -0.060 0.000 0.913 592 M CB 1.954 34.678 32.600 0.206 0.000 1.689 592 M HN 0.209 nan 8.290 nan 0.000 0.445 593 I N 4.827 125.257 120.570 -0.234 0.000 2.428 593 I HA 0.300 4.474 4.170 0.006 0.000 0.279 593 I C -2.201 173.907 176.117 -0.015 0.000 1.040 593 I CA -1.624 59.524 61.300 -0.253 0.000 1.171 593 I CB 1.475 39.322 38.000 -0.256 0.000 1.312 593 I HN 0.238 nan 8.210 nan 0.000 0.470 594 P HA 0.287 nan 4.420 nan 0.000 0.284 594 P C -1.023 176.360 177.300 0.139 0.000 1.253 594 P CA -0.209 62.927 63.100 0.060 0.000 0.800 594 P CB 0.791 32.375 31.700 -0.193 0.000 0.961 595 F N 2.505 122.747 119.950 0.487 0.000 2.646 595 F HA 0.242 4.772 4.527 0.006 0.000 0.364 595 F C -0.192 175.919 175.800 0.519 0.000 1.137 595 F CA -0.738 57.581 58.000 0.532 0.000 1.085 595 F CB 1.000 40.262 39.000 0.436 0.000 1.331 595 F HN 0.235 nan 8.300 nan 0.000 0.472 596 Y N 5.538 126.110 120.300 0.453 0.000 2.353 596 Y HA 0.619 5.172 4.550 0.006 0.000 0.340 596 Y C -1.043 174.943 175.900 0.144 0.000 0.972 596 Y CA -2.086 56.174 58.100 0.267 0.000 1.157 596 Y CB 0.741 39.263 38.460 0.104 0.000 1.157 596 Y HN 0.546 nan 8.280 nan 0.000 0.495 597 I N 9.161 129.740 120.570 0.014 0.000 2.441 597 I HA 0.526 4.699 4.170 0.006 0.000 0.295 597 I C -1.675 174.030 176.117 -0.686 0.000 0.994 597 I CA -0.671 60.285 61.300 -0.574 0.000 1.144 597 I CB 1.001 38.651 38.000 -0.584 0.000 1.314 597 I HN 0.695 nan 8.210 nan 0.000 0.445 598 Y N 3.655 123.395 120.300 -0.932 0.000 2.788 598 Y HA 0.426 4.980 4.550 0.006 0.000 0.335 598 Y C -1.861 173.896 175.900 -0.238 0.000 1.287 598 Y CA -1.468 56.325 58.100 -0.512 0.000 1.068 598 Y CB 0.250 38.479 38.460 -0.386 0.000 1.340 598 Y HN 0.330 nan 8.280 nan 0.000 0.449 599 Y N 2.324 122.813 120.300 0.315 0.000 2.537 599 Y HA 0.171 4.724 4.550 0.006 0.000 0.339 599 Y C 1.893 177.805 175.900 0.020 0.000 1.066 599 Y CA 0.957 59.183 58.100 0.210 0.000 1.357 599 Y CB 1.063 39.676 38.460 0.255 0.000 1.175 599 Y HN 0.806 nan 8.280 nan 0.000 0.525 600 S N 2.249 117.916 115.700 -0.055 0.000 2.392 600 S HA -0.389 4.085 4.470 0.006 0.000 0.232 600 S C 1.978 176.608 174.600 0.049 0.000 1.041 600 S CA 1.761 59.956 58.200 -0.008 0.000 1.026 600 S CB -0.420 62.775 63.200 -0.009 0.000 0.845 600 S HN 0.831 nan 8.310 nan 0.000 0.465 601 M N 1.446 120.944 119.600 -0.169 0.000 2.202 601 M HA 0.111 4.595 4.480 0.006 0.000 0.262 601 M C 0.915 177.084 176.300 -0.220 0.000 1.063 601 M CA 1.411 56.518 55.300 -0.321 0.000 1.097 601 M CB -0.770 31.476 32.600 -0.590 0.000 1.382 601 M HN 0.420 nan 8.290 nan 0.000 0.413 602 F N -0.765 119.270 119.950 0.143 0.000 2.701 602 F HA 0.342 4.873 4.527 0.006 0.000 0.295 602 F C 1.538 177.283 175.800 -0.093 0.000 1.165 602 F CA -0.511 57.517 58.000 0.047 0.000 1.399 602 F CB -0.820 38.220 39.000 0.066 0.000 0.996 602 F HN 0.201 nan 8.300 nan 0.000 0.513 603 G N 0.313 109.134 108.800 0.036 0.000 3.226 603 G HA2 0.025 3.988 3.960 0.006 0.000 0.190 603 G HA3 0.025 3.988 3.960 0.006 0.000 0.190 603 G C 0.895 175.594 174.900 -0.334 0.000 1.988 603 G CA -0.158 44.727 45.100 -0.358 0.000 0.859 603 G HN 0.128 nan 8.290 nan 0.000 0.631 604 F N 0.822 120.675 119.950 -0.162 0.000 2.147 604 F HA -0.145 4.386 4.527 0.006 0.000 0.301 604 F C 2.928 178.706 175.800 -0.036 0.000 1.084 604 F CA 1.882 59.811 58.000 -0.118 0.000 1.268 604 F CB -0.303 38.599 39.000 -0.164 0.000 1.009 604 F HN 0.300 nan 8.300 nan 0.000 0.486 605 Q N 0.243 120.140 119.800 0.161 0.000 2.084 605 Q HA -0.247 4.096 4.340 0.006 0.000 0.202 605 Q C 2.283 178.348 176.000 0.107 0.000 0.978 605 Q CA 1.704 57.596 55.803 0.148 0.000 0.844 605 Q CB -0.015 28.830 28.738 0.178 0.000 0.898 605 Q HN 0.201 nan 8.270 nan 0.000 0.426 606 R N 0.413 120.963 120.500 0.085 0.000 2.156 606 R HA 0.091 4.434 4.340 0.006 0.000 0.207 606 R C 1.422 177.720 176.300 -0.004 0.000 1.040 606 R CA 1.132 57.266 56.100 0.057 0.000 1.013 606 R CB 0.169 30.529 30.300 0.100 0.000 0.931 606 R HN 0.475 nan 8.270 nan 0.000 0.465 607 I N -3.295 117.242 120.570 -0.056 0.000 3.707 607 I HA 0.527 4.701 4.170 0.006 0.000 0.330 607 I C 1.023 177.117 176.117 -0.038 0.000 1.572 607 I CA -0.203 61.052 61.300 -0.075 0.000 1.104 607 I CB 0.852 38.759 38.000 -0.154 0.000 1.240 607 I HN 0.046 nan 8.210 nan 0.000 0.475 608 G N 1.324 110.143 108.800 0.031 0.000 2.469 608 G HA2 -0.312 3.651 3.960 0.006 0.000 0.220 608 G HA3 -0.312 3.651 3.960 0.006 0.000 0.220 608 G C 1.148 176.149 174.900 0.170 0.000 1.136 608 G CA 1.436 46.616 45.100 0.134 0.000 0.759 608 G HN 0.461 nan 8.290 nan 0.000 0.562 609 D N -0.297 120.172 120.400 0.115 0.000 2.178 609 D HA -0.031 4.613 4.640 0.006 0.000 0.202 609 D C 2.330 178.751 176.300 0.201 0.000 0.974 609 D CA 0.120 54.209 54.000 0.149 0.000 0.841 609 D CB -0.212 40.639 40.800 0.086 0.000 0.953 609 D HN 0.204 nan 8.370 nan 0.000 0.478 610 L N -0.055 121.244 121.223 0.127 0.000 2.109 610 L HA -0.138 4.205 4.340 0.006 0.000 0.207 610 L C 2.004 178.962 176.870 0.146 0.000 1.086 610 L CA 0.984 55.892 54.840 0.114 0.000 0.760 610 L CB -0.416 41.660 42.059 0.029 0.000 0.910 610 L HN 0.216 nan 8.230 nan 0.000 0.437 611 C N -1.007 118.377 119.300 0.139 0.000 2.425 611 C HA -0.214 4.249 4.460 0.006 0.000 0.277 611 C C 2.601 177.822 174.990 0.386 0.000 1.280 611 C CA 0.360 59.500 59.018 0.204 0.000 1.744 611 C CB -1.222 26.655 27.740 0.229 0.000 1.989 611 C HN 0.744 nan 8.230 nan 0.000 0.491 612 W N 1.562 122.978 121.300 0.193 0.000 2.379 612 W HA -0.125 4.538 4.660 0.006 0.000 0.307 612 W C 2.404 179.033 176.519 0.183 0.000 1.200 612 W CA 1.638 59.090 57.345 0.178 0.000 1.297 612 W CB -0.460 29.070 29.460 0.118 0.000 1.140 612 W HN 0.333 nan 8.180 nan 0.000 0.507 613 A N 0.795 123.797 122.820 0.303 0.000 1.972 613 A HA -0.062 4.261 4.320 0.006 0.000 0.219 613 A C 2.109 179.790 177.584 0.162 0.000 1.169 613 A CA 2.269 54.433 52.037 0.211 0.000 0.635 613 A CB -1.181 17.962 19.000 0.237 0.000 0.810 613 A HN 0.298 nan 8.150 nan 0.000 0.446 614 A N -0.399 122.535 122.820 0.190 0.000 1.933 614 A HA 0.116 4.439 4.320 0.006 0.000 0.218 614 A C 2.367 180.095 177.584 0.241 0.000 1.175 614 A CA 1.880 54.035 52.037 0.197 0.000 0.628 614 A CB -1.268 17.841 19.000 0.182 0.000 0.814 614 A HN 0.684 nan 8.150 nan 0.000 0.444 615 G N -0.337 108.620 108.800 0.262 0.000 2.402 615 G HA2 -0.264 3.699 3.960 0.006 0.000 0.216 615 G HA3 -0.264 3.699 3.960 0.006 0.000 0.216 615 G C 1.343 176.241 174.900 -0.004 0.000 1.162 615 G CA 1.319 46.513 45.100 0.158 0.000 0.777 615 G HN 0.509 nan 8.290 nan 0.000 0.539 616 D N 0.148 120.501 120.400 -0.079 0.000 2.144 616 D HA -0.118 4.526 4.640 0.006 0.000 0.199 616 D C 2.236 178.578 176.300 0.069 0.000 0.984 616 D CA 0.898 54.880 54.000 -0.030 0.000 0.834 616 D CB -0.243 40.573 40.800 0.026 0.000 0.955 616 D HN 0.439 nan 8.370 nan 0.000 0.465 617 Q N -0.533 119.326 119.800 0.100 0.000 2.415 617 Q HA 0.012 4.356 4.340 0.006 0.000 0.206 617 Q C -0.242 175.817 176.000 0.099 0.000 0.946 617 Q CA 0.035 55.897 55.803 0.098 0.000 0.951 617 Q CB 0.100 28.912 28.738 0.123 0.000 1.026 617 Q HN 0.156 nan 8.270 nan 0.000 0.510 618 Q N -1.485 118.390 119.800 0.126 0.000 2.468 618 Q HA -0.208 4.135 4.340 0.006 0.000 0.289 618 Q C -0.651 175.491 176.000 0.236 0.000 1.299 618 Q CA 0.927 56.833 55.803 0.171 0.000 0.838 618 Q CB -2.340 26.506 28.738 0.180 0.000 1.195 618 Q HN 0.486 nan 8.270 nan 0.000 0.456 619 A N 1.190 124.133 122.820 0.207 0.000 2.477 619 A HA 0.384 4.708 4.320 0.006 0.000 0.246 619 A C 0.437 178.111 177.584 0.151 0.000 1.078 619 A CA 0.199 52.292 52.037 0.095 0.000 0.770 619 A CB 0.392 19.334 19.000 -0.097 0.000 1.011 619 A HN 0.315 nan 8.150 nan 0.000 0.494 620 R N 1.996 122.520 120.500 0.041 0.000 2.358 620 R HA 0.549 4.892 4.340 0.006 0.000 0.309 620 R C 0.185 176.477 176.300 -0.013 0.000 1.026 620 R CA 0.157 56.251 56.100 -0.010 0.000 0.909 620 R CB 1.746 31.856 30.300 -0.317 0.000 1.153 620 R HN 1.013 nan 8.270 nan 0.000 0.515 621 G N 1.508 110.295 108.800 -0.022 0.000 2.561 621 G HA2 0.494 4.458 3.960 0.006 0.000 0.310 621 G HA3 0.494 4.458 3.960 0.006 0.000 0.310 621 G C -1.785 173.202 174.900 0.144 0.000 1.292 621 G CA -0.572 44.498 45.100 -0.050 0.000 0.811 621 G HN 0.215 nan 8.290 nan 0.000 0.482 622 F N 0.364 120.550 119.950 0.394 0.000 2.477 622 F HA 0.574 5.105 4.527 0.006 0.000 0.335 622 F C 0.136 176.194 175.800 0.430 0.000 1.130 622 F CA -0.616 57.605 58.000 0.367 0.000 0.948 622 F CB 2.154 41.146 39.000 -0.013 0.000 1.154 622 F HN 0.091 nan 8.300 nan 0.000 0.439 623 L N 5.359 126.849 121.223 0.445 0.000 2.257 623 L HA 0.458 4.801 4.340 0.006 0.000 0.290 623 L C -0.634 176.352 176.870 0.194 0.000 1.044 623 L CA -0.521 54.404 54.840 0.142 0.000 0.810 623 L CB 0.800 42.857 42.059 -0.004 0.000 1.193 623 L HN 0.434 nan 8.230 nan 0.000 0.425 624 I N 3.341 123.848 120.570 -0.104 0.000 2.330 624 I HA 0.226 4.400 4.170 0.006 0.000 0.286 624 I C 0.868 176.505 176.117 -0.800 0.000 1.025 624 I CA -0.156 60.891 61.300 -0.422 0.000 1.197 624 I CB 1.241 38.799 38.000 -0.736 0.000 1.358 624 I HN 0.587 nan 8.210 nan 0.000 0.467 625 G N 5.545 114.004 108.800 -0.567 0.000 2.621 625 G HA2 0.432 4.396 3.960 0.006 0.000 0.306 625 G HA3 0.432 4.396 3.960 0.006 0.000 0.306 625 G C 0.578 175.174 174.900 -0.507 0.000 0.893 625 G CA -0.286 44.442 45.100 -0.621 0.000 1.486 625 G HN 0.737 nan 8.290 nan 0.000 0.477 626 G N 1.335 109.751 108.800 -0.641 0.000 2.651 626 G HA2 0.452 4.416 3.960 0.006 0.000 0.260 626 G HA3 0.452 4.416 3.960 0.006 0.000 0.260 626 G C 0.998 175.854 174.900 -0.072 0.000 1.216 626 G CA 0.483 45.407 45.100 -0.293 0.000 0.913 626 G HN 1.606 nan 8.290 nan 0.000 0.535 627 T N -2.524 112.044 114.554 0.023 0.000 3.622 627 T HA -0.222 4.132 4.350 0.006 0.000 0.380 627 T C 0.637 175.337 174.700 -0.001 0.000 0.764 627 T CA 0.887 62.982 62.100 -0.008 0.000 1.908 627 T CB -2.619 66.207 68.868 -0.070 0.000 1.771 627 T HN 1.743 nan 8.240 nan 0.000 0.706 628 S N -0.270 115.420 115.700 -0.016 0.000 2.681 628 S HA 0.758 5.232 4.470 0.006 0.000 0.270 628 S C 0.879 175.449 174.600 -0.051 0.000 1.209 628 S CA -0.119 58.078 58.200 -0.005 0.000 0.988 628 S CB 1.389 64.624 63.200 0.058 0.000 1.006 628 S HN 2.427 nan 8.310 nan 0.000 0.558 629 G N 0.462 109.147 108.800 -0.191 0.000 3.019 629 G HA2 -0.127 3.837 3.960 0.006 0.000 0.686 629 G HA3 -0.127 3.837 3.960 0.006 0.000 0.686 629 G C -0.017 174.672 174.900 -0.352 0.000 1.056 629 G CA -0.008 44.837 45.100 -0.426 0.000 0.774 629 G HN 0.877 nan 8.290 nan 0.000 0.583 630 R N 0.638 120.847 120.500 -0.485 0.000 2.083 630 R HA -0.082 4.262 4.340 0.006 0.000 0.237 630 R C 3.027 179.186 176.300 -0.235 0.000 1.137 630 R CA 3.275 59.141 56.100 -0.391 0.000 0.951 630 R CB -0.418 29.489 30.300 -0.655 0.000 0.851 630 R HN 1.114 nan 8.270 nan 0.000 0.434 631 T N -3.918 110.515 114.554 -0.202 0.000 3.081 631 T HA 0.058 4.411 4.350 0.006 0.000 0.255 631 T C 1.453 176.151 174.700 -0.004 0.000 1.113 631 T CA 0.995 63.072 62.100 -0.039 0.000 1.082 631 T CB 0.060 68.922 68.868 -0.010 0.000 0.939 631 T HN 0.173 nan 8.240 nan 0.000 0.506 632 T N 1.850 116.387 114.554 -0.027 0.000 2.978 632 T HA 0.215 4.568 4.350 0.006 0.000 0.262 632 T C 0.717 175.433 174.700 0.026 0.000 1.063 632 T CA 0.160 62.271 62.100 0.019 0.000 1.140 632 T CB -0.197 68.688 68.868 0.029 0.000 0.886 632 T HN 0.249 nan 8.240 nan 0.000 0.470 633 L N 4.506 125.739 121.223 0.018 0.000 2.719 633 L HA 0.323 4.667 4.340 0.006 0.000 0.236 633 L C 1.403 178.301 176.870 0.047 0.000 1.285 633 L CA -0.622 54.242 54.840 0.040 0.000 1.222 633 L CB -0.733 41.368 42.059 0.070 0.000 1.493 633 L HN 0.123 nan 8.230 nan 0.000 0.415 634 N N 0.170 118.897 118.700 0.044 0.000 2.094 634 N HA -0.188 4.555 4.740 0.006 0.000 0.191 634 N C 1.378 176.916 175.510 0.047 0.000 1.023 634 N CA 1.527 54.609 53.050 0.054 0.000 0.857 634 N CB -0.372 38.148 38.487 0.056 0.000 1.013 634 N HN 0.500 nan 8.380 nan 0.000 0.426 635 G N 0.550 109.368 108.800 0.030 0.000 2.494 635 G HA2 -0.104 3.859 3.960 0.006 0.000 0.216 635 G HA3 -0.104 3.859 3.960 0.006 0.000 0.216 635 G C 1.466 176.366 174.900 0.001 0.000 1.140 635 G CA 0.029 45.139 45.100 0.016 0.000 0.801 635 G HN 0.195 nan 8.290 nan 0.000 0.536 636 E N 0.659 120.854 120.200 -0.009 0.000 2.153 636 E HA 0.081 4.435 4.350 0.006 0.000 0.194 636 E C 1.843 178.455 176.600 0.020 0.000 0.988 636 E CA 0.797 57.154 56.400 -0.073 0.000 0.811 636 E CB -0.454 29.181 29.700 -0.109 0.000 0.746 636 E HN 0.466 nan 8.360 nan 0.000 0.466 637 G N 0.677 109.528 108.800 0.085 0.000 2.632 637 G HA2 -0.289 3.674 3.960 0.006 0.000 0.224 637 G HA3 -0.289 3.674 3.960 0.006 0.000 0.224 637 G C 0.527 175.539 174.900 0.186 0.000 1.341 637 G CA -0.122 45.053 45.100 0.124 0.000 0.880 637 G HN 0.213 nan 8.290 nan 0.000 0.566 638 L N 0.430 121.760 121.223 0.178 0.000 2.030 638 L HA -0.160 4.183 4.340 0.006 0.000 0.222 638 L C 2.420 179.426 176.870 0.226 0.000 1.082 638 L CA 3.377 58.343 54.840 0.209 0.000 0.785 638 L CB -1.290 40.839 42.059 0.116 0.000 0.895 638 L HN 0.776 nan 8.230 nan 0.000 0.439 639 Q N -2.199 117.730 119.800 0.215 0.000 2.320 639 Q HA -0.033 4.311 4.340 0.006 0.000 0.201 639 Q C 0.881 176.841 176.000 -0.067 0.000 0.910 639 Q CA 0.226 56.111 55.803 0.137 0.000 0.946 639 Q CB 0.225 29.036 28.738 0.121 0.000 1.062 639 Q HN 0.687 nan 8.270 nan 0.000 0.503 640 H N -0.939 118.157 119.070 0.045 0.000 3.067 640 H HA 0.163 4.722 4.556 0.006 0.000 0.241 640 H C -0.230 175.068 175.328 -0.050 0.000 0.961 640 H CA -0.202 55.807 56.048 -0.064 0.000 1.123 640 H CB 0.794 30.566 29.762 0.017 0.000 1.448 640 H HN 0.045 nan 8.280 nan 0.000 0.457 641 E N 2.416 122.691 120.200 0.125 0.000 2.081 641 E HA 0.003 4.357 4.350 0.006 0.000 0.270 641 E C -0.685 175.893 176.600 -0.037 0.000 1.180 641 E CA -0.161 56.262 56.400 0.038 0.000 0.926 641 E CB 0.266 30.003 29.700 0.061 0.000 1.035 641 E HN 0.240 nan 8.360 nan 0.000 0.418 642 D N 2.504 122.828 120.400 -0.127 0.000 2.365 642 D HA 0.159 4.803 4.640 0.006 0.000 0.237 642 D C 0.414 176.505 176.300 -0.348 0.000 1.190 642 D CA -0.420 53.433 54.000 -0.246 0.000 0.867 642 D CB 0.777 41.456 40.800 -0.203 0.000 1.050 642 D HN 0.443 nan 8.370 nan 0.000 0.491 643 G N 3.018 111.655 108.800 -0.272 0.000 3.993 643 G HA2 0.035 3.999 3.960 0.006 0.000 0.294 643 G HA3 0.035 3.999 3.960 0.006 0.000 0.294 643 G C 0.480 175.460 174.900 0.134 0.000 1.043 643 G CA -0.414 44.474 45.100 -0.353 0.000 0.839 643 G HN 0.706 nan 8.290 nan 0.000 0.516 644 H N -2.070 117.105 119.070 0.175 0.000 3.726 644 H HA 0.059 4.619 4.556 0.006 0.000 0.262 644 H C 1.603 176.978 175.328 0.079 0.000 1.181 644 H CA 0.686 56.816 56.048 0.136 0.000 1.143 644 H CB -0.430 29.344 29.762 0.019 0.000 1.627 644 H HN 0.230 nan 8.280 nan 0.000 0.750 645 S N 0.697 116.326 115.700 -0.118 0.000 2.442 645 S HA -0.193 4.280 4.470 0.006 0.000 0.236 645 S C 1.474 175.932 174.600 -0.236 0.000 1.007 645 S CA 1.371 59.512 58.200 -0.098 0.000 0.965 645 S CB -0.744 62.476 63.200 0.033 0.000 0.773 645 S HN 0.534 nan 8.310 nan 0.000 0.504 646 H N 0.504 119.397 119.070 -0.295 0.000 2.462 646 H HA 0.225 4.785 4.556 0.006 0.000 0.292 646 H C 1.703 176.880 175.328 -0.251 0.000 1.049 646 H CA 1.304 57.099 56.048 -0.422 0.000 1.334 646 H CB 0.031 29.108 29.762 -1.140 0.000 1.404 646 H HN 0.322 nan 8.280 nan 0.000 0.544 647 I N 0.353 120.892 120.570 -0.052 0.000 2.439 647 I HA -0.162 4.011 4.170 0.006 0.000 0.251 647 I C 1.730 177.813 176.117 -0.056 0.000 1.139 647 I CA 1.231 62.538 61.300 0.012 0.000 1.438 647 I CB -0.768 37.272 38.000 0.068 0.000 1.085 647 I HN 0.380 nan 8.210 nan 0.000 0.427 648 Q N 0.408 120.137 119.800 -0.118 0.000 2.096 648 Q HA -0.107 4.236 4.340 0.006 0.000 0.197 648 Q C 2.394 178.141 176.000 -0.422 0.000 0.964 648 Q CA 1.792 57.493 55.803 -0.169 0.000 0.838 648 Q CB -0.068 28.628 28.738 -0.071 0.000 0.906 648 Q HN 0.548 nan 8.270 nan 0.000 0.444 649 S N 0.979 116.211 115.700 -0.780 0.000 2.423 649 S HA -0.125 4.349 4.470 0.006 0.000 0.231 649 S C 1.907 176.247 174.600 -0.433 0.000 1.014 649 S CA 1.008 58.554 58.200 -1.090 0.000 0.965 649 S CB -0.394 62.029 63.200 -1.295 0.000 0.785 649 S HN 0.417 nan 8.310 nan 0.000 0.495 650 L N 1.734 122.828 121.223 -0.215 0.000 2.551 650 L HA 0.224 4.567 4.340 0.006 0.000 0.228 650 L C 2.123 178.963 176.870 -0.050 0.000 1.153 650 L CA 1.424 56.212 54.840 -0.087 0.000 0.851 650 L CB -1.923 40.137 42.059 0.001 0.000 0.959 650 L HN 0.456 nan 8.230 nan 0.000 0.451 651 T N -2.628 111.900 114.554 -0.044 0.000 3.088 651 T HA 0.215 4.568 4.350 0.006 0.000 0.259 651 T C 0.833 175.662 174.700 0.215 0.000 1.122 651 T CA 0.180 62.319 62.100 0.065 0.000 1.095 651 T CB -0.618 68.278 68.868 0.047 0.000 0.930 651 T HN 0.322 nan 8.240 nan 0.000 0.508 652 I N 2.725 123.357 120.570 0.103 0.000 2.297 652 I HA 0.265 4.438 4.170 0.006 0.000 0.291 652 I C -1.593 174.468 176.117 -0.094 0.000 1.033 652 I CA -2.657 58.683 61.300 0.068 0.000 1.253 652 I CB 1.731 39.749 38.000 0.029 0.000 1.396 652 I HN -0.074 nan 8.210 nan 0.000 0.476 653 P HA -0.200 nan 4.420 nan 0.000 0.216 653 P C 0.452 177.652 177.300 -0.166 0.000 1.157 653 P CA 1.657 64.685 63.100 -0.120 0.000 0.880 653 P CB -0.074 31.553 31.700 -0.122 0.000 0.791 654 N N -2.344 116.224 118.700 -0.220 0.000 2.320 654 N HA 0.127 4.870 4.740 0.006 0.000 0.237 654 N C -0.558 174.714 175.510 -0.396 0.000 1.129 654 N CA -0.485 52.428 53.050 -0.228 0.000 0.854 654 N CB -0.308 38.092 38.487 -0.145 0.000 1.083 654 N HN 0.041 nan 8.380 nan 0.000 0.504 655 C N 1.615 120.631 119.300 -0.473 0.000 2.303 655 C HA 0.526 4.990 4.460 0.006 0.000 0.326 655 C C -0.404 174.379 174.990 -0.344 0.000 1.285 655 C CA -0.890 57.749 59.018 -0.632 0.000 1.675 655 C CB -0.315 27.061 27.740 -0.605 0.000 2.289 655 C HN 0.342 nan 8.230 nan 0.000 0.512 656 I N 6.256 126.623 120.570 -0.339 0.000 2.307 656 I HA 0.312 4.485 4.170 0.006 0.000 0.289 656 I C 0.500 176.424 176.117 -0.322 0.000 1.021 656 I CA 0.256 61.298 61.300 -0.430 0.000 1.224 656 I CB 0.908 38.462 38.000 -0.743 0.000 1.376 656 I HN 0.685 nan 8.210 nan 0.000 0.470 657 S N 6.728 122.282 115.700 -0.244 0.000 2.489 657 S HA 0.705 5.178 4.470 0.006 0.000 0.291 657 S C -0.865 173.612 174.600 -0.206 0.000 1.151 657 S CA -0.413 57.780 58.200 -0.011 0.000 1.082 657 S CB 1.169 64.508 63.200 0.232 0.000 1.019 657 S HN 0.359 nan 8.310 nan 0.000 0.492 658 Y N 0.530 120.906 120.300 0.126 0.000 2.524 658 Y HA 0.410 4.964 4.550 0.006 0.000 0.347 658 Y C -0.363 175.581 175.900 0.074 0.000 1.005 658 Y CA -0.942 57.201 58.100 0.071 0.000 1.025 658 Y CB 1.864 40.359 38.460 0.060 0.000 1.275 658 Y HN 0.565 nan 8.280 nan 0.000 0.460 659 D N 3.974 124.471 120.400 0.160 0.000 2.513 659 D HA 0.284 4.927 4.640 0.006 0.000 0.295 659 D C -2.897 173.473 176.300 0.116 0.000 1.202 659 D CA -2.176 51.882 54.000 0.097 0.000 0.849 659 D CB 0.889 41.668 40.800 -0.035 0.000 1.116 659 D HN 0.044 nan 8.370 nan 0.000 0.502 660 P HA 0.187 nan 4.420 nan 0.000 0.272 660 P C 0.060 177.354 177.300 -0.011 0.000 1.223 660 P CA -0.220 62.906 63.100 0.043 0.000 0.784 660 P CB 1.971 33.690 31.700 0.031 0.000 0.923 661 A N 2.289 125.022 122.820 -0.145 0.000 2.035 661 A HA 0.169 4.493 4.320 0.006 0.000 0.208 661 A C 0.465 177.898 177.584 -0.252 0.000 1.206 661 A CA 0.658 52.531 52.037 -0.275 0.000 0.773 661 A CB -0.410 18.203 19.000 -0.645 0.000 0.878 661 A HN 0.591 nan 8.150 nan 0.000 0.469 662 Y N -2.450 117.810 120.300 -0.066 0.000 2.509 662 Y HA 0.520 5.074 4.550 0.006 0.000 0.341 662 Y C 1.493 177.244 175.900 -0.249 0.000 1.038 662 Y CA -0.758 57.221 58.100 -0.202 0.000 1.089 662 Y CB 1.765 39.883 38.460 -0.570 0.000 1.241 662 Y HN 0.092 nan 8.280 nan 0.000 0.468 663 A N 1.444 124.287 122.820 0.040 0.000 1.908 663 A HA -0.263 4.061 4.320 0.006 0.000 0.218 663 A C 1.755 179.362 177.584 0.038 0.000 1.181 663 A CA 2.202 54.255 52.037 0.026 0.000 0.627 663 A CB -1.200 17.827 19.000 0.044 0.000 0.818 663 A HN 0.935 nan 8.150 nan 0.000 0.445 664 Y N -0.527 119.834 120.300 0.102 0.000 2.352 664 Y HA 0.034 4.587 4.550 0.006 0.000 0.292 664 Y C 1.768 177.697 175.900 0.048 0.000 1.136 664 Y CA 1.069 59.201 58.100 0.054 0.000 1.227 664 Y CB -0.776 37.700 38.460 0.027 0.000 0.991 664 Y HN 0.398 nan 8.280 nan 0.000 0.545 665 E N 0.766 120.876 120.200 -0.151 0.000 2.072 665 E HA -0.109 4.245 4.350 0.006 0.000 0.190 665 E C 2.282 178.867 176.600 -0.024 0.000 0.982 665 E CA 1.341 57.722 56.400 -0.033 0.000 0.803 665 E CB -0.201 29.451 29.700 -0.081 0.000 0.755 665 E HN 0.361 nan 8.360 nan 0.000 0.453 666 V N 1.584 121.485 119.914 -0.022 0.000 2.332 666 V HA -0.319 3.804 4.120 0.006 0.000 0.248 666 V C 2.328 178.403 176.094 -0.031 0.000 1.055 666 V CA 1.959 64.260 62.300 0.002 0.000 1.038 666 V CB -0.752 31.097 31.823 0.043 0.000 0.651 666 V HN 0.334 nan 8.190 nan 0.000 0.450 667 A N -0.306 122.493 122.820 -0.035 0.000 1.877 667 A HA -0.163 4.161 4.320 0.006 0.000 0.216 667 A C 2.389 179.830 177.584 -0.238 0.000 1.186 667 A CA 2.140 54.089 52.037 -0.148 0.000 0.620 667 A CB -0.723 18.269 19.000 -0.013 0.000 0.822 667 A HN 0.337 nan 8.150 nan 0.000 0.443 668 V N 0.166 120.026 119.914 -0.090 0.000 2.343 668 V HA -0.266 3.857 4.120 0.006 0.000 0.247 668 V C 2.426 178.486 176.094 -0.058 0.000 1.051 668 V CA 2.047 64.313 62.300 -0.057 0.000 1.036 668 V CB -0.710 31.114 31.823 0.003 0.000 0.654 668 V HN 0.562 nan 8.190 nan 0.000 0.451 669 I N -0.788 119.717 120.570 -0.109 0.000 2.179 669 I HA -0.295 3.878 4.170 0.006 0.000 0.242 669 I C 2.507 178.621 176.117 -0.006 0.000 1.088 669 I CA 1.850 63.055 61.300 -0.158 0.000 1.357 669 I CB -0.300 37.497 38.000 -0.339 0.000 1.051 669 I HN 0.251 nan 8.210 nan 0.000 0.409 670 M N -0.605 118.979 119.600 -0.026 0.000 2.159 670 M HA -0.231 4.252 4.480 0.006 0.000 0.263 670 M C 2.502 178.757 176.300 -0.075 0.000 1.063 670 M CA 1.579 56.876 55.300 -0.006 0.000 1.110 670 M CB -0.757 31.767 32.600 -0.127 0.000 1.374 670 M HN 0.363 nan 8.290 nan 0.000 0.411 671 H N -0.058 118.813 119.070 -0.332 0.000 2.357 671 H HA -0.178 4.382 4.556 0.006 0.000 0.301 671 H C 1.468 176.764 175.328 -0.053 0.000 1.082 671 H CA 2.133 58.017 56.048 -0.274 0.000 1.342 671 H CB -0.113 29.400 29.762 -0.415 0.000 1.389 671 H HN 0.321 nan 8.280 nan 0.000 0.511 672 D N -0.192 120.127 120.400 -0.135 0.000 2.117 672 D HA -0.082 4.562 4.640 0.006 0.000 0.197 672 D C 2.465 178.677 176.300 -0.146 0.000 0.987 672 D CA 1.610 55.547 54.000 -0.105 0.000 0.829 672 D CB -0.745 40.093 40.800 0.062 0.000 0.961 672 D HN 0.529 nan 8.370 nan 0.000 0.460 673 G N 0.597 109.247 108.800 -0.251 0.000 2.440 673 G HA2 -0.241 3.722 3.960 0.006 0.000 0.218 673 G HA3 -0.241 3.722 3.960 0.006 0.000 0.218 673 G C 1.797 176.548 174.900 -0.248 0.000 1.154 673 G CA 0.600 45.242 45.100 -0.763 0.000 0.767 673 G HN 0.350 nan 8.290 nan 0.000 0.552 674 L N -0.089 121.188 121.223 0.091 0.000 1.989 674 L HA -0.135 4.208 4.340 0.006 0.000 0.211 674 L C 2.923 179.837 176.870 0.073 0.000 1.071 674 L CA 1.990 56.954 54.840 0.207 0.000 0.749 674 L CB -0.254 41.914 42.059 0.181 0.000 0.890 674 L HN 0.293 nan 8.230 nan 0.000 0.431 675 E N 0.202 120.341 120.200 -0.102 0.000 2.051 675 E HA -0.222 4.132 4.350 0.006 0.000 0.192 675 E C 2.199 178.775 176.600 -0.040 0.000 0.991 675 E CA 1.469 57.819 56.400 -0.084 0.000 0.799 675 E CB 0.019 29.602 29.700 -0.196 0.000 0.748 675 E HN 0.264 nan 8.360 nan 0.000 0.449 676 R N -0.662 119.801 120.500 -0.062 0.000 2.073 676 R HA -0.070 4.274 4.340 0.006 0.000 0.234 676 R C 2.559 178.798 176.300 -0.101 0.000 1.134 676 R CA 2.003 58.074 56.100 -0.049 0.000 0.952 676 R CB -0.296 30.009 30.300 0.009 0.000 0.850 676 R HN 0.299 nan 8.270 nan 0.000 0.433 677 M N -1.421 118.090 119.600 -0.148 0.000 2.216 677 M HA -0.060 4.423 4.480 0.006 0.000 0.264 677 M C 0.953 176.944 176.300 -0.514 0.000 1.080 677 M CA 1.543 56.636 55.300 -0.345 0.000 1.153 677 M CB 0.148 32.524 32.600 -0.374 0.000 1.356 677 M HN 0.102 nan 8.290 nan 0.000 0.432 678 Y N -0.049 120.282 120.300 0.052 0.000 2.507 678 Y HA 0.372 4.925 4.550 0.006 0.000 0.254 678 Y C 1.275 177.329 175.900 0.256 0.000 1.171 678 Y CA -0.711 57.519 58.100 0.215 0.000 1.238 678 Y CB 0.012 38.533 38.460 0.102 0.000 1.148 678 Y HN 0.067 nan 8.280 nan 0.000 0.525 679 G N -0.332 108.570 108.800 0.169 0.000 2.557 679 G HA2 0.109 4.073 3.960 0.006 0.000 0.302 679 G HA3 0.109 4.073 3.960 0.006 0.000 0.302 679 G C 0.669 175.590 174.900 0.035 0.000 1.311 679 G CA -0.375 44.797 45.100 0.120 0.000 1.030 679 G HN 0.143 nan 8.290 nan 0.000 0.509 680 E N -0.393 119.814 120.200 0.012 0.000 2.219 680 E HA -0.208 4.146 4.350 0.006 0.000 0.198 680 E C 2.079 178.620 176.600 -0.097 0.000 0.998 680 E CA 1.039 57.410 56.400 -0.049 0.000 0.818 680 E CB -0.002 29.686 29.700 -0.020 0.000 0.741 680 E HN 0.568 nan 8.360 nan 0.000 0.477 681 K N 0.862 121.217 120.400 -0.075 0.000 2.103 681 K HA -0.173 4.150 4.320 0.006 0.000 0.207 681 K C 0.507 177.020 176.600 -0.145 0.000 1.048 681 K CA 0.856 57.090 56.287 -0.088 0.000 0.930 681 K CB 0.074 32.537 32.500 -0.061 0.000 0.716 681 K HN 0.045 nan 8.250 nan 0.000 0.444 682 Q N 1.124 120.804 119.800 -0.200 0.000 2.439 682 Q HA -0.203 4.140 4.340 0.006 0.000 0.325 682 Q C -0.983 174.870 176.000 -0.245 0.000 1.372 682 Q CA 0.611 56.230 55.803 -0.307 0.000 0.909 682 Q CB -1.403 27.083 28.738 -0.420 0.000 1.167 682 Q HN 0.448 nan 8.270 nan 0.000 0.418 683 E N 0.920 121.006 120.200 -0.190 0.000 2.344 683 E HA 0.047 4.401 4.350 0.006 0.000 0.270 683 E C -0.084 176.430 176.600 -0.144 0.000 1.021 683 E CA -0.338 55.986 56.400 -0.127 0.000 0.887 683 E CB 0.557 30.215 29.700 -0.070 0.000 0.997 683 E HN 0.167 nan 8.360 nan 0.000 0.429 684 N N 3.924 122.569 118.700 -0.092 0.000 2.605 684 N HA 0.138 4.881 4.740 0.006 0.000 0.258 684 N C -1.098 174.403 175.510 -0.014 0.000 1.156 684 N CA 0.117 53.137 53.050 -0.050 0.000 1.008 684 N CB 0.920 39.406 38.487 -0.001 0.000 1.354 684 N HN 0.152 nan 8.380 nan 0.000 0.509 685 V N 2.658 122.576 119.914 0.005 0.000 3.147 685 V HA 0.497 4.620 4.120 0.006 0.000 0.299 685 V C -1.710 174.485 176.094 0.168 0.000 1.302 685 V CA -0.860 61.462 62.300 0.036 0.000 1.015 685 V CB 2.127 33.960 31.823 0.017 0.000 1.086 685 V HN 0.492 nan 8.190 nan 0.000 0.437 686 Y N 2.877 123.267 120.300 0.150 0.000 2.562 686 Y HA 0.864 5.418 4.550 0.006 0.000 0.343 686 Y C -1.587 174.506 175.900 0.321 0.000 1.025 686 Y CA -1.432 56.810 58.100 0.237 0.000 1.082 686 Y CB 1.264 39.963 38.460 0.399 0.000 1.264 686 Y HN 0.505 nan 8.280 nan 0.000 0.478 687 Y N 1.425 121.874 120.300 0.249 0.000 2.420 687 Y HA 0.462 5.016 4.550 0.006 0.000 0.334 687 Y C -1.086 175.098 175.900 0.474 0.000 1.094 687 Y CA -1.404 56.837 58.100 0.235 0.000 1.126 687 Y CB 1.610 40.092 38.460 0.038 0.000 1.217 687 Y HN 0.692 nan 8.280 nan 0.000 0.462 688 Y N 4.033 124.543 120.300 0.350 0.000 2.346 688 Y HA 0.664 5.217 4.550 0.006 0.000 0.332 688 Y C -1.585 174.482 175.900 0.278 0.000 0.985 688 Y CA -1.910 56.374 58.100 0.306 0.000 1.112 688 Y CB 0.667 39.298 38.460 0.285 0.000 1.170 688 Y HN 0.479 nan 8.280 nan 0.000 0.447 689 I N 6.110 126.575 120.570 -0.175 0.000 2.447 689 I HA 0.323 4.496 4.170 0.006 0.000 0.287 689 I C -0.450 175.370 176.117 -0.496 0.000 1.023 689 I CA -0.919 60.261 61.300 -0.200 0.000 1.083 689 I CB 2.274 40.319 38.000 0.076 0.000 1.245 689 I HN 0.634 nan 8.210 nan 0.000 0.434 690 T N 1.474 115.758 114.554 -0.450 0.000 2.817 690 T HA 0.566 4.920 4.350 0.006 0.000 0.293 690 T C 0.142 174.763 174.700 -0.131 0.000 0.964 690 T CA -0.627 61.282 62.100 -0.319 0.000 1.085 690 T CB 1.239 70.051 68.868 -0.094 0.000 0.921 690 T HN 0.698 nan 8.240 nan 0.000 0.502 691 T N 0.856 115.321 114.554 -0.149 0.000 2.926 691 T HA 0.765 5.119 4.350 0.006 0.000 0.289 691 T C -0.474 174.204 174.700 -0.036 0.000 1.054 691 T CA -1.108 60.944 62.100 -0.080 0.000 1.015 691 T CB 1.000 69.795 68.868 -0.121 0.000 1.167 691 T HN 0.556 nan 8.240 nan 0.000 0.526 692 L N 1.667 122.886 121.223 -0.007 0.000 2.303 692 L HA 0.567 4.911 4.340 0.006 0.000 0.266 692 L C 0.844 177.708 176.870 -0.011 0.000 1.011 692 L CA -1.178 53.665 54.840 0.006 0.000 0.818 692 L CB 1.449 43.533 42.059 0.041 0.000 1.326 692 L HN 0.881 nan 8.230 nan 0.000 0.435 693 N N -0.668 118.025 118.700 -0.010 0.000 2.214 693 N HA 0.026 4.769 4.740 0.006 0.000 0.214 693 N C -0.206 175.288 175.510 -0.025 0.000 1.132 693 N CA -0.190 52.843 53.050 -0.029 0.000 0.856 693 N CB 0.463 38.920 38.487 -0.050 0.000 1.020 693 N HN 0.695 nan 8.380 nan 0.000 0.509 694 E N 0.769 120.958 120.200 -0.018 0.000 2.156 694 E HA 0.234 4.588 4.350 0.006 0.000 0.279 694 E C -1.008 175.508 176.600 -0.139 0.000 0.965 694 E CA -0.638 55.765 56.400 0.005 0.000 0.789 694 E CB 0.675 30.459 29.700 0.141 0.000 1.098 694 E HN 0.085 nan 8.360 nan 0.000 0.397 695 N N 3.161 121.812 118.700 -0.082 0.000 2.479 695 N HA 0.298 5.042 4.740 0.006 0.000 0.285 695 N C -1.167 174.332 175.510 -0.018 0.000 1.075 695 N CA -0.002 52.959 53.050 -0.149 0.000 0.967 695 N CB 0.832 39.291 38.487 -0.047 0.000 1.137 695 N HN 0.406 nan 8.380 nan 0.000 0.472 696 Y N -2.624 117.725 120.300 0.081 0.000 2.750 696 Y HA 0.306 4.860 4.550 0.006 0.000 0.335 696 Y C -0.271 175.709 175.900 0.132 0.000 1.252 696 Y CA -1.208 56.956 58.100 0.106 0.000 1.064 696 Y CB 0.472 38.995 38.460 0.105 0.000 1.321 696 Y HN 0.446 nan 8.280 nan 0.000 0.451 697 H N 3.301 122.572 119.070 0.335 0.000 3.034 697 H HA 0.181 4.740 4.556 0.006 0.000 0.324 697 H C -0.871 174.615 175.328 0.263 0.000 1.015 697 H CA 0.512 56.687 56.048 0.212 0.000 1.429 697 H CB 0.704 30.542 29.762 0.126 0.000 1.429 697 H HN 0.555 nan 8.280 nan 0.000 0.585 698 M N 8.555 127.905 119.600 -0.416 0.000 2.036 698 M HA 0.240 4.724 4.480 0.006 0.000 0.337 698 M C -2.389 173.587 176.300 -0.540 0.000 1.012 698 M CA -2.343 52.785 55.300 -0.288 0.000 0.962 698 M CB 1.057 33.604 32.600 -0.089 0.000 1.423 698 M HN 0.483 nan 8.290 nan 0.000 0.405 699 P HA 0.291 nan 4.420 nan 0.000 0.274 699 P C -0.505 176.772 177.300 -0.038 0.000 1.256 699 P CA -0.388 62.574 63.100 -0.231 0.000 0.795 699 P CB 0.763 32.363 31.700 -0.166 0.000 1.038 700 A N 2.180 124.962 122.820 -0.063 0.000 2.386 700 A HA 0.330 4.654 4.320 0.006 0.000 0.248 700 A C 0.631 177.953 177.584 -0.437 0.000 1.082 700 A CA -0.569 51.386 52.037 -0.136 0.000 0.789 700 A CB -0.285 18.651 19.000 -0.107 0.000 1.025 700 A HN 0.704 nan 8.150 nan 0.000 0.490 701 M N 2.356 121.481 119.600 -0.791 0.000 2.219 701 M HA 0.259 4.742 4.480 0.006 0.000 0.353 701 M C -2.195 173.745 176.300 -0.599 0.000 1.304 701 M CA -1.416 53.052 55.300 -1.387 0.000 1.115 701 M CB 0.341 32.312 32.600 -1.048 0.000 1.664 701 M HN 0.334 nan 8.290 nan 0.000 0.459 702 P HA 0.036 nan 4.420 nan 0.000 0.268 702 P C -1.216 175.976 177.300 -0.181 0.000 1.205 702 P CA -0.058 62.928 63.100 -0.191 0.000 0.771 702 P CB 0.386 32.055 31.700 -0.050 0.000 0.858 703 E N 1.842 121.973 120.200 -0.117 0.000 2.465 703 E HA 0.172 4.526 4.350 0.006 0.000 0.260 703 E C 1.082 177.638 176.600 -0.073 0.000 0.980 703 E CA 0.833 57.178 56.400 -0.091 0.000 0.927 703 E CB -0.475 29.190 29.700 -0.059 0.000 0.934 703 E HN 0.762 nan 8.360 nan 0.000 0.459 704 G N 2.880 111.637 108.800 -0.072 0.000 2.162 704 G HA2 -0.366 3.598 3.960 0.006 0.000 0.260 704 G HA3 -0.366 3.598 3.960 0.006 0.000 0.260 704 G C 0.775 175.640 174.900 -0.059 0.000 0.976 704 G CA 0.512 45.584 45.100 -0.047 0.000 0.655 704 G HN 0.769 nan 8.290 nan 0.000 0.533 705 A N -0.213 122.529 122.820 -0.130 0.000 2.208 705 A HA 0.421 4.744 4.320 0.006 0.000 0.209 705 A C 1.849 179.310 177.584 -0.204 0.000 1.161 705 A CA 1.738 53.637 52.037 -0.230 0.000 0.782 705 A CB -0.206 18.508 19.000 -0.476 0.000 0.816 705 A HN 0.566 nan 8.150 nan 0.000 0.477 706 E N 0.291 120.422 120.200 -0.115 0.000 2.048 706 E HA -0.268 4.086 4.350 0.006 0.000 0.202 706 E C 1.890 178.479 176.600 -0.019 0.000 1.021 706 E CA 1.747 58.111 56.400 -0.060 0.000 0.825 706 E CB -0.246 29.434 29.700 -0.033 0.000 0.756 706 E HN 0.604 nan 8.360 nan 0.000 0.454 707 E N 0.053 120.259 120.200 0.009 0.000 2.118 707 E HA -0.109 4.244 4.350 0.006 0.000 0.195 707 E C 2.091 178.719 176.600 0.047 0.000 0.992 707 E CA 1.480 57.901 56.400 0.035 0.000 0.804 707 E CB -0.728 29.009 29.700 0.061 0.000 0.741 707 E HN 0.299 nan 8.360 nan 0.000 0.458 708 G N 0.390 109.251 108.800 0.103 0.000 2.422 708 G HA2 -0.221 3.743 3.960 0.006 0.000 0.218 708 G HA3 -0.221 3.743 3.960 0.006 0.000 0.218 708 G C 1.700 176.716 174.900 0.193 0.000 1.146 708 G CA 0.863 46.098 45.100 0.224 0.000 0.769 708 G HN 0.321 nan 8.290 nan 0.000 0.547 709 I N 0.100 120.716 120.570 0.077 0.000 2.226 709 I HA -0.163 4.011 4.170 0.006 0.000 0.245 709 I C 3.064 179.267 176.117 0.144 0.000 1.100 709 I CA 1.024 62.401 61.300 0.127 0.000 1.374 709 I CB -0.151 37.863 38.000 0.023 0.000 1.057 709 I HN 0.094 nan 8.210 nan 0.000 0.413 710 R N 0.581 121.129 120.500 0.080 0.000 2.066 710 R HA -0.104 4.239 4.340 0.006 0.000 0.232 710 R C 2.256 178.632 176.300 0.126 0.000 1.131 710 R CA 0.960 57.130 56.100 0.116 0.000 0.955 710 R CB -0.208 30.131 30.300 0.066 0.000 0.851 710 R HN 0.194 nan 8.270 nan 0.000 0.432 711 K N -0.864 119.484 120.400 -0.085 0.000 2.211 711 K HA -0.010 4.314 4.320 0.006 0.000 0.203 711 K C 1.367 177.825 176.600 -0.237 0.000 1.050 711 K CA 1.364 57.429 56.287 -0.370 0.000 0.945 711 K CB 0.345 32.167 32.500 -1.131 0.000 0.732 711 K HN 0.523 nan 8.250 nan 0.000 0.451 712 G N 0.870 109.660 108.800 -0.017 0.000 2.367 712 G HA2 -0.134 3.829 3.960 0.006 0.000 0.181 712 G HA3 -0.134 3.829 3.960 0.006 0.000 0.181 712 G C 0.094 175.007 174.900 0.022 0.000 1.000 712 G CA -0.083 45.013 45.100 -0.007 0.000 0.693 712 G HN 0.281 nan 8.290 nan 0.000 0.480 713 I N 0.062 120.737 120.570 0.175 0.000 2.828 713 I HA 0.622 4.795 4.170 0.006 0.000 0.295 713 I C -1.661 174.699 176.117 0.407 0.000 1.459 713 I CA -1.453 59.957 61.300 0.183 0.000 1.015 713 I CB 1.832 39.847 38.000 0.026 0.000 1.345 713 I HN 0.506 nan 8.210 nan 0.000 0.449 714 Y N 3.662 124.093 120.300 0.217 0.000 2.592 714 Y HA 0.488 5.041 4.550 0.006 0.000 0.334 714 Y C -1.575 174.472 175.900 0.245 0.000 1.136 714 Y CA -1.234 57.004 58.100 0.230 0.000 1.042 714 Y CB 0.980 39.554 38.460 0.190 0.000 1.325 714 Y HN 0.489 nan 8.280 nan 0.000 0.457 715 K N 2.849 123.373 120.400 0.208 0.000 2.312 715 K HA 0.320 4.643 4.320 0.006 0.000 0.287 715 K C -0.026 176.557 176.600 -0.028 0.000 1.062 715 K CA -0.284 55.946 56.287 -0.096 0.000 0.934 715 K CB 0.742 33.173 32.500 -0.116 0.000 1.027 715 K HN 0.993 nan 8.250 nan 0.000 0.478 716 L N 3.115 124.243 121.223 -0.157 0.000 2.049 716 L HA -0.066 4.277 4.340 0.006 0.000 0.203 716 L C 0.558 177.432 176.870 0.007 0.000 1.074 716 L CA 1.268 56.116 54.840 0.014 0.000 0.749 716 L CB 0.063 42.125 42.059 0.005 0.000 0.907 716 L HN 0.806 nan 8.230 nan 0.000 0.439 717 E N -2.741 117.408 120.200 -0.086 0.000 2.422 717 E HA 0.258 4.612 4.350 0.006 0.000 0.280 717 E C -1.317 175.217 176.600 -0.110 0.000 1.091 717 E CA -0.838 55.524 56.400 -0.064 0.000 0.849 717 E CB 1.287 30.976 29.700 -0.018 0.000 1.353 717 E HN -0.299 nan 8.360 nan 0.000 0.449 718 T N 1.506 116.019 114.554 -0.068 0.000 2.812 718 T HA 0.509 4.863 4.350 0.006 0.000 0.282 718 T C -0.399 174.285 174.700 -0.026 0.000 0.990 718 T CA -0.589 61.475 62.100 -0.060 0.000 0.960 718 T CB 0.507 69.348 68.868 -0.045 0.000 0.948 718 T HN 0.326 nan 8.240 nan 0.000 0.438 719 I N 2.851 123.412 120.570 -0.015 0.000 2.377 719 I HA 0.368 4.541 4.170 0.006 0.000 0.293 719 I C 0.255 176.378 176.117 0.011 0.000 0.987 719 I CA -1.075 60.227 61.300 0.003 0.000 1.185 719 I CB 1.560 39.566 38.000 0.011 0.000 1.341 719 I HN 0.408 nan 8.210 nan 0.000 0.455 720 E N 4.159 124.367 120.200 0.013 0.000 2.366 720 E HA 0.575 4.929 4.350 0.006 0.000 0.266 720 E C 0.103 176.718 176.600 0.026 0.000 1.051 720 E CA -0.185 56.225 56.400 0.017 0.000 0.884 720 E CB 1.731 31.439 29.700 0.014 0.000 1.006 720 E HN 0.873 nan 8.360 nan 0.000 0.417 721 G N -0.182 108.635 108.800 0.029 0.000 2.715 721 G HA2 0.215 4.179 3.960 0.006 0.000 0.297 721 G HA3 0.215 4.179 3.960 0.006 0.000 0.297 721 G C 0.380 175.302 174.900 0.035 0.000 1.386 721 G CA -0.080 45.043 45.100 0.038 0.000 1.157 721 G HN 0.371 nan 8.290 nan 0.000 0.585 722 S N 1.335 117.055 115.700 0.033 0.000 2.470 722 S HA 0.005 4.479 4.470 0.006 0.000 0.225 722 S C 1.761 176.381 174.600 0.034 0.000 1.006 722 S CA 0.682 58.899 58.200 0.029 0.000 0.934 722 S CB 0.081 63.295 63.200 0.024 0.000 0.778 722 S HN 0.304 nan 8.310 nan 0.000 0.517 723 K N 1.590 122.016 120.400 0.044 0.000 2.418 723 K HA 0.447 4.771 4.320 0.006 0.000 0.195 723 K C 0.935 177.564 176.600 0.049 0.000 1.035 723 K CA 0.540 56.857 56.287 0.050 0.000 1.003 723 K CB 0.095 32.637 32.500 0.069 0.000 0.793 723 K HN 0.579 nan 8.250 nan 0.000 0.494 724 G N -0.912 107.916 108.800 0.047 0.000 2.322 724 G HA2 0.304 4.267 3.960 0.006 0.000 0.295 724 G HA3 0.304 4.267 3.960 0.006 0.000 0.295 724 G C -1.805 173.121 174.900 0.043 0.000 1.369 724 G CA -0.805 44.321 45.100 0.042 0.000 0.821 724 G HN -0.127 nan 8.290 nan 0.000 0.536 725 K N -0.271 120.153 120.400 0.041 0.000 2.535 725 K HA 0.671 4.994 4.320 0.006 0.000 0.251 725 K C -0.706 175.924 176.600 0.051 0.000 0.942 725 K CA -0.516 55.797 56.287 0.045 0.000 0.798 725 K CB 2.188 34.713 32.500 0.042 0.000 1.267 725 K HN 1.318 nan 8.250 nan 0.000 0.434 726 V N -0.385 119.565 119.914 0.060 0.000 3.167 726 V HA 0.613 4.736 4.120 0.006 0.000 0.310 726 V C -1.142 175.016 176.094 0.107 0.000 1.207 726 V CA -1.000 61.345 62.300 0.075 0.000 1.059 726 V CB 2.044 33.906 31.823 0.064 0.000 1.079 726 V HN 0.758 nan 8.190 nan 0.000 0.446 727 Q N 0.988 120.876 119.800 0.146 0.000 2.337 727 Q HA 0.768 5.112 4.340 0.006 0.000 0.266 727 Q C -1.589 174.547 176.000 0.226 0.000 1.023 727 Q CA -0.602 55.348 55.803 0.244 0.000 0.829 727 Q CB 2.605 31.516 28.738 0.288 0.000 1.306 727 Q HN 0.703 nan 8.270 nan 0.000 0.449 728 L N 3.409 124.783 121.223 0.251 0.000 2.381 728 L HA 0.554 4.898 4.340 0.006 0.000 0.274 728 L C -1.268 175.757 176.870 0.258 0.000 0.988 728 L CA -0.782 54.175 54.840 0.196 0.000 0.824 728 L CB 1.250 43.377 42.059 0.114 0.000 1.263 728 L HN 0.341 nan 8.230 nan 0.000 0.410 729 L N 2.344 123.707 121.223 0.234 0.000 2.362 729 L HA 0.974 5.318 4.340 0.006 0.000 0.271 729 L C 0.290 177.274 176.870 0.190 0.000 1.002 729 L CA -0.137 54.841 54.840 0.229 0.000 0.818 729 L CB 2.100 44.322 42.059 0.271 0.000 1.298 729 L HN 0.631 nan 8.230 nan 0.000 0.420 730 G N -0.050 108.829 108.800 0.132 0.000 2.692 730 G HA2 0.730 4.693 3.960 0.006 0.000 0.291 730 G HA3 0.730 4.693 3.960 0.006 0.000 0.291 730 G C -1.614 173.332 174.900 0.077 0.000 1.423 730 G CA -0.163 45.014 45.100 0.128 0.000 0.843 730 G HN 0.707 nan 8.290 nan 0.000 0.486 731 S N -1.066 114.714 115.700 0.134 0.000 2.638 731 S HA 0.864 5.337 4.470 0.006 0.000 0.274 731 S C 0.856 175.531 174.600 0.125 0.000 1.157 731 S CA 0.703 58.969 58.200 0.110 0.000 0.826 731 S CB 1.295 64.631 63.200 0.226 0.000 1.139 731 S HN 2.719 nan 8.310 nan 0.000 0.474 732 G N 2.161 111.020 108.800 0.099 0.000 2.627 732 G HA2 -0.360 3.604 3.960 0.006 0.000 0.312 732 G HA3 -0.360 3.604 3.960 0.006 0.000 0.312 732 G C 1.148 176.105 174.900 0.094 0.000 1.299 732 G CA 1.753 46.926 45.100 0.123 0.000 0.989 732 G HN 2.227 nan 8.290 nan 0.000 0.547 733 S N -0.598 115.193 115.700 0.151 0.000 2.474 733 S HA 0.065 4.539 4.470 0.006 0.000 0.235 733 S C 2.158 176.844 174.600 0.142 0.000 0.997 733 S CA 1.634 59.942 58.200 0.179 0.000 0.949 733 S CB 0.039 63.368 63.200 0.215 0.000 0.766 733 S HN 0.549 nan 8.310 nan 0.000 0.517 734 I N 1.220 121.868 120.570 0.129 0.000 3.059 734 I HA 0.145 4.319 4.170 0.006 0.000 0.270 734 I C 2.074 178.271 176.117 0.134 0.000 1.238 734 I CA 0.170 61.574 61.300 0.173 0.000 1.478 734 I CB -1.231 36.824 38.000 0.093 0.000 1.097 734 I HN 0.331 nan 8.210 nan 0.000 0.455 735 L N 2.343 123.578 121.223 0.021 0.000 2.043 735 L HA -0.213 4.131 4.340 0.006 0.000 0.212 735 L C 2.805 179.635 176.870 -0.066 0.000 1.075 735 L CA 1.961 56.776 54.840 -0.041 0.000 0.752 735 L CB -0.679 41.281 42.059 -0.165 0.000 0.891 735 L HN 0.336 nan 8.230 nan 0.000 0.432 736 R N -2.091 118.296 120.500 -0.189 0.000 2.193 736 R HA -0.173 4.170 4.340 0.006 0.000 0.229 736 R C 1.746 177.882 176.300 -0.273 0.000 1.110 736 R CA 1.810 57.758 56.100 -0.254 0.000 0.988 736 R CB -0.881 29.123 30.300 -0.493 0.000 0.871 736 R HN 0.492 nan 8.270 nan 0.000 0.458 737 H N -0.225 118.809 119.070 -0.060 0.000 2.482 737 H HA 0.104 4.664 4.556 0.006 0.000 0.286 737 H C 1.917 177.242 175.328 -0.005 0.000 1.017 737 H CA 1.110 57.145 56.048 -0.022 0.000 1.322 737 H CB 0.427 30.185 29.762 -0.006 0.000 1.426 737 H HN -0.053 nan 8.280 nan 0.000 0.546 738 V N 0.688 120.662 119.914 0.099 0.000 2.548 738 V HA -0.172 3.951 4.120 0.006 0.000 0.249 738 V C 2.118 178.239 176.094 0.046 0.000 1.055 738 V CA 1.542 63.886 62.300 0.073 0.000 1.065 738 V CB -0.220 31.648 31.823 0.076 0.000 0.681 738 V HN 0.382 nan 8.190 nan 0.000 0.462 739 R N -0.104 120.411 120.500 0.025 0.000 2.090 739 R HA -0.154 4.190 4.340 0.006 0.000 0.228 739 R C 2.335 178.644 176.300 0.015 0.000 1.110 739 R CA 1.442 57.555 56.100 0.023 0.000 0.973 739 R CB -0.239 30.080 30.300 0.030 0.000 0.869 739 R HN 0.627 nan 8.270 nan 0.000 0.440 740 E N 1.053 121.252 120.200 -0.002 0.000 2.077 740 E HA -0.174 4.179 4.350 0.006 0.000 0.193 740 E C 1.912 178.524 176.600 0.021 0.000 0.989 740 E CA 1.104 57.505 56.400 0.001 0.000 0.800 740 E CB -0.007 29.685 29.700 -0.014 0.000 0.746 740 E HN 0.326 nan 8.360 nan 0.000 0.452 741 A N 1.331 124.165 122.820 0.024 0.000 1.933 741 A HA -0.122 4.201 4.320 0.006 0.000 0.218 741 A C 2.417 180.028 177.584 0.046 0.000 1.175 741 A CA 1.829 53.879 52.037 0.022 0.000 0.628 741 A CB -0.787 18.225 19.000 0.020 0.000 0.814 741 A HN 0.431 nan 8.150 nan 0.000 0.444 742 A N -0.361 122.485 122.820 0.044 0.000 1.908 742 A HA -0.168 4.156 4.320 0.006 0.000 0.218 742 A C 1.951 179.569 177.584 0.057 0.000 1.181 742 A CA 1.757 53.822 52.037 0.048 0.000 0.627 742 A CB -0.404 18.616 19.000 0.033 0.000 0.818 742 A HN 0.478 nan 8.150 nan 0.000 0.445 743 E N -0.042 120.188 120.200 0.050 0.000 2.072 743 E HA -0.123 4.231 4.350 0.006 0.000 0.191 743 E C 2.013 178.661 176.600 0.079 0.000 0.985 743 E CA 1.007 57.438 56.400 0.052 0.000 0.801 743 E CB -0.448 29.273 29.700 0.036 0.000 0.750 743 E HN 0.734 nan 8.360 nan 0.000 0.452 744 I N 0.938 121.568 120.570 0.100 0.000 2.163 744 I HA -0.291 3.883 4.170 0.006 0.000 0.243 744 I C 2.525 178.795 176.117 0.256 0.000 1.085 744 I CA 0.947 62.347 61.300 0.168 0.000 1.347 744 I CB -0.298 37.813 38.000 0.185 0.000 1.044 744 I HN 0.042 nan 8.210 nan 0.000 0.408 745 L N 0.375 121.737 121.223 0.232 0.000 2.012 745 L HA -0.242 4.101 4.340 0.006 0.000 0.210 745 L C 2.815 179.820 176.870 0.224 0.000 1.073 745 L CA 1.541 56.544 54.840 0.271 0.000 0.748 745 L CB -0.679 41.460 42.059 0.134 0.000 0.891 745 L HN 0.267 nan 8.230 nan 0.000 0.431 746 A N -0.138 122.762 122.820 0.134 0.000 1.855 746 A HA -0.250 4.073 4.320 0.006 0.000 0.215 746 A C 2.393 180.021 177.584 0.074 0.000 1.191 746 A CA 2.033 54.124 52.037 0.091 0.000 0.613 746 A CB -0.453 18.582 19.000 0.060 0.000 0.829 746 A HN 0.327 nan 8.150 nan 0.000 0.442 747 K N -0.947 119.491 120.400 0.062 0.000 2.031 747 K HA -0.150 4.173 4.320 0.006 0.000 0.205 747 K C 1.066 177.654 176.600 -0.021 0.000 1.049 747 K CA 1.686 57.987 56.287 0.023 0.000 0.939 747 K CB -0.126 32.388 32.500 0.024 0.000 0.717 747 K HN 0.341 nan 8.250 nan 0.000 0.438 748 D N -1.065 119.311 120.400 -0.040 0.000 2.271 748 D HA -0.035 4.609 4.640 0.006 0.000 0.206 748 D C 0.649 176.629 176.300 -0.533 0.000 0.967 748 D CA 0.976 54.794 54.000 -0.303 0.000 0.867 748 D CB 0.253 40.810 40.800 -0.406 0.000 0.960 748 D HN 0.313 nan 8.370 nan 0.000 0.509 749 Y N -1.134 119.193 120.300 0.045 0.000 2.527 749 Y HA 0.343 4.897 4.550 0.006 0.000 0.247 749 Y C 1.647 177.565 175.900 0.029 0.000 1.138 749 Y CA -0.046 58.076 58.100 0.037 0.000 1.228 749 Y CB 0.980 39.469 38.460 0.049 0.000 1.252 749 Y HN -0.038 nan 8.280 nan 0.000 0.531 750 G N 0.933 109.810 108.800 0.128 0.000 2.168 750 G HA2 -0.280 3.683 3.960 0.006 0.000 0.257 750 G HA3 -0.280 3.683 3.960 0.006 0.000 0.257 750 G C -0.191 174.766 174.900 0.095 0.000 0.997 750 G CA 0.376 45.528 45.100 0.087 0.000 0.708 750 G HN 0.137 nan 8.290 nan 0.000 0.520 751 V N 1.003 120.994 119.914 0.127 0.000 2.406 751 V HA 0.656 4.779 4.120 0.006 0.000 0.272 751 V C 1.298 177.438 176.094 0.076 0.000 1.043 751 V CA 0.056 62.414 62.300 0.097 0.000 0.915 751 V CB 1.121 33.003 31.823 0.099 0.000 0.988 751 V HN 0.615 nan 8.190 nan 0.000 0.466 752 G N 3.738 112.572 108.800 0.056 0.000 2.580 752 G HA2 0.672 4.636 3.960 0.006 0.000 0.278 752 G HA3 0.672 4.636 3.960 0.006 0.000 0.278 752 G C -0.207 174.718 174.900 0.042 0.000 1.212 752 G CA 0.228 45.354 45.100 0.044 0.000 0.939 752 G HN 1.058 nan 8.290 nan 0.000 0.513 753 S N -1.003 114.714 115.700 0.029 0.000 2.587 753 S HA 0.466 4.939 4.470 0.006 0.000 0.269 753 S C -2.089 172.503 174.600 -0.012 0.000 1.154 753 S CA -0.995 57.221 58.200 0.027 0.000 0.824 753 S CB 2.298 65.520 63.200 0.037 0.000 1.118 753 S HN 0.419 nan 8.310 nan 0.000 0.462 754 D N 1.175 121.561 120.400 -0.023 0.000 2.344 754 D HA 0.550 5.194 4.640 0.006 0.000 0.239 754 D C -0.772 175.356 176.300 -0.287 0.000 1.064 754 D CA -0.184 53.705 54.000 -0.185 0.000 0.829 754 D CB 2.009 42.730 40.800 -0.132 0.000 1.129 754 D HN 0.449 nan 8.370 nan 0.000 0.506 755 V N 3.500 123.188 119.914 -0.377 0.000 2.398 755 V HA 0.344 4.468 4.120 0.006 0.000 0.286 755 V C -0.766 175.057 176.094 -0.451 0.000 1.026 755 V CA -0.661 61.487 62.300 -0.253 0.000 0.868 755 V CB 0.594 32.357 31.823 -0.100 0.000 0.982 755 V HN 0.355 nan 8.190 nan 0.000 0.443 756 Y N 1.797 122.059 120.300 -0.063 0.000 2.393 756 Y HA 0.575 5.128 4.550 0.006 0.000 0.341 756 Y C 0.478 176.246 175.900 -0.219 0.000 0.988 756 Y CA -0.709 57.296 58.100 -0.158 0.000 1.078 756 Y CB 2.150 40.537 38.460 -0.120 0.000 1.203 756 Y HN 0.542 nan 8.280 nan 0.000 0.453 757 S N 2.669 118.196 115.700 -0.288 0.000 2.422 757 S HA 0.489 4.963 4.470 0.006 0.000 0.308 757 S C -1.090 173.357 174.600 -0.255 0.000 1.097 757 S CA -0.684 57.342 58.200 -0.289 0.000 1.099 757 S CB 0.301 63.273 63.200 -0.380 0.000 0.976 757 S HN 0.670 nan 8.310 nan 0.000 0.471 758 V N 5.739 125.519 119.914 -0.223 0.000 2.311 758 V HA 0.465 4.588 4.120 0.006 0.000 0.275 758 V C 1.039 177.002 176.094 -0.219 0.000 1.022 758 V CA 0.206 62.302 62.300 -0.339 0.000 0.830 758 V CB 0.458 31.766 31.823 -0.858 0.000 1.012 758 V HN 1.031 nan 8.190 nan 0.000 0.452 759 T N 1.842 116.383 114.554 -0.022 0.000 2.995 759 T HA 0.066 4.419 4.350 0.006 0.000 0.269 759 T C 0.915 175.689 174.700 0.123 0.000 1.091 759 T CA 1.033 63.213 62.100 0.133 0.000 1.128 759 T CB -0.051 68.995 68.868 0.296 0.000 0.891 759 T HN 1.046 nan 8.240 nan 0.000 0.492 760 S N -0.516 115.122 115.700 -0.104 0.000 2.397 760 S HA 0.429 4.903 4.470 0.006 0.000 0.190 760 S C -0.062 174.353 174.600 -0.308 0.000 1.100 760 S CA -0.845 57.208 58.200 -0.246 0.000 1.150 760 S CB -0.535 62.339 63.200 -0.543 0.000 1.302 760 S HN 0.271 nan 8.310 nan 0.000 0.417 761 F N 1.889 121.609 119.950 -0.384 0.000 2.161 761 F HA -0.104 4.427 4.527 0.006 0.000 0.300 761 F C 2.634 178.251 175.800 -0.305 0.000 1.089 761 F CA 1.847 59.569 58.000 -0.463 0.000 1.282 761 F CB 0.004 38.423 39.000 -0.969 0.000 1.010 761 F HN 0.469 nan 8.300 nan 0.000 0.485 762 T N -0.969 113.559 114.554 -0.043 0.000 2.777 762 T HA -0.152 4.201 4.350 0.006 0.000 0.266 762 T C 1.804 176.441 174.700 -0.106 0.000 1.040 762 T CA 1.224 63.312 62.100 -0.020 0.000 1.141 762 T CB -0.171 68.725 68.868 0.047 0.000 0.868 762 T HN 0.117 nan 8.240 nan 0.000 0.444 763 E N 1.006 121.086 120.200 -0.201 0.000 2.150 763 E HA 0.036 4.389 4.350 0.006 0.000 0.193 763 E C 2.247 178.741 176.600 -0.177 0.000 0.985 763 E CA 0.566 56.830 56.400 -0.228 0.000 0.814 763 E CB -0.324 29.175 29.700 -0.335 0.000 0.752 763 E HN 0.472 nan 8.360 nan 0.000 0.466 764 L N 0.171 121.303 121.223 -0.152 0.000 2.093 764 L HA -0.107 4.237 4.340 0.006 0.000 0.208 764 L C 2.479 179.273 176.870 -0.127 0.000 1.085 764 L CA 0.997 55.770 54.840 -0.112 0.000 0.755 764 L CB -0.437 41.572 42.059 -0.082 0.000 0.904 764 L HN 0.045 nan 8.230 nan 0.000 0.435 765 A N 0.269 123.047 122.820 -0.071 0.000 1.873 765 A HA -0.197 4.126 4.320 0.006 0.000 0.215 765 A C 2.376 179.860 177.584 -0.166 0.000 1.186 765 A CA 1.424 53.434 52.037 -0.045 0.000 0.616 765 A CB -0.434 18.602 19.000 0.060 0.000 0.823 765 A HN 0.290 nan 8.150 nan 0.000 0.442 766 R N -0.318 120.105 120.500 -0.127 0.000 2.081 766 R HA -0.141 4.203 4.340 0.006 0.000 0.235 766 R C 2.125 178.319 176.300 -0.176 0.000 1.131 766 R CA 1.476 57.501 56.100 -0.125 0.000 0.960 766 R CB -0.448 29.788 30.300 -0.107 0.000 0.856 766 R HN 0.757 nan 8.270 nan 0.000 0.436 767 D N -0.119 120.164 120.400 -0.196 0.000 2.104 767 D HA -0.143 4.501 4.640 0.006 0.000 0.194 767 D C 1.833 177.959 176.300 -0.289 0.000 0.994 767 D CA 1.640 55.527 54.000 -0.189 0.000 0.830 767 D CB -0.119 40.595 40.800 -0.143 0.000 0.959 767 D HN 0.307 nan 8.370 nan 0.000 0.452 768 G N 0.312 108.781 108.800 -0.552 0.000 2.418 768 G HA2 -0.280 3.684 3.960 0.006 0.000 0.217 768 G HA3 -0.280 3.684 3.960 0.006 0.000 0.217 768 G C 1.721 176.142 174.900 -0.797 0.000 1.158 768 G CA 0.723 45.182 45.100 -1.069 0.000 0.771 768 G HN 0.384 nan 8.290 nan 0.000 0.545 769 Q N 0.174 119.646 119.800 -0.546 0.000 2.096 769 Q HA -0.124 4.219 4.340 0.006 0.000 0.204 769 Q C 2.251 178.233 176.000 -0.029 0.000 0.982 769 Q CA 1.496 57.245 55.803 -0.091 0.000 0.850 769 Q CB -0.137 28.597 28.738 -0.008 0.000 0.901 769 Q HN 0.344 nan 8.270 nan 0.000 0.422 770 D N -0.082 120.278 120.400 -0.067 0.000 2.144 770 D HA -0.136 4.507 4.640 0.006 0.000 0.199 770 D C 1.905 178.241 176.300 0.060 0.000 0.984 770 D CA 0.867 54.869 54.000 0.003 0.000 0.834 770 D CB -0.397 40.382 40.800 -0.034 0.000 0.955 770 D HN 0.267 nan 8.370 nan 0.000 0.465 771 C N 0.981 120.280 119.300 -0.001 0.000 2.453 771 C HA -0.058 4.405 4.460 0.006 0.000 0.277 771 C C 2.515 177.609 174.990 0.173 0.000 1.262 771 C CA 0.449 59.500 59.018 0.055 0.000 1.718 771 C CB -0.511 27.218 27.740 -0.018 0.000 2.031 771 C HN 0.319 nan 8.230 nan 0.000 0.480 772 E N 0.520 120.808 120.200 0.148 0.000 2.150 772 E HA -0.146 4.207 4.350 0.006 0.000 0.193 772 E C 2.201 178.905 176.600 0.173 0.000 0.985 772 E CA 0.647 57.157 56.400 0.183 0.000 0.814 772 E CB -0.551 29.280 29.700 0.220 0.000 0.752 772 E HN 0.629 nan 8.360 nan 0.000 0.466 773 R N -0.314 120.283 120.500 0.161 0.000 2.073 773 R HA -0.175 4.168 4.340 0.006 0.000 0.234 773 R C 2.197 178.606 176.300 0.181 0.000 1.134 773 R CA 1.709 57.891 56.100 0.137 0.000 0.952 773 R CB -0.557 29.814 30.300 0.119 0.000 0.850 773 R HN 0.242 nan 8.270 nan 0.000 0.433 774 W N 2.108 123.459 121.300 0.085 0.000 2.358 774 W HA -0.164 4.499 4.660 0.006 0.000 0.303 774 W C 1.730 178.387 176.519 0.231 0.000 1.208 774 W CA 1.706 59.147 57.345 0.160 0.000 1.274 774 W CB -0.245 29.241 29.460 0.042 0.000 1.138 774 W HN 0.186 nan 8.180 nan 0.000 0.515 775 N N 0.713 119.695 118.700 0.470 0.000 2.043 775 N HA -0.271 4.472 4.740 0.006 0.000 0.193 775 N C 1.748 177.289 175.510 0.052 0.000 1.037 775 N CA 2.651 55.888 53.050 0.312 0.000 0.851 775 N CB -1.339 37.318 38.487 0.282 0.000 1.027 775 N HN 0.452 nan 8.380 nan 0.000 0.422 776 M N -0.984 118.643 119.600 0.045 0.000 2.358 776 M HA 0.022 4.505 4.480 0.006 0.000 0.264 776 M C 1.047 177.275 176.300 -0.120 0.000 1.064 776 M CA 1.476 56.763 55.300 -0.022 0.000 1.093 776 M CB -0.065 32.537 32.600 0.004 0.000 1.401 776 M HN -0.081 nan 8.290 nan 0.000 0.440 777 L N -0.400 120.705 121.223 -0.197 0.000 2.509 777 L HA 0.146 4.489 4.340 0.006 0.000 0.222 777 L C 0.172 176.554 176.870 -0.813 0.000 1.123 777 L CA 0.956 55.544 54.840 -0.422 0.000 0.856 777 L CB -0.808 41.007 42.059 -0.406 0.000 0.985 777 L HN 0.456 nan 8.230 nan 0.000 0.456 778 H N -1.637 117.102 119.070 -0.552 0.000 2.511 778 H HA 0.235 4.795 4.556 0.006 0.000 0.228 778 H C -1.624 173.516 175.328 -0.313 0.000 1.424 778 H CA -1.422 54.279 56.048 -0.578 0.000 1.321 778 H CB 0.250 29.277 29.762 -1.224 0.000 1.720 778 H HN -0.066 nan 8.280 nan 0.000 0.512 779 P HA -0.179 nan 4.420 nan 0.000 0.217 779 P C 0.854 178.149 177.300 -0.009 0.000 1.148 779 P CA 1.175 64.244 63.100 -0.050 0.000 0.828 779 P CB 0.503 32.166 31.700 -0.061 0.000 0.783 780 L N -1.903 119.314 121.223 -0.011 0.000 2.592 780 L HA 0.238 4.582 4.340 0.006 0.000 0.227 780 L C 1.249 178.151 176.870 0.053 0.000 1.127 780 L CA 0.031 54.881 54.840 0.017 0.000 0.884 780 L CB -0.599 41.464 42.059 0.006 0.000 1.065 780 L HN -0.089 nan 8.230 nan 0.000 0.457 781 E N 0.003 120.253 120.200 0.083 0.000 2.254 781 E HA 0.248 4.601 4.350 0.006 0.000 0.261 781 E C -0.202 176.523 176.600 0.208 0.000 1.051 781 E CA -0.587 55.913 56.400 0.166 0.000 0.902 781 E CB 1.149 31.006 29.700 0.263 0.000 1.168 781 E HN -0.081 nan 8.360 nan 0.000 0.423 782 T N 3.877 118.556 114.554 0.209 0.000 2.784 782 T HA 0.116 4.469 4.350 0.006 0.000 0.291 782 T C -2.273 172.559 174.700 0.220 0.000 0.942 782 T CA -1.016 61.176 62.100 0.154 0.000 1.161 782 T CB 0.052 68.969 68.868 0.082 0.000 0.885 782 T HN 0.187 nan 8.240 nan 0.000 0.534 783 P HA 0.168 nan 4.420 nan 0.000 0.268 783 P C 0.056 177.406 177.300 0.084 0.000 1.204 783 P CA -0.324 62.904 63.100 0.213 0.000 0.768 783 P CB 0.549 32.339 31.700 0.149 0.000 0.842 784 R N 1.463 121.995 120.500 0.052 0.000 2.390 784 R HA 0.374 4.718 4.340 0.006 0.000 0.291 784 R C -0.579 175.712 176.300 -0.015 0.000 1.070 784 R CA -0.772 55.275 56.100 -0.087 0.000 1.014 784 R CB 0.603 30.774 30.300 -0.215 0.000 1.007 784 R HN 0.258 nan 8.270 nan 0.000 0.466 785 V N 5.219 125.110 119.914 -0.039 0.000 2.394 785 V HA 0.212 4.336 4.120 0.006 0.000 0.282 785 V C -2.013 174.063 176.094 -0.030 0.000 1.031 785 V CA -2.343 59.945 62.300 -0.020 0.000 0.881 785 V CB 1.414 33.217 31.823 -0.033 0.000 0.982 785 V HN 0.637 nan 8.190 nan 0.000 0.451 786 P HA -0.035 nan 4.420 nan 0.000 0.264 786 P C 0.367 177.656 177.300 -0.017 0.000 1.183 786 P CA 0.269 63.346 63.100 -0.039 0.000 0.763 786 P CB 0.331 32.013 31.700 -0.029 0.000 0.807 787 Y N 4.028 124.269 120.300 -0.099 0.000 2.151 787 Y HA -0.240 4.313 4.550 0.006 0.000 0.284 787 Y C 2.015 177.874 175.900 -0.069 0.000 1.166 787 Y CA 1.538 59.594 58.100 -0.074 0.000 1.163 787 Y CB -0.417 37.999 38.460 -0.074 0.000 0.974 787 Y HN 0.331 nan 8.280 nan 0.000 0.511 788 I N -0.351 120.235 120.570 0.027 0.000 2.454 788 I HA -0.253 3.921 4.170 0.006 0.000 0.254 788 I C 2.160 178.190 176.117 -0.144 0.000 1.156 788 I CA 1.416 62.678 61.300 -0.062 0.000 1.433 788 I CB -0.266 37.707 38.000 -0.045 0.000 1.082 788 I HN 0.324 nan 8.210 nan 0.000 0.432 789 A N -0.494 122.263 122.820 -0.105 0.000 2.167 789 A HA -0.089 4.234 4.320 0.006 0.000 0.214 789 A C 1.947 179.455 177.584 -0.127 0.000 1.151 789 A CA 0.647 52.625 52.037 -0.098 0.000 0.735 789 A CB -0.286 18.689 19.000 -0.042 0.000 0.802 789 A HN 0.598 nan 8.150 nan 0.000 0.467 790 Q N -1.003 118.675 119.800 -0.204 0.000 2.319 790 Q HA 0.174 4.518 4.340 0.006 0.000 0.202 790 Q C 0.977 176.835 176.000 -0.236 0.000 0.896 790 Q CA 0.293 55.958 55.803 -0.229 0.000 0.942 790 Q CB 0.597 29.142 28.738 -0.323 0.000 1.083 790 Q HN 0.485 nan 8.270 nan 0.000 0.510 791 V N -0.653 119.132 119.914 -0.215 0.000 2.996 791 V HA 0.138 4.262 4.120 0.006 0.000 0.235 791 V C 0.789 176.870 176.094 -0.021 0.000 1.205 791 V CA 0.476 62.714 62.300 -0.102 0.000 1.225 791 V CB 0.392 32.154 31.823 -0.102 0.000 0.995 791 V HN 0.238 nan 8.190 nan 0.000 0.484 792 M N 1.510 121.000 119.600 -0.183 0.000 2.283 792 M HA 0.323 4.807 4.480 0.006 0.000 0.314 792 M C 0.241 176.507 176.300 -0.056 0.000 1.153 792 M CA 0.089 55.260 55.300 -0.214 0.000 1.084 792 M CB 0.856 33.228 32.600 -0.380 0.000 1.468 792 M HN 0.535 nan 8.290 nan 0.000 0.474 793 N N -0.558 118.146 118.700 0.007 0.000 3.124 793 N HA 0.320 5.063 4.740 0.006 0.000 0.350 793 N C -0.453 175.057 175.510 0.001 0.000 1.411 793 N CA -0.680 52.380 53.050 0.017 0.000 0.729 793 N CB 0.270 38.789 38.487 0.054 0.000 1.379 793 N HN 0.606 nan 8.380 nan 0.000 0.599 794 D N -1.527 118.881 120.400 0.013 0.000 2.369 794 D HA 0.208 4.851 4.640 0.006 0.000 0.211 794 D C 0.087 176.402 176.300 0.025 0.000 1.077 794 D CA -0.438 53.568 54.000 0.009 0.000 0.842 794 D CB -0.513 40.290 40.800 0.006 0.000 0.947 794 D HN 0.644 nan 8.370 nan 0.000 0.509 795 A N 1.950 124.796 122.820 0.043 0.000 2.466 795 A HA 0.371 4.694 4.320 0.006 0.000 0.238 795 A C -2.130 175.490 177.584 0.060 0.000 1.074 795 A CA -0.922 51.147 52.037 0.052 0.000 0.774 795 A CB -0.281 18.759 19.000 0.067 0.000 1.015 795 A HN 0.083 nan 8.150 nan 0.000 0.498 796 P HA 0.245 nan 4.420 nan 0.000 0.264 796 P C -0.481 176.875 177.300 0.094 0.000 1.183 796 P CA 0.554 63.694 63.100 0.066 0.000 0.763 796 P CB 0.618 32.346 31.700 0.048 0.000 0.807 797 A N 3.239 126.139 122.820 0.133 0.000 2.356 797 A HA 0.701 5.024 4.320 0.006 0.000 0.323 797 A C -0.914 176.767 177.584 0.160 0.000 1.119 797 A CA -0.673 51.477 52.037 0.187 0.000 0.790 797 A CB 1.486 20.643 19.000 0.262 0.000 1.273 797 A HN 0.327 nan 8.150 nan 0.000 0.452 798 V N 0.531 120.524 119.914 0.132 0.000 2.638 798 V HA 0.756 4.879 4.120 0.006 0.000 0.306 798 V C 0.095 176.231 176.094 0.070 0.000 1.052 798 V CA -0.198 62.122 62.300 0.033 0.000 0.885 798 V CB 1.590 33.430 31.823 0.029 0.000 0.999 798 V HN 1.411 nan 8.190 nan 0.000 0.424 799 A N 2.920 125.717 122.820 -0.038 0.000 2.374 799 A HA 0.952 5.275 4.320 0.006 0.000 0.317 799 A C -0.515 177.066 177.584 -0.004 0.000 1.094 799 A CA -0.609 51.463 52.037 0.058 0.000 0.765 799 A CB 2.091 21.150 19.000 0.098 0.000 1.268 799 A HN 0.829 nan 8.150 nan 0.000 0.438 800 S N -0.065 115.679 115.700 0.074 0.000 2.546 800 S HA 0.823 5.297 4.470 0.006 0.000 0.272 800 S C -0.524 174.148 174.600 0.119 0.000 1.140 800 S CA 0.281 58.513 58.200 0.053 0.000 0.920 800 S CB 1.415 64.644 63.200 0.047 0.000 1.083 800 S HN 1.911 nan 8.310 nan 0.000 0.476 801 T N 0.449 115.073 114.554 0.117 0.000 2.787 801 T HA 0.481 4.834 4.350 0.006 0.000 0.297 801 T C -0.514 174.244 174.700 0.097 0.000 1.221 801 T CA -0.510 61.716 62.100 0.210 0.000 1.006 801 T CB 1.429 70.560 68.868 0.439 0.000 1.328 801 T HN 0.296 nan 8.240 nan 0.000 0.509 802 D N -0.376 120.058 120.400 0.056 0.000 2.324 802 D HA 0.253 4.897 4.640 0.006 0.000 0.235 802 D C -0.741 175.199 176.300 -0.600 0.000 1.095 802 D CA 0.187 54.033 54.000 -0.257 0.000 0.871 802 D CB -0.339 40.282 40.800 -0.298 0.000 0.906 802 D HN 0.432 nan 8.370 nan 0.000 0.522 803 Y N -0.262 120.017 120.300 -0.035 0.000 2.621 803 Y HA 0.335 4.888 4.550 0.006 0.000 0.334 803 Y C 0.896 176.775 175.900 -0.035 0.000 1.074 803 Y CA -1.491 56.571 58.100 -0.063 0.000 1.149 803 Y CB 0.758 39.139 38.460 -0.133 0.000 1.302 803 Y HN -0.196 nan 8.280 nan 0.000 0.501 804 M N 0.088 119.751 119.600 0.105 0.000 2.252 804 M HA 0.152 4.635 4.480 0.006 0.000 0.321 804 M C 0.595 176.933 176.300 0.064 0.000 1.070 804 M CA 0.029 55.354 55.300 0.041 0.000 1.143 804 M CB 0.439 33.058 32.600 0.032 0.000 1.498 804 M HN 0.682 nan 8.290 nan 0.000 0.445 805 K N 0.742 121.138 120.400 -0.007 0.000 2.107 805 K HA -0.215 4.109 4.320 0.006 0.000 0.211 805 K C 1.741 178.304 176.600 -0.062 0.000 1.049 805 K CA 1.749 58.004 56.287 -0.054 0.000 0.927 805 K CB -0.505 31.947 32.500 -0.079 0.000 0.714 805 K HN 0.628 nan 8.250 nan 0.000 0.452 806 L N 0.596 121.810 121.223 -0.014 0.000 2.129 806 L HA -0.181 4.162 4.340 0.006 0.000 0.212 806 L C 1.936 178.808 176.870 0.003 0.000 1.087 806 L CA 1.476 56.310 54.840 -0.009 0.000 0.757 806 L CB -0.540 41.530 42.059 0.019 0.000 0.896 806 L HN 0.124 nan 8.230 nan 0.000 0.434 807 F N 0.196 120.070 119.950 -0.126 0.000 2.126 807 F HA -0.218 4.312 4.527 0.006 0.000 0.299 807 F C 2.186 177.705 175.800 -0.469 0.000 1.096 807 F CA 1.558 59.451 58.000 -0.178 0.000 1.255 807 F CB -0.664 38.280 39.000 -0.093 0.000 0.997 807 F HN 0.155 nan 8.300 nan 0.000 0.479 808 A N -0.889 121.474 122.820 -0.762 0.000 2.044 808 A HA 0.030 4.353 4.320 0.006 0.000 0.213 808 A C 2.070 179.319 177.584 -0.558 0.000 1.169 808 A CA 0.724 51.909 52.037 -1.420 0.000 0.724 808 A CB -0.607 17.753 19.000 -1.067 0.000 0.840 808 A HN 0.421 nan 8.150 nan 0.000 0.463 809 E N 0.284 120.320 120.200 -0.274 0.000 2.338 809 E HA -0.211 4.142 4.350 0.006 0.000 0.197 809 E C 2.062 178.662 176.600 0.001 0.000 1.007 809 E CA 0.992 57.358 56.400 -0.057 0.000 0.849 809 E CB -0.101 29.550 29.700 -0.082 0.000 0.774 809 E HN 0.893 nan 8.360 nan 0.000 0.506 810 Q N 0.132 119.898 119.800 -0.057 0.000 2.364 810 Q HA -0.120 4.224 4.340 0.006 0.000 0.209 810 Q C 1.750 177.805 176.000 0.092 0.000 0.977 810 Q CA 1.544 57.355 55.803 0.014 0.000 0.885 810 Q CB -0.206 28.540 28.738 0.013 0.000 0.941 810 Q HN 0.296 nan 8.270 nan 0.000 0.464 811 V N -2.822 117.153 119.914 0.102 0.000 3.621 811 V HA 0.211 4.335 4.120 0.006 0.000 0.285 811 V C 2.029 178.102 176.094 -0.035 0.000 1.346 811 V CA 0.353 62.763 62.300 0.184 0.000 1.104 811 V CB -0.239 31.707 31.823 0.204 0.000 0.913 811 V HN 0.129 nan 8.190 nan 0.000 0.432 812 R N 2.231 122.697 120.500 -0.056 0.000 2.136 812 R HA -0.194 4.150 4.340 0.006 0.000 0.242 812 R C 2.134 178.258 176.300 -0.293 0.000 1.131 812 R CA 2.959 58.989 56.100 -0.116 0.000 0.937 812 R CB -1.549 28.773 30.300 0.036 0.000 0.863 812 R HN 0.516 nan 8.270 nan 0.000 0.435 813 T N -0.266 114.003 114.554 -0.476 0.000 2.760 813 T HA -0.204 4.149 4.350 0.006 0.000 0.269 813 T C 1.093 175.372 174.700 -0.703 0.000 1.047 813 T CA 1.962 63.658 62.100 -0.674 0.000 1.139 813 T CB -0.366 67.914 68.868 -0.980 0.000 0.855 813 T HN 0.474 nan 8.240 nan 0.000 0.471 814 Y N -0.096 120.153 120.300 -0.085 0.000 2.449 814 Y HA 0.382 4.936 4.550 0.006 0.000 0.254 814 Y C 0.874 176.685 175.900 -0.149 0.000 1.140 814 Y CA -0.724 57.320 58.100 -0.093 0.000 1.272 814 Y CB 0.052 38.470 38.460 -0.070 0.000 1.114 814 Y HN -0.081 nan 8.280 nan 0.000 0.525 815 V N 5.286 125.094 119.914 -0.176 0.000 2.479 815 V HA 0.019 4.143 4.120 0.006 0.000 0.281 815 V C -1.426 174.568 176.094 -0.167 0.000 1.031 815 V CA -1.307 60.833 62.300 -0.267 0.000 1.038 815 V CB 0.801 32.272 31.823 -0.585 0.000 0.981 815 V HN 0.128 nan 8.190 nan 0.000 0.478 816 P HA 0.178 nan 4.420 nan 0.000 0.269 816 P C -0.100 177.164 177.300 -0.059 0.000 1.461 816 P CA 0.352 63.407 63.100 -0.074 0.000 0.809 816 P CB 0.257 31.920 31.700 -0.061 0.000 1.503 817 A N 0.277 123.055 122.820 -0.069 0.000 2.380 817 A HA 0.455 4.779 4.320 0.006 0.000 0.315 817 A C 0.692 178.273 177.584 -0.005 0.000 1.101 817 A CA -0.625 51.398 52.037 -0.025 0.000 0.771 817 A CB 1.114 20.111 19.000 -0.005 0.000 1.287 817 A HN -0.041 nan 8.150 nan 0.000 0.436 818 D N 0.390 120.796 120.400 0.011 0.000 2.097 818 D HA -0.057 4.587 4.640 0.006 0.000 0.195 818 D C 0.004 176.325 176.300 0.035 0.000 0.989 818 D CA 1.284 55.293 54.000 0.016 0.000 0.827 818 D CB 0.097 40.907 40.800 0.015 0.000 0.966 818 D HN 0.410 nan 8.370 nan 0.000 0.456 819 D N -1.358 119.075 120.400 0.055 0.000 2.278 819 D HA 0.249 4.892 4.640 0.006 0.000 0.245 819 D C -1.692 174.697 176.300 0.149 0.000 1.052 819 D CA -0.782 53.262 54.000 0.073 0.000 0.834 819 D CB 1.020 41.848 40.800 0.047 0.000 1.194 819 D HN 0.044 nan 8.370 nan 0.000 0.481 820 Y N 3.683 123.971 120.300 -0.020 0.000 2.445 820 Y HA 0.358 4.912 4.550 0.006 0.000 0.332 820 Y C -0.952 174.932 175.900 -0.026 0.000 1.037 820 Y CA -0.767 57.320 58.100 -0.022 0.000 1.296 820 Y CB 0.511 38.950 38.460 -0.034 0.000 1.099 820 Y HN 0.214 nan 8.280 nan 0.000 0.496 821 R N 4.167 124.528 120.500 -0.233 0.000 2.254 821 R HA 0.652 4.995 4.340 0.006 0.000 0.318 821 R C -1.206 174.840 176.300 -0.424 0.000 1.031 821 R CA -0.839 55.102 56.100 -0.264 0.000 0.905 821 R CB 1.701 31.931 30.300 -0.117 0.000 1.050 821 R HN 0.363 nan 8.270 nan 0.000 0.456 822 V N 5.716 125.385 119.914 -0.407 0.000 2.448 822 V HA 0.382 4.505 4.120 0.006 0.000 0.295 822 V C -0.070 175.901 176.094 -0.204 0.000 1.025 822 V CA -0.718 61.355 62.300 -0.378 0.000 0.859 822 V CB 1.720 33.278 31.823 -0.441 0.000 0.988 822 V HN 0.579 nan 8.190 nan 0.000 0.431 823 L N 3.959 125.094 121.223 -0.147 0.000 2.344 823 L HA 0.989 5.332 4.340 0.006 0.000 0.272 823 L C 0.603 177.421 176.870 -0.087 0.000 1.035 823 L CA -0.180 54.599 54.840 -0.102 0.000 0.807 823 L CB 1.931 43.951 42.059 -0.066 0.000 1.237 823 L HN 0.803 nan 8.230 nan 0.000 0.442 824 G N -0.887 107.865 108.800 -0.080 0.000 2.608 824 G HA2 0.398 4.361 3.960 0.006 0.000 0.291 824 G HA3 0.398 4.361 3.960 0.006 0.000 0.291 824 G C -0.371 174.489 174.900 -0.067 0.000 1.425 824 G CA -0.071 44.994 45.100 -0.059 0.000 0.787 824 G HN 0.492 nan 8.290 nan 0.000 0.484 825 T N -1.212 113.261 114.554 -0.135 0.000 3.284 825 T HA 0.307 4.660 4.350 0.006 0.000 0.249 825 T C -0.229 174.354 174.700 -0.195 0.000 0.944 825 T CA -0.282 61.630 62.100 -0.314 0.000 0.919 825 T CB -0.511 67.947 68.868 -0.684 0.000 1.089 825 T HN 0.296 nan 8.240 nan 0.000 0.576 826 D N 1.743 122.136 120.400 -0.011 0.000 2.506 826 D HA 0.461 5.104 4.640 0.006 0.000 0.234 826 D C 1.020 177.408 176.300 0.147 0.000 1.143 826 D CA 1.576 55.581 54.000 0.008 0.000 0.871 826 D CB 0.118 40.911 40.800 -0.012 0.000 1.190 826 D HN 0.746 nan 8.370 nan 0.000 0.459 827 G N 0.225 109.054 108.800 0.048 0.000 2.515 827 G HA2 -0.065 3.898 3.960 0.006 0.000 0.686 827 G HA3 -0.065 3.898 3.960 0.006 0.000 0.686 827 G C -0.829 174.161 174.900 0.151 0.000 1.274 827 G CA -1.193 43.984 45.100 0.128 0.000 0.874 827 G HN 0.297 nan 8.290 nan 0.000 0.631 828 F N 1.065 121.150 119.950 0.225 0.000 2.459 828 F HA 0.488 5.018 4.527 0.006 0.000 0.346 828 F C 1.699 177.698 175.800 0.333 0.000 1.128 828 F CA 1.053 59.171 58.000 0.195 0.000 1.268 828 F CB 1.024 40.093 39.000 0.116 0.000 1.161 828 F HN 0.720 nan 8.300 nan 0.000 0.583 829 G N 1.964 111.050 108.800 0.476 0.000 2.599 829 G HA2 0.604 4.567 3.960 0.006 0.000 0.264 829 G HA3 0.604 4.567 3.960 0.006 0.000 0.264 829 G C -0.873 174.196 174.900 0.282 0.000 1.200 829 G CA -0.730 44.621 45.100 0.418 0.000 0.896 829 G HN 0.763 nan 8.290 nan 0.000 0.536 830 R N -1.636 118.985 120.500 0.201 0.000 2.733 830 R HA 0.495 4.839 4.340 0.006 0.000 0.272 830 R C -1.296 175.040 176.300 0.060 0.000 1.029 830 R CA -0.823 55.323 56.100 0.076 0.000 0.888 830 R CB 0.695 30.972 30.300 -0.038 0.000 1.251 830 R HN 0.377 nan 8.270 nan 0.000 0.464 831 S N 0.594 116.308 115.700 0.025 0.000 2.513 831 S HA 0.441 4.915 4.470 0.006 0.000 0.276 831 S C -0.695 173.909 174.600 0.007 0.000 1.254 831 S CA -0.237 57.976 58.200 0.022 0.000 1.053 831 S CB 0.555 63.763 63.200 0.013 0.000 0.958 831 S HN 0.557 nan 8.310 nan 0.000 0.491 832 D N -0.103 120.310 120.400 0.023 0.000 2.893 832 D HA 0.133 4.776 4.640 0.006 0.000 0.346 832 D C -0.825 175.497 176.300 0.038 0.000 1.402 832 D CA -0.339 53.674 54.000 0.021 0.000 0.815 832 D CB 0.941 41.746 40.800 0.009 0.000 1.403 832 D HN 0.532 nan 8.370 nan 0.000 0.484 833 S N -0.305 115.420 115.700 0.040 0.000 2.614 833 S HA 0.362 4.836 4.470 0.006 0.000 0.265 833 S C 1.317 175.956 174.600 0.064 0.000 1.303 833 S CA -0.379 57.850 58.200 0.049 0.000 1.000 833 S CB 1.530 64.757 63.200 0.045 0.000 0.935 833 S HN 0.481 nan 8.310 nan 0.000 0.551 834 R N 0.601 121.141 120.500 0.068 0.000 2.081 834 R HA -0.124 4.219 4.340 0.006 0.000 0.235 834 R C 2.381 178.724 176.300 0.072 0.000 1.131 834 R CA 1.719 57.863 56.100 0.073 0.000 0.960 834 R CB -0.465 29.886 30.300 0.084 0.000 0.856 834 R HN 0.892 nan 8.270 nan 0.000 0.436 835 E N 1.019 121.264 120.200 0.075 0.000 2.038 835 E HA -0.213 4.140 4.350 0.006 0.000 0.195 835 E C 1.587 178.245 176.600 0.096 0.000 1.000 835 E CA 1.541 57.985 56.400 0.074 0.000 0.803 835 E CB -0.046 29.690 29.700 0.060 0.000 0.750 835 E HN 0.378 nan 8.360 nan 0.000 0.448 836 N N -0.184 118.569 118.700 0.088 0.000 2.166 836 N HA -0.143 4.601 4.740 0.006 0.000 0.186 836 N C 1.967 177.570 175.510 0.156 0.000 1.019 836 N CA 0.720 53.837 53.050 0.112 0.000 0.856 836 N CB 0.012 38.539 38.487 0.067 0.000 0.993 836 N HN 0.164 nan 8.380 nan 0.000 0.426 837 L N 0.524 121.835 121.223 0.147 0.000 2.093 837 L HA -0.089 4.255 4.340 0.006 0.000 0.208 837 L C 2.189 179.233 176.870 0.289 0.000 1.085 837 L CA 1.037 56.015 54.840 0.230 0.000 0.755 837 L CB -0.215 41.985 42.059 0.235 0.000 0.904 837 L HN 0.123 nan 8.230 nan 0.000 0.435 838 R N -1.518 119.085 120.500 0.171 0.000 2.189 838 R HA -0.153 4.191 4.340 0.006 0.000 0.218 838 R C 2.111 178.492 176.300 0.135 0.000 1.074 838 R CA 0.720 56.880 56.100 0.100 0.000 0.991 838 R CB -0.177 30.090 30.300 -0.055 0.000 0.883 838 R HN 0.311 nan 8.270 nan 0.000 0.457 839 H N -0.734 118.390 119.070 0.090 0.000 2.399 839 H HA -0.026 4.533 4.556 0.006 0.000 0.300 839 H C 2.005 177.352 175.328 0.031 0.000 1.048 839 H CA 1.416 57.552 56.048 0.147 0.000 1.370 839 H CB 0.032 29.899 29.762 0.176 0.000 1.428 839 H HN 0.195 nan 8.280 nan 0.000 0.534 840 H N -0.454 118.609 119.070 -0.010 0.000 2.352 840 H HA -0.148 4.412 4.556 0.006 0.000 0.299 840 H C 0.944 176.035 175.328 -0.394 0.000 1.097 840 H CA 1.583 57.500 56.048 -0.217 0.000 1.311 840 H CB -0.372 29.216 29.762 -0.290 0.000 1.377 840 H HN 0.392 nan 8.280 nan 0.000 0.504 841 F N 1.098 120.921 119.950 -0.212 0.000 2.804 841 F HA 0.061 4.592 4.527 0.006 0.000 0.303 841 F C 0.477 176.006 175.800 -0.452 0.000 1.154 841 F CA 0.326 58.150 58.000 -0.294 0.000 1.401 841 F CB 0.107 39.041 39.000 -0.110 0.000 1.106 841 F HN 0.157 nan 8.300 nan 0.000 0.568 842 E N -0.525 119.299 120.200 -0.627 0.000 2.228 842 E HA -0.224 4.129 4.350 0.006 0.000 0.213 842 E C 0.581 176.783 176.600 -0.662 0.000 1.282 842 E CA 0.109 55.680 56.400 -1.381 0.000 0.707 842 E CB -1.635 27.290 29.700 -1.291 0.000 1.150 842 E HN 0.311 nan 8.360 nan 0.000 0.362 843 V N 0.097 119.833 119.914 -0.298 0.000 3.398 843 V HA -0.006 4.118 4.120 0.006 0.000 0.298 843 V C 0.435 176.525 176.094 -0.007 0.000 1.496 843 V CA 0.628 62.870 62.300 -0.097 0.000 1.044 843 V CB 0.521 32.300 31.823 -0.074 0.000 0.880 843 V HN 0.515 nan 8.190 nan 0.000 0.443 844 D N 0.307 120.747 120.400 0.066 0.000 2.414 844 D HA 0.308 4.951 4.640 0.006 0.000 0.251 844 D C 1.538 177.912 176.300 0.123 0.000 1.252 844 D CA 0.405 54.457 54.000 0.086 0.000 0.999 844 D CB 1.035 41.925 40.800 0.150 0.000 1.093 844 D HN 0.027 nan 8.370 nan 0.000 0.515 845 A N 0.429 123.310 122.820 0.101 0.000 1.903 845 A HA -0.248 4.075 4.320 0.006 0.000 0.219 845 A C 2.183 179.680 177.584 -0.146 0.000 1.191 845 A CA 3.291 55.337 52.037 0.015 0.000 0.638 845 A CB -1.527 17.482 19.000 0.014 0.000 0.823 845 A HN 0.734 nan 8.150 nan 0.000 0.451 846 S N -1.654 113.884 115.700 -0.270 0.000 2.383 846 S HA -0.217 4.257 4.470 0.006 0.000 0.229 846 S C 1.874 176.248 174.600 -0.376 0.000 1.030 846 S CA 1.585 59.375 58.200 -0.684 0.000 1.002 846 S CB -0.817 62.007 63.200 -0.626 0.000 0.829 846 S HN 0.589 nan 8.310 nan 0.000 0.467 847 Y N 1.347 121.571 120.300 -0.126 0.000 2.314 847 Y HA 0.077 4.631 4.550 0.006 0.000 0.293 847 Y C 2.731 178.593 175.900 -0.064 0.000 1.129 847 Y CA 0.880 58.933 58.100 -0.077 0.000 1.201 847 Y CB -0.324 38.086 38.460 -0.084 0.000 0.999 847 Y HN 0.139 nan 8.280 nan 0.000 0.541 848 V N -1.231 118.729 119.914 0.076 0.000 2.358 848 V HA -0.257 3.866 4.120 0.006 0.000 0.246 848 V C 2.158 178.251 176.094 -0.001 0.000 1.047 848 V CA 1.506 63.829 62.300 0.038 0.000 1.035 848 V CB -0.738 31.108 31.823 0.040 0.000 0.658 848 V HN 0.201 nan 8.190 nan 0.000 0.452 849 V N -0.274 119.610 119.914 -0.051 0.000 2.295 849 V HA -0.235 3.888 4.120 0.006 0.000 0.246 849 V C 2.433 178.502 176.094 -0.041 0.000 1.049 849 V CA 2.055 64.325 62.300 -0.049 0.000 1.024 849 V CB -0.429 31.356 31.823 -0.062 0.000 0.648 849 V HN 0.406 nan 8.190 nan 0.000 0.447 850 V N 0.171 120.078 119.914 -0.013 0.000 2.407 850 V HA -0.251 3.873 4.120 0.006 0.000 0.248 850 V C 2.645 178.730 176.094 -0.015 0.000 1.055 850 V CA 1.936 64.232 62.300 -0.005 0.000 1.049 850 V CB -1.051 30.766 31.823 -0.010 0.000 0.662 850 V HN 0.569 nan 8.190 nan 0.000 0.455 851 A N -0.088 122.734 122.820 0.003 0.000 1.898 851 A HA -0.071 4.252 4.320 0.006 0.000 0.216 851 A C 2.422 180.000 177.584 -0.011 0.000 1.181 851 A CA 1.965 54.004 52.037 0.003 0.000 0.620 851 A CB -0.706 18.300 19.000 0.011 0.000 0.819 851 A HN 0.550 nan 8.150 nan 0.000 0.442 852 A N -0.173 122.638 122.820 -0.014 0.000 1.873 852 A HA -0.004 4.319 4.320 0.006 0.000 0.215 852 A C 2.158 179.720 177.584 -0.036 0.000 1.186 852 A CA 1.425 53.454 52.037 -0.013 0.000 0.616 852 A CB -0.618 18.379 19.000 -0.005 0.000 0.823 852 A HN 0.461 nan 8.150 nan 0.000 0.442 853 L N -0.646 120.529 121.223 -0.081 0.000 2.083 853 L HA -0.128 4.215 4.340 0.006 0.000 0.209 853 L C 2.822 179.656 176.870 -0.060 0.000 1.083 853 L CA 1.066 55.839 54.840 -0.111 0.000 0.752 853 L CB -0.921 41.008 42.059 -0.217 0.000 0.899 853 L HN 0.499 nan 8.230 nan 0.000 0.433 854 G N -0.239 108.535 108.800 -0.043 0.000 2.442 854 G HA2 -0.242 3.722 3.960 0.006 0.000 0.219 854 G HA3 -0.242 3.722 3.960 0.006 0.000 0.219 854 G C 1.425 176.316 174.900 -0.015 0.000 1.141 854 G CA 0.613 45.698 45.100 -0.025 0.000 0.763 854 G HN 0.423 nan 8.290 nan 0.000 0.554 855 E N -0.003 120.191 120.200 -0.010 0.000 2.077 855 E HA -0.035 4.319 4.350 0.006 0.000 0.193 855 E C 2.591 179.192 176.600 0.002 0.000 0.989 855 E CA 0.556 56.956 56.400 0.001 0.000 0.800 855 E CB -0.188 29.518 29.700 0.010 0.000 0.746 855 E HN 0.388 nan 8.360 nan 0.000 0.452 856 L N 0.586 121.808 121.223 -0.002 0.000 2.046 856 L HA -0.167 4.177 4.340 0.006 0.000 0.208 856 L C 2.637 179.508 176.870 0.002 0.000 1.077 856 L CA 0.955 55.797 54.840 0.003 0.000 0.747 856 L CB -0.538 41.522 42.059 0.001 0.000 0.896 856 L HN 0.150 nan 8.230 nan 0.000 0.432 857 A N 0.057 122.873 122.820 -0.006 0.000 1.908 857 A HA -0.217 4.106 4.320 0.006 0.000 0.218 857 A C 2.309 179.893 177.584 0.000 0.000 1.181 857 A CA 1.584 53.619 52.037 -0.003 0.000 0.627 857 A CB -0.378 18.616 19.000 -0.009 0.000 0.818 857 A HN 0.295 nan 8.150 nan 0.000 0.445 858 K N -0.413 119.986 120.400 -0.001 0.000 2.211 858 K HA -0.136 4.187 4.320 0.006 0.000 0.204 858 K C 1.497 178.100 176.600 0.004 0.000 1.047 858 K CA 1.241 57.529 56.287 0.001 0.000 0.935 858 K CB -0.137 32.364 32.500 0.001 0.000 0.728 858 K HN 0.560 nan 8.250 nan 0.000 0.452 859 R N -0.267 120.237 120.500 0.006 0.000 2.334 859 R HA 0.114 4.458 4.340 0.006 0.000 0.220 859 R C 1.129 177.434 176.300 0.009 0.000 0.917 859 R CA 0.716 56.822 56.100 0.009 0.000 1.073 859 R CB 0.138 30.445 30.300 0.012 0.000 1.056 859 R HN 0.260 nan 8.270 nan 0.000 0.506 860 G N 1.975 110.780 108.800 0.008 0.000 2.189 860 G HA2 -0.348 3.615 3.960 0.006 0.000 0.267 860 G HA3 -0.348 3.615 3.960 0.006 0.000 0.267 860 G C 0.695 175.602 174.900 0.012 0.000 0.975 860 G CA 0.603 45.708 45.100 0.009 0.000 0.644 860 G HN 0.503 nan 8.290 nan 0.000 0.537 861 E N -0.084 120.124 120.200 0.013 0.000 2.515 861 E HA 0.200 4.554 4.350 0.006 0.000 0.201 861 E C 1.262 177.875 176.600 0.021 0.000 1.071 861 E CA 1.143 57.553 56.400 0.018 0.000 0.880 861 E CB -0.098 29.613 29.700 0.019 0.000 0.828 861 E HN 0.933 nan 8.360 nan 0.000 0.540 862 I N -3.388 117.193 120.570 0.017 0.000 2.882 862 I HA 0.312 4.486 4.170 0.006 0.000 0.298 862 I C -1.284 174.842 176.117 0.015 0.000 1.462 862 I CA -1.333 59.980 61.300 0.022 0.000 1.000 862 I CB 2.048 40.061 38.000 0.022 0.000 1.340 862 I HN -0.370 nan 8.210 nan 0.000 0.462 863 D N 2.869 123.280 120.400 0.020 0.000 2.382 863 D HA 0.215 4.859 4.640 0.006 0.000 0.245 863 D C 0.773 177.078 176.300 0.008 0.000 1.120 863 D CA -0.030 53.978 54.000 0.014 0.000 0.890 863 D CB 1.730 42.540 40.800 0.017 0.000 1.201 863 D HN 0.609 nan 8.370 nan 0.000 0.433 864 K N 2.136 122.538 120.400 0.003 0.000 2.211 864 K HA -0.144 4.179 4.320 0.006 0.000 0.204 864 K C 1.665 178.263 176.600 -0.002 0.000 1.047 864 K CA 0.919 57.204 56.287 -0.002 0.000 0.935 864 K CB 0.174 32.672 32.500 -0.002 0.000 0.728 864 K HN 0.356 nan 8.250 nan 0.000 0.452 865 K N 0.689 121.091 120.400 0.003 0.000 2.147 865 K HA -0.106 4.217 4.320 0.006 0.000 0.205 865 K C 1.947 178.551 176.600 0.008 0.000 1.049 865 K CA 0.988 57.277 56.287 0.003 0.000 0.936 865 K CB 0.003 32.506 32.500 0.006 0.000 0.722 865 K HN -0.044 nan 8.250 nan 0.000 0.446 866 V N 0.653 120.578 119.914 0.019 0.000 2.343 866 V HA -0.231 3.893 4.120 0.006 0.000 0.247 866 V C 2.187 178.284 176.094 0.005 0.000 1.051 866 V CA 1.539 63.866 62.300 0.045 0.000 1.036 866 V CB -0.328 31.536 31.823 0.068 0.000 0.654 866 V HN 0.081 nan 8.190 nan 0.000 0.451 867 V N 0.522 120.420 119.914 -0.027 0.000 2.307 867 V HA -0.215 3.909 4.120 0.006 0.000 0.245 867 V C 2.740 178.815 176.094 -0.032 0.000 1.045 867 V CA 1.884 64.156 62.300 -0.047 0.000 1.024 867 V CB -1.361 30.439 31.823 -0.038 0.000 0.651 867 V HN 0.530 nan 8.190 nan 0.000 0.449 868 A N 0.273 123.080 122.820 -0.021 0.000 1.908 868 A HA -0.257 4.067 4.320 0.006 0.000 0.218 868 A C 1.969 179.533 177.584 -0.032 0.000 1.181 868 A CA 2.105 54.130 52.037 -0.020 0.000 0.627 868 A CB -0.620 18.372 19.000 -0.013 0.000 0.818 868 A HN 0.562 nan 8.150 nan 0.000 0.445 869 D N -0.038 120.343 120.400 -0.031 0.000 2.183 869 D HA 0.039 4.683 4.640 0.006 0.000 0.203 869 D C 2.163 178.396 176.300 -0.111 0.000 0.969 869 D CA 1.244 55.214 54.000 -0.051 0.000 0.842 869 D CB -0.373 40.413 40.800 -0.025 0.000 0.957 869 D HN 0.445 nan 8.370 nan 0.000 0.484 870 A N 1.015 123.772 122.820 -0.106 0.000 1.873 870 A HA -0.112 4.211 4.320 0.006 0.000 0.215 870 A C 2.339 179.787 177.584 -0.227 0.000 1.186 870 A CA 0.731 52.621 52.037 -0.245 0.000 0.616 870 A CB -0.742 18.216 19.000 -0.070 0.000 0.823 870 A HN 0.150 nan 8.150 nan 0.000 0.442 871 I N -0.142 120.393 120.570 -0.058 0.000 2.248 871 I HA -0.338 3.836 4.170 0.006 0.000 0.248 871 I C 2.916 179.012 176.117 -0.034 0.000 1.107 871 I CA 1.146 62.435 61.300 -0.018 0.000 1.373 871 I CB -0.239 37.747 38.000 -0.023 0.000 1.055 871 I HN 0.389 nan 8.210 nan 0.000 0.418 872 A N 0.544 123.321 122.820 -0.071 0.000 1.872 872 A HA -0.237 4.087 4.320 0.006 0.000 0.214 872 A C 2.370 179.899 177.584 -0.092 0.000 1.187 872 A CA 1.778 53.780 52.037 -0.059 0.000 0.614 872 A CB -0.518 18.448 19.000 -0.057 0.000 0.826 872 A HN 0.336 nan 8.150 nan 0.000 0.442 873 K N -0.868 119.404 120.400 -0.214 0.000 2.032 873 K HA -0.130 4.193 4.320 0.006 0.000 0.209 873 K C 1.226 177.709 176.600 -0.195 0.000 1.048 873 K CA 1.849 57.961 56.287 -0.292 0.000 0.927 873 K CB -0.366 31.814 32.500 -0.533 0.000 0.712 873 K HN 0.499 nan 8.250 nan 0.000 0.441 874 F N 0.871 120.830 119.950 0.016 0.000 2.804 874 F HA 0.134 4.665 4.527 0.006 0.000 0.303 874 F C -0.087 175.736 175.800 0.039 0.000 1.154 874 F CA -0.175 57.836 58.000 0.018 0.000 1.401 874 F CB -0.352 38.644 39.000 -0.005 0.000 1.106 874 F HN 0.143 nan 8.300 nan 0.000 0.568 875 N N 1.295 120.092 118.700 0.161 0.000 2.714 875 N HA -0.212 4.531 4.740 0.006 0.000 0.253 875 N C -0.688 174.966 175.510 0.239 0.000 1.024 875 N CA -0.009 53.127 53.050 0.145 0.000 0.726 875 N CB -1.116 37.435 38.487 0.106 0.000 0.908 875 N HN 0.285 nan 8.380 nan 0.000 0.542 876 I N 0.237 120.889 120.570 0.136 0.000 2.331 876 I HA 0.097 4.271 4.170 0.006 0.000 0.292 876 I C 0.283 176.429 176.117 0.049 0.000 0.998 876 I CA -0.438 60.879 61.300 0.029 0.000 1.267 876 I CB 0.964 38.827 38.000 -0.228 0.000 1.386 876 I HN 0.088 nan 8.210 nan 0.000 0.476 877 D N 6.042 126.492 120.400 0.083 0.000 2.422 877 D HA 0.255 4.899 4.640 0.006 0.000 0.227 877 D C 0.910 177.241 176.300 0.053 0.000 1.190 877 D CA -0.130 53.909 54.000 0.066 0.000 0.905 877 D CB 1.454 42.298 40.800 0.074 0.000 1.034 877 D HN 0.624 nan 8.370 nan 0.000 0.507 878 A N 3.709 126.551 122.820 0.036 0.000 2.125 878 A HA -0.122 4.202 4.320 0.006 0.000 0.219 878 A C 1.271 178.869 177.584 0.023 0.000 1.156 878 A CA 1.016 53.072 52.037 0.031 0.000 0.671 878 A CB 0.135 19.146 19.000 0.018 0.000 0.794 878 A HN 0.528 nan 8.150 nan 0.000 0.459 879 D N -0.945 119.466 120.400 0.020 0.000 2.440 879 D HA 0.099 4.742 4.640 0.006 0.000 0.216 879 D C 0.267 176.572 176.300 0.008 0.000 1.150 879 D CA -0.095 53.912 54.000 0.011 0.000 0.832 879 D CB 0.185 40.991 40.800 0.011 0.000 0.992 879 D HN 0.406 nan 8.370 nan 0.000 0.502 880 K N 1.380 121.786 120.400 0.009 0.000 2.469 880 K HA 0.053 4.376 4.320 0.006 0.000 0.274 880 K C 0.122 176.708 176.600 -0.023 0.000 0.983 880 K CA -0.148 56.138 56.287 -0.002 0.000 0.974 880 K CB 1.170 33.663 32.500 -0.012 0.000 0.913 880 K HN -0.175 nan 8.250 nan 0.000 0.493 881 V N 4.041 123.942 119.914 -0.022 0.000 2.843 881 V HA -0.031 4.092 4.120 0.006 0.000 0.305 881 V C 0.184 176.238 176.094 -0.067 0.000 1.065 881 V CA -0.414 61.870 62.300 -0.027 0.000 1.116 881 V CB 0.986 32.806 31.823 -0.005 0.000 0.968 881 V HN 0.899 nan 8.190 nan 0.000 0.487 882 N N 6.577 125.243 118.700 -0.057 0.000 2.411 882 N HA 0.073 4.817 4.740 0.006 0.000 0.261 882 N C -1.727 173.723 175.510 -0.100 0.000 1.248 882 N CA -0.943 52.059 53.050 -0.081 0.000 0.885 882 N CB 1.416 39.874 38.487 -0.048 0.000 1.062 882 N HN 0.444 nan 8.380 nan 0.000 0.471 883 P HA -0.173 nan 4.420 nan 0.000 0.217 883 P C 1.211 178.507 177.300 -0.008 0.000 1.148 883 P CA 1.200 64.159 63.100 -0.234 0.000 0.828 883 P CB 0.133 31.600 31.700 -0.389 0.000 0.783 884 R N -0.091 120.410 120.500 0.002 0.000 2.152 884 R HA -0.066 4.277 4.340 0.006 0.000 0.232 884 R C 1.707 178.030 176.300 0.039 0.000 1.117 884 R CA 1.127 57.239 56.100 0.019 0.000 0.981 884 R CB -0.539 29.751 30.300 -0.017 0.000 0.870 884 R HN 0.227 nan 8.270 nan 0.000 0.451 885 L N 0.000 121.245 121.223 0.036 0.000 2.554 885 L HA 0.289 4.632 4.340 0.006 0.000 0.225 885 L C 1.161 178.081 176.870 0.084 0.000 1.104 885 L CA -0.246 54.629 54.840 0.057 0.000 0.866 885 L CB 0.047 42.122 42.059 0.027 0.000 1.047 885 L HN 0.111 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.873 122.820 0.088 0.000 2.254 886 A HA 0.000 4.323 4.320 0.006 0.000 0.244 886 A CA 0.000 52.100 52.037 0.106 0.000 0.836 886 A CB 0.000 19.093 19.000 0.155 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486