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 1rp7_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 0.000 176.131 176.117 0.023 0.000 1.063 56 I CA 0.000 61.311 61.300 0.019 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 0.857 116.570 115.700 0.023 0.000 2.759 57 S HA 0.641 5.114 4.470 0.005 0.000 0.310 57 S C -0.325 174.309 174.600 0.057 0.000 1.123 57 S CA -0.864 57.352 58.200 0.027 0.000 0.959 57 S CB 1.028 64.231 63.200 0.006 0.000 1.172 57 S HN 0.785 nan 8.310 nan 0.000 0.539 58 N N 0.505 119.245 118.700 0.066 0.000 2.345 58 N HA 0.006 4.749 4.740 0.005 0.000 0.243 58 N C -0.687 174.911 175.510 0.146 0.000 1.246 58 N CA 0.272 53.390 53.050 0.114 0.000 0.863 58 N CB -0.311 38.237 38.487 0.101 0.000 1.096 58 N HN 0.706 nan 8.380 nan 0.000 0.446 59 Y N 2.348 122.689 120.300 0.068 0.000 3.103 59 Y HA 0.160 4.713 4.550 0.006 0.000 0.389 59 Y C 0.436 176.434 175.900 0.162 0.000 1.082 59 Y CA -0.116 58.023 58.100 0.065 0.000 1.987 59 Y CB -0.774 37.772 38.460 0.143 0.000 2.096 59 Y HN 0.338 nan 8.280 nan 0.000 0.423 60 I N -3.036 117.566 120.570 0.054 0.000 3.264 60 I HA 0.516 4.689 4.170 0.005 0.000 0.315 60 I C -0.580 175.491 176.117 -0.077 0.000 1.154 60 I CA -1.657 59.712 61.300 0.114 0.000 0.962 60 I CB 1.338 39.462 38.000 0.207 0.000 1.265 60 I HN -0.233 nan 8.210 nan 0.000 0.463 61 N N 1.794 120.478 118.700 -0.026 0.000 2.458 61 N HA 0.088 4.831 4.740 0.005 0.000 0.258 61 N C 0.808 176.288 175.510 -0.050 0.000 1.219 61 N CA 0.106 53.109 53.050 -0.079 0.000 0.902 61 N CB 0.938 39.422 38.487 -0.004 0.000 1.076 61 N HN 0.673 nan 8.380 nan 0.000 0.455 62 T N 1.523 116.025 114.554 -0.087 0.000 2.777 62 T HA 0.021 4.374 4.350 0.005 0.000 0.266 62 T C 0.986 175.668 174.700 -0.030 0.000 1.040 62 T CA 0.880 62.941 62.100 -0.064 0.000 1.141 62 T CB -0.015 68.797 68.868 -0.093 0.000 0.868 62 T HN 0.418 nan 8.240 nan 0.000 0.444 63 I N 3.593 124.149 120.570 -0.024 0.000 2.304 63 I HA 0.271 4.444 4.170 0.005 0.000 0.291 63 I C -2.135 174.003 176.117 0.036 0.000 1.018 63 I CA -2.555 58.748 61.300 0.005 0.000 1.260 63 I CB 1.390 39.393 38.000 0.005 0.000 1.390 63 I HN 0.011 nan 8.210 nan 0.000 0.475 64 P HA 0.073 nan 4.420 nan 0.000 0.274 64 P C 1.002 178.346 177.300 0.073 0.000 1.237 64 P CA -0.356 62.782 63.100 0.064 0.000 0.793 64 P CB 1.242 32.976 31.700 0.056 0.000 0.977 65 V N 0.700 120.667 119.914 0.087 0.000 2.392 65 V HA -0.236 3.887 4.120 0.005 0.000 0.249 65 V C 2.196 178.336 176.094 0.077 0.000 1.059 65 V CA 2.071 64.426 62.300 0.091 0.000 1.051 65 V CB -1.742 30.140 31.823 0.098 0.000 0.658 65 V HN 0.603 nan 8.190 nan 0.000 0.455 66 E N 1.129 121.369 120.200 0.067 0.000 2.409 66 E HA -0.220 4.133 4.350 0.005 0.000 0.198 66 E C 1.770 178.403 176.600 0.054 0.000 1.024 66 E CA 1.362 57.796 56.400 0.057 0.000 0.861 66 E CB -0.151 29.579 29.700 0.050 0.000 0.788 66 E HN 0.814 nan 8.360 nan 0.000 0.521 67 E N 0.976 121.210 120.200 0.057 0.000 2.526 67 E HA -0.019 4.334 4.350 0.005 0.000 0.208 67 E C 0.257 176.896 176.600 0.064 0.000 0.997 67 E CA -0.211 56.220 56.400 0.052 0.000 0.961 67 E CB 0.511 30.235 29.700 0.040 0.000 1.030 67 E HN 0.300 nan 8.360 nan 0.000 0.483 68 Q N 2.281 122.129 119.800 0.081 0.000 2.261 68 Q HA 0.330 4.673 4.340 0.005 0.000 0.252 68 Q C -2.306 173.771 176.000 0.128 0.000 0.915 68 Q CA -1.982 53.886 55.803 0.109 0.000 0.915 68 Q CB 1.172 29.982 28.738 0.119 0.000 1.204 68 Q HN -0.120 nan 8.270 nan 0.000 0.421 69 P HA 0.064 nan 4.420 nan 0.000 0.276 69 P C -0.801 176.597 177.300 0.163 0.000 1.252 69 P CA -0.307 62.898 63.100 0.176 0.000 0.802 69 P CB 0.745 32.590 31.700 0.243 0.000 1.035 70 E N 0.940 121.196 120.200 0.092 0.000 2.366 70 E HA -0.022 4.331 4.350 0.005 0.000 0.266 70 E C -0.802 175.760 176.600 -0.064 0.000 1.015 70 E CA -0.333 56.092 56.400 0.042 0.000 0.906 70 E CB 0.109 29.822 29.700 0.021 0.000 0.979 70 E HN 0.345 nan 8.360 nan 0.000 0.443 71 Y N 7.329 127.498 120.300 -0.218 0.000 2.544 71 Y HA 0.027 4.581 4.550 0.006 0.000 0.330 71 Y C -1.413 174.236 175.900 -0.419 0.000 1.136 71 Y CA -1.290 56.519 58.100 -0.484 0.000 1.417 71 Y CB 0.889 39.170 38.460 -0.298 0.000 1.229 71 Y HN 0.492 nan 8.280 nan 0.000 0.532 72 P HA 0.094 nan 4.420 nan 0.000 0.231 72 P C 0.343 177.466 177.300 -0.295 0.000 1.168 72 P CA 0.675 63.449 63.100 -0.542 0.000 0.779 72 P CB 0.428 31.797 31.700 -0.551 0.000 0.844 73 G N 0.392 108.937 108.800 -0.425 0.000 2.511 73 G HA2 0.189 4.152 3.960 0.005 0.000 0.316 73 G HA3 0.189 4.152 3.960 0.005 0.000 0.316 73 G C -0.582 174.536 174.900 0.363 0.000 1.210 73 G CA -0.446 44.813 45.100 0.264 0.000 0.969 73 G HN -0.013 nan 8.290 nan 0.000 0.492 74 N N 0.767 119.643 118.700 0.293 0.000 2.508 74 N HA 0.080 4.823 4.740 0.005 0.000 0.253 74 N C 1.646 177.143 175.510 -0.023 0.000 1.145 74 N CA -0.222 52.849 53.050 0.034 0.000 0.973 74 N CB 0.510 38.883 38.487 -0.189 0.000 1.305 74 N HN 0.394 nan 8.380 nan 0.000 0.506 75 L N 2.298 123.552 121.223 0.052 0.000 2.081 75 L HA -0.231 4.113 4.340 0.005 0.000 0.212 75 L C 1.699 178.534 176.870 -0.058 0.000 1.080 75 L CA 1.370 56.190 54.840 -0.032 0.000 0.754 75 L CB -0.071 41.913 42.059 -0.126 0.000 0.893 75 L HN 0.415 nan 8.230 nan 0.000 0.433 76 E N 0.074 120.234 120.200 -0.067 0.000 2.031 76 E HA -0.213 4.141 4.350 0.005 0.000 0.193 76 E C 2.210 178.746 176.600 -0.107 0.000 0.994 76 E CA 1.077 57.438 56.400 -0.066 0.000 0.800 76 E CB -0.436 29.230 29.700 -0.057 0.000 0.752 76 E HN 0.325 nan 8.360 nan 0.000 0.447 77 L N 0.768 121.870 121.223 -0.202 0.000 2.046 77 L HA -0.219 4.124 4.340 0.005 0.000 0.208 77 L C 2.220 178.908 176.870 -0.304 0.000 1.077 77 L CA 1.473 56.127 54.840 -0.311 0.000 0.747 77 L CB -0.209 41.527 42.059 -0.537 0.000 0.896 77 L HN 0.233 nan 8.230 nan 0.000 0.432 78 E N -0.772 119.257 120.200 -0.285 0.000 2.118 78 E HA -0.256 4.097 4.350 0.005 0.000 0.195 78 E C 2.262 178.867 176.600 0.009 0.000 0.992 78 E CA 0.670 57.015 56.400 -0.093 0.000 0.804 78 E CB -0.045 29.695 29.700 0.067 0.000 0.741 78 E HN 0.261 nan 8.360 nan 0.000 0.458 79 R N 1.112 121.618 120.500 0.009 0.000 2.096 79 R HA -0.085 4.258 4.340 0.005 0.000 0.235 79 R C 2.127 178.483 176.300 0.094 0.000 1.127 79 R CA 1.187 57.330 56.100 0.071 0.000 0.968 79 R CB -0.142 30.197 30.300 0.066 0.000 0.861 79 R HN 0.116 nan 8.270 nan 0.000 0.440 80 R N -0.105 120.422 120.500 0.046 0.000 2.070 80 R HA -0.074 4.269 4.340 0.005 0.000 0.233 80 R C 2.444 178.854 176.300 0.184 0.000 1.137 80 R CA 1.771 57.927 56.100 0.093 0.000 0.945 80 R CB -0.351 29.947 30.300 -0.003 0.000 0.845 80 R HN 0.211 nan 8.270 nan 0.000 0.430 81 I N -0.039 120.567 120.570 0.059 0.000 2.179 81 I HA -0.302 3.872 4.170 0.005 0.000 0.242 81 I C 2.717 178.979 176.117 0.242 0.000 1.088 81 I CA 1.259 62.660 61.300 0.168 0.000 1.357 81 I CB -0.319 37.694 38.000 0.022 0.000 1.051 81 I HN 0.164 nan 8.210 nan 0.000 0.409 82 R N 0.809 121.413 120.500 0.173 0.000 2.083 82 R HA -0.175 4.169 4.340 0.005 0.000 0.237 82 R C 2.428 178.827 176.300 0.165 0.000 1.137 82 R CA 2.012 58.215 56.100 0.172 0.000 0.951 82 R CB -0.171 30.216 30.300 0.146 0.000 0.851 82 R HN 0.194 nan 8.270 nan 0.000 0.434 83 S N 0.025 115.829 115.700 0.174 0.000 2.399 83 S HA -0.125 4.348 4.470 0.005 0.000 0.231 83 S C 1.840 176.569 174.600 0.216 0.000 1.022 83 S CA 1.117 59.416 58.200 0.165 0.000 0.983 83 S CB -0.113 63.222 63.200 0.225 0.000 0.803 83 S HN 0.583 nan 8.310 nan 0.000 0.480 84 A N 1.078 124.060 122.820 0.270 0.000 1.929 84 A HA 0.056 4.379 4.320 0.005 0.000 0.216 84 A C 2.006 179.765 177.584 0.291 0.000 1.176 84 A CA 0.893 53.088 52.037 0.264 0.000 0.628 84 A CB -0.517 18.642 19.000 0.264 0.000 0.816 84 A HN 0.493 nan 8.150 nan 0.000 0.444 85 I N -0.933 119.797 120.570 0.267 0.000 2.286 85 I HA -0.222 3.952 4.170 0.005 0.000 0.245 85 I C 2.724 178.998 176.117 0.261 0.000 1.104 85 I CA 0.980 62.423 61.300 0.238 0.000 1.397 85 I CB -0.316 37.819 38.000 0.227 0.000 1.072 85 I HN 0.271 nan 8.210 nan 0.000 0.417 86 R N 0.096 120.747 120.500 0.252 0.000 2.083 86 R HA -0.240 4.103 4.340 0.005 0.000 0.237 86 R C 2.252 178.675 176.300 0.205 0.000 1.137 86 R CA 2.061 58.280 56.100 0.199 0.000 0.951 86 R CB -0.620 29.614 30.300 -0.110 0.000 0.851 86 R HN 0.561 nan 8.270 nan 0.000 0.434 87 W N 2.220 123.550 121.300 0.050 0.000 2.333 87 W HA -0.218 4.445 4.660 0.005 0.000 0.316 87 W C 1.286 177.846 176.519 0.069 0.000 1.215 87 W CA 1.450 58.831 57.345 0.061 0.000 1.278 87 W CB -0.349 29.150 29.460 0.066 0.000 1.154 87 W HN 0.115 nan 8.180 nan 0.000 0.486 88 N N 0.848 119.672 118.700 0.207 0.000 2.223 88 N HA -0.154 4.589 4.740 0.005 0.000 0.185 88 N C 1.826 177.307 175.510 -0.048 0.000 1.016 88 N CA 2.077 55.193 53.050 0.109 0.000 0.863 88 N CB -1.012 37.576 38.487 0.168 0.000 0.983 88 N HN 0.215 nan 8.380 nan 0.000 0.429 89 A N 0.842 123.633 122.820 -0.048 0.000 1.902 89 A HA -0.047 4.276 4.320 0.005 0.000 0.217 89 A C 2.329 179.818 177.584 -0.158 0.000 1.181 89 A CA 0.929 52.884 52.037 -0.138 0.000 0.623 89 A CB -0.611 18.328 19.000 -0.101 0.000 0.818 89 A HN 0.207 nan 8.150 nan 0.000 0.443 90 I N -0.636 119.852 120.570 -0.135 0.000 2.315 90 I HA -0.229 3.945 4.170 0.005 0.000 0.248 90 I C 2.504 178.449 176.117 -0.286 0.000 1.117 90 I CA 0.863 62.056 61.300 -0.178 0.000 1.404 90 I CB -0.168 37.731 38.000 -0.168 0.000 1.071 90 I HN 0.248 nan 8.210 nan 0.000 0.419 91 M N -0.185 119.170 119.600 -0.409 0.000 2.117 91 M HA -0.163 4.320 4.480 0.005 0.000 0.262 91 M C 2.402 178.569 176.300 -0.220 0.000 1.065 91 M CA 1.841 56.883 55.300 -0.430 0.000 1.114 91 M CB -1.622 30.645 32.600 -0.555 0.000 1.361 91 M HN 0.219 nan 8.290 nan 0.000 0.408 92 T N 0.990 115.471 114.554 -0.121 0.000 2.622 92 T HA -0.101 4.252 4.350 0.005 0.000 0.266 92 T C 2.082 176.643 174.700 -0.232 0.000 1.047 92 T CA 1.681 63.680 62.100 -0.168 0.000 1.159 92 T CB -0.465 68.161 68.868 -0.403 0.000 0.863 92 T HN 0.158 nan 8.240 nan 0.000 0.422 93 V N 1.608 121.352 119.914 -0.284 0.000 2.295 93 V HA -0.110 4.014 4.120 0.005 0.000 0.246 93 V C 2.564 178.651 176.094 -0.012 0.000 1.049 93 V CA 1.440 63.681 62.300 -0.099 0.000 1.024 93 V CB -0.793 31.000 31.823 -0.050 0.000 0.648 93 V HN 0.422 nan 8.190 nan 0.000 0.447 94 L N -0.581 120.597 121.223 -0.076 0.000 2.042 94 L HA -0.197 4.146 4.340 0.005 0.000 0.210 94 L C 2.845 179.680 176.870 -0.057 0.000 1.076 94 L CA 1.688 56.486 54.840 -0.071 0.000 0.749 94 L CB -0.630 41.350 42.059 -0.131 0.000 0.893 94 L HN 0.264 nan 8.230 nan 0.000 0.432 95 R N -0.215 120.239 120.500 -0.077 0.000 2.096 95 R HA -0.130 4.213 4.340 0.005 0.000 0.235 95 R C 2.371 178.675 176.300 0.007 0.000 1.127 95 R CA 1.322 57.389 56.100 -0.055 0.000 0.968 95 R CB -0.380 29.876 30.300 -0.073 0.000 0.861 95 R HN 0.360 nan 8.270 nan 0.000 0.440 96 A N 0.124 122.984 122.820 0.065 0.000 1.930 96 A HA -0.118 4.205 4.320 0.005 0.000 0.217 96 A C 2.223 179.841 177.584 0.057 0.000 1.175 96 A CA 1.422 53.523 52.037 0.106 0.000 0.627 96 A CB -0.403 18.752 19.000 0.258 0.000 0.815 96 A HN 0.216 nan 8.150 nan 0.000 0.443 97 S N -0.565 115.162 115.700 0.046 0.000 2.359 97 S HA -0.178 4.295 4.470 0.005 0.000 0.224 97 S C 2.048 176.653 174.600 0.007 0.000 1.035 97 S CA 1.715 59.928 58.200 0.023 0.000 1.018 97 S CB -0.281 62.928 63.200 0.014 0.000 0.876 97 S HN 0.591 nan 8.310 nan 0.000 0.448 98 K N 0.659 121.058 120.400 -0.003 0.000 2.173 98 K HA -0.156 4.168 4.320 0.005 0.000 0.207 98 K C 1.936 178.533 176.600 -0.005 0.000 1.046 98 K CA 1.329 57.610 56.287 -0.009 0.000 0.929 98 K CB -0.109 32.378 32.500 -0.021 0.000 0.720 98 K HN 0.362 nan 8.250 nan 0.000 0.453 99 K N 0.266 120.666 120.400 0.001 0.000 2.280 99 K HA -0.148 4.176 4.320 0.005 0.000 0.202 99 K C 0.365 176.965 176.600 -0.001 0.000 1.047 99 K CA 0.954 57.242 56.287 0.001 0.000 0.942 99 K CB -0.136 32.367 32.500 0.005 0.000 0.739 99 K HN 0.104 nan 8.250 nan 0.000 0.457 100 D N 0.100 120.500 120.400 0.000 0.000 2.699 100 D HA -0.159 4.484 4.640 0.005 0.000 0.239 100 D C -0.472 175.826 176.300 -0.003 0.000 1.136 100 D CA 0.483 54.482 54.000 -0.001 0.000 0.668 100 D CB -1.105 39.694 40.800 -0.002 0.000 1.060 100 D HN 0.221 nan 8.370 nan 0.000 0.429 101 L N 0.288 121.508 121.223 -0.005 0.000 3.014 101 L HA 0.204 4.547 4.340 0.005 0.000 0.263 101 L C 0.671 177.532 176.870 -0.015 0.000 1.207 101 L CA -0.430 54.404 54.840 -0.010 0.000 1.017 101 L CB 0.340 42.392 42.059 -0.011 0.000 1.360 101 L HN -0.059 nan 8.230 nan 0.000 0.560 102 E N 0.122 120.315 120.200 -0.012 0.000 2.440 102 E HA -0.239 4.114 4.350 0.005 0.000 0.246 102 E C 1.023 177.607 176.600 -0.027 0.000 1.165 102 E CA 0.545 56.936 56.400 -0.015 0.000 0.726 102 E CB -1.841 27.851 29.700 -0.013 0.000 1.271 102 E HN 0.523 nan 8.360 nan 0.000 0.397 103 L N -1.057 120.145 121.223 -0.034 0.000 2.093 103 L HA -0.025 4.319 4.340 0.005 0.000 0.208 103 L C 1.641 178.464 176.870 -0.079 0.000 1.085 103 L CA 1.197 55.994 54.840 -0.072 0.000 0.755 103 L CB -0.416 41.593 42.059 -0.083 0.000 0.904 103 L HN 0.515 nan 8.230 nan 0.000 0.435 104 G N -0.820 107.962 108.800 -0.030 0.000 2.615 104 G HA2 0.222 4.185 3.960 0.005 0.000 0.218 104 G HA3 0.222 4.185 3.960 0.005 0.000 0.218 104 G C -0.021 174.908 174.900 0.049 0.000 1.339 104 G CA -0.415 44.670 45.100 -0.026 0.000 0.884 104 G HN 0.925 nan 8.290 nan 0.000 0.559 105 G N -1.812 107.005 108.800 0.029 0.000 2.465 105 G HA2 0.538 4.501 3.960 0.005 0.000 0.681 105 G HA3 0.538 4.501 3.960 0.005 0.000 0.681 105 G C -0.875 174.074 174.900 0.080 0.000 1.340 105 G CA 0.296 45.549 45.100 0.255 0.000 0.884 105 G HN 1.582 nan 8.290 nan 0.000 0.650 106 H N 0.340 119.576 119.070 0.277 0.000 2.670 106 H HA 0.726 5.285 4.556 0.005 0.000 0.361 106 H C 0.768 176.219 175.328 0.204 0.000 1.169 106 H CA -0.825 55.371 56.048 0.245 0.000 1.198 106 H CB 2.117 32.078 29.762 0.331 0.000 1.700 106 H HN 0.458 nan 8.280 nan 0.000 0.542 107 M N -0.067 119.725 119.600 0.320 0.000 2.227 107 M HA 0.156 4.639 4.480 0.005 0.000 0.226 107 M C 2.217 178.683 176.300 0.277 0.000 1.423 107 M CA 0.626 56.078 55.300 0.253 0.000 1.055 107 M CB 0.401 33.100 32.600 0.166 0.000 1.572 107 M HN 0.660 nan 8.290 nan 0.000 0.567 108 A N 0.086 123.064 122.820 0.263 0.000 1.892 108 A HA -0.197 4.127 4.320 0.005 0.000 0.218 108 A C 2.155 179.896 177.584 0.261 0.000 1.188 108 A CA 2.560 54.746 52.037 0.247 0.000 0.631 108 A CB -1.022 18.112 19.000 0.222 0.000 0.822 108 A HN 0.452 nan 8.150 nan 0.000 0.447 109 S N -1.530 114.350 115.700 0.299 0.000 2.351 109 S HA -0.183 4.290 4.470 0.005 0.000 0.220 109 S C 1.766 176.511 174.600 0.242 0.000 1.035 109 S CA 1.735 60.095 58.200 0.267 0.000 1.031 109 S CB -0.530 62.851 63.200 0.300 0.000 0.928 109 S HN 0.638 nan 8.310 nan 0.000 0.433 110 F N 2.297 122.323 119.950 0.127 0.000 2.250 110 F HA -0.036 4.494 4.527 0.005 0.000 0.301 110 F C 2.433 178.326 175.800 0.155 0.000 1.077 110 F CA 1.498 59.567 58.000 0.114 0.000 1.348 110 F CB -0.475 38.559 39.000 0.056 0.000 1.040 110 F HN 0.235 nan 8.300 nan 0.000 0.509 111 Q N 0.128 119.961 119.800 0.055 0.000 2.170 111 Q HA -0.157 4.186 4.340 0.005 0.000 0.203 111 Q C 2.596 178.661 176.000 0.109 0.000 0.976 111 Q CA 1.716 57.544 55.803 0.042 0.000 0.858 111 Q CB -0.675 28.198 28.738 0.225 0.000 0.907 111 Q HN 0.589 nan 8.270 nan 0.000 0.433 112 S N -0.503 115.276 115.700 0.132 0.000 2.436 112 S HA -0.036 4.437 4.470 0.005 0.000 0.228 112 S C 1.761 176.317 174.600 -0.073 0.000 1.014 112 S CA 1.025 59.304 58.200 0.131 0.000 0.950 112 S CB -0.011 63.272 63.200 0.139 0.000 0.784 112 S HN 0.287 nan 8.310 nan 0.000 0.504 113 S N -0.070 115.590 115.700 -0.067 0.000 2.629 113 S HA 0.647 5.120 4.470 0.005 0.000 0.236 113 S C 1.644 176.232 174.600 -0.020 0.000 1.010 113 S CA 0.089 58.275 58.200 -0.024 0.000 0.981 113 S CB 0.213 63.525 63.200 0.187 0.000 0.919 113 S HN 0.602 nan 8.310 nan 0.000 0.514 114 A N 2.648 125.254 122.820 -0.357 0.000 1.892 114 A HA -0.089 4.234 4.320 0.005 0.000 0.218 114 A C 2.276 179.859 177.584 -0.002 0.000 1.188 114 A CA 2.395 54.160 52.037 -0.455 0.000 0.631 114 A CB -1.763 16.783 19.000 -0.757 0.000 0.822 114 A HN 0.556 nan 8.150 nan 0.000 0.447 115 T N 0.168 114.709 114.554 -0.022 0.000 2.881 115 T HA -0.058 4.295 4.350 0.005 0.000 0.270 115 T C 1.718 176.465 174.700 0.078 0.000 1.068 115 T CA 1.418 63.551 62.100 0.055 0.000 1.131 115 T CB -0.412 68.474 68.868 0.030 0.000 0.871 115 T HN 0.455 nan 8.240 nan 0.000 0.479 116 I N -0.335 120.257 120.570 0.036 0.000 2.202 116 I HA -0.127 4.046 4.170 0.005 0.000 0.242 116 I C 2.107 178.191 176.117 -0.055 0.000 1.091 116 I CA 1.384 62.694 61.300 0.016 0.000 1.368 116 I CB -0.381 37.632 38.000 0.022 0.000 1.058 116 I HN 0.168 nan 8.210 nan 0.000 0.410 117 Y N 0.676 121.036 120.300 0.100 0.000 2.242 117 Y HA -0.272 4.281 4.550 0.005 0.000 0.291 117 Y C 2.315 178.327 175.900 0.187 0.000 1.137 117 Y CA 1.721 59.879 58.100 0.098 0.000 1.181 117 Y CB -0.549 38.129 38.460 0.364 0.000 0.989 117 Y HN 0.186 nan 8.280 nan 0.000 0.527 118 D N -0.445 120.189 120.400 0.389 0.000 2.123 118 D HA -0.164 4.480 4.640 0.005 0.000 0.196 118 D C 2.150 178.605 176.300 0.258 0.000 0.992 118 D CA 1.278 55.484 54.000 0.343 0.000 0.833 118 D CB -0.133 40.825 40.800 0.263 0.000 0.954 118 D HN 0.088 nan 8.370 nan 0.000 0.455 119 V N -0.373 119.657 119.914 0.193 0.000 2.515 119 V HA -0.242 3.881 4.120 0.005 0.000 0.250 119 V C 2.577 178.746 176.094 0.125 0.000 1.058 119 V CA 1.315 63.788 62.300 0.287 0.000 1.064 119 V CB -0.287 31.720 31.823 0.306 0.000 0.675 119 V HN 0.441 nan 8.190 nan 0.000 0.461 120 C N -1.004 118.093 119.300 -0.339 0.000 2.457 120 C HA -0.021 4.442 4.460 0.005 0.000 0.278 120 C C 2.453 176.944 174.990 -0.833 0.000 1.309 120 C CA 0.333 58.795 59.018 -0.926 0.000 1.735 120 C CB -1.075 25.433 27.740 -2.054 0.000 1.992 120 C HN 0.528 nan 8.230 nan 0.000 0.493 121 F N 1.563 121.307 119.950 -0.344 0.000 2.325 121 F HA -0.017 4.513 4.527 0.005 0.000 0.299 121 F C 2.303 178.050 175.800 -0.087 0.000 1.090 121 F CA 1.149 59.129 58.000 -0.033 0.000 1.392 121 F CB -0.448 38.629 39.000 0.128 0.000 1.053 121 F HN 0.268 nan 8.300 nan 0.000 0.521 122 N N -1.390 117.337 118.700 0.046 0.000 2.368 122 N HA -0.057 4.686 4.740 0.005 0.000 0.176 122 N C 1.135 176.246 175.510 -0.665 0.000 1.021 122 N CA 1.083 53.983 53.050 -0.249 0.000 0.888 122 N CB -0.072 38.315 38.487 -0.167 0.000 0.995 122 N HN 0.372 nan 8.380 nan 0.000 0.437 123 H N -2.766 116.234 119.070 -0.117 0.000 3.398 123 H HA 0.220 4.779 4.556 0.005 0.000 0.260 123 H C 0.382 175.301 175.328 -0.683 0.000 1.189 123 H CA -0.038 55.794 56.048 -0.361 0.000 1.145 123 H CB 0.597 30.134 29.762 -0.374 0.000 1.599 123 H HN 0.093 nan 8.280 nan 0.000 0.615 124 F N -0.305 119.575 119.950 -0.117 0.000 2.421 124 F HA 0.181 4.712 4.527 0.005 0.000 0.270 124 F C 0.456 176.270 175.800 0.024 0.000 0.894 124 F CA -0.389 57.546 58.000 -0.109 0.000 1.128 124 F CB 0.046 38.866 39.000 -0.299 0.000 1.011 124 F HN -0.173 nan 8.300 nan 0.000 0.788 125 F N 3.455 123.427 119.950 0.037 0.000 2.590 125 F HA 0.165 4.695 4.527 0.005 0.000 0.389 125 F C 0.671 176.508 175.800 0.061 0.000 1.049 125 F CA -0.467 57.526 58.000 -0.012 0.000 1.199 125 F CB -0.388 38.491 39.000 -0.201 0.000 1.058 125 F HN -0.211 nan 8.300 nan 0.000 0.556 126 R N 2.448 123.137 120.500 0.315 0.000 2.265 126 R HA 0.659 5.002 4.340 0.005 0.000 0.319 126 R C 0.026 176.432 176.300 0.177 0.000 1.006 126 R CA -0.731 55.508 56.100 0.230 0.000 0.880 126 R CB 1.167 31.605 30.300 0.231 0.000 1.077 126 R HN 0.694 nan 8.270 nan 0.000 0.454 127 A N 2.819 125.731 122.820 0.154 0.000 2.287 127 A HA 0.247 4.570 4.320 0.005 0.000 0.273 127 A C 0.173 177.796 177.584 0.064 0.000 1.091 127 A CA -0.560 51.538 52.037 0.102 0.000 0.817 127 A CB 0.378 19.422 19.000 0.073 0.000 1.069 127 A HN 0.838 nan 8.150 nan 0.000 0.492 128 R N 0.369 120.891 120.500 0.038 0.000 2.638 128 R HA 0.102 4.446 4.340 0.005 0.000 0.268 128 R C -0.030 176.252 176.300 -0.031 0.000 1.006 128 R CA 1.172 57.276 56.100 0.005 0.000 1.088 128 R CB -0.091 30.215 30.300 0.010 0.000 0.950 128 R HN 0.985 nan 8.270 nan 0.000 0.419 129 N N -0.098 118.540 118.700 -0.103 0.000 3.229 129 N HA 0.055 4.798 4.740 0.005 0.000 0.315 129 N C -0.208 175.230 175.510 -0.120 0.000 1.520 129 N CA -0.970 51.968 53.050 -0.187 0.000 0.769 129 N CB 0.693 38.808 38.487 -0.620 0.000 1.766 129 N HN 0.629 nan 8.380 nan 0.000 0.618 130 E N -1.227 118.906 120.200 -0.112 0.000 2.268 130 E HA -0.173 4.180 4.350 0.005 0.000 0.195 130 E C 0.669 177.241 176.600 -0.047 0.000 0.995 130 E CA 1.226 57.597 56.400 -0.049 0.000 0.836 130 E CB 0.138 29.827 29.700 -0.020 0.000 0.763 130 E HN 0.487 nan 8.360 nan 0.000 0.491 131 Q N 0.415 120.164 119.800 -0.086 0.000 2.324 131 Q HA 0.080 4.423 4.340 0.005 0.000 0.207 131 Q C 0.170 176.146 176.000 -0.040 0.000 0.928 131 Q CA 1.006 56.776 55.803 -0.054 0.000 0.890 131 Q CB 0.412 29.115 28.738 -0.058 0.000 1.001 131 Q HN 0.387 nan 8.270 nan 0.000 0.517 132 D N -2.820 117.546 120.400 -0.056 0.000 2.677 132 D HA 0.323 4.966 4.640 0.005 0.000 0.298 132 D C 0.471 176.762 176.300 -0.014 0.000 1.250 132 D CA -0.455 53.533 54.000 -0.020 0.000 0.888 132 D CB 0.079 40.873 40.800 -0.010 0.000 1.397 132 D HN -0.080 nan 8.370 nan 0.000 0.461 133 G N -1.225 107.588 108.800 0.021 0.000 2.882 133 G HA2 0.427 4.390 3.960 0.005 0.000 0.206 133 G HA3 0.427 4.390 3.960 0.005 0.000 0.206 133 G C 0.986 175.913 174.900 0.045 0.000 1.155 133 G CA 0.407 45.528 45.100 0.035 0.000 0.800 133 G HN 1.101 nan 8.290 nan 0.000 0.524 134 G N 0.067 108.888 108.800 0.035 0.000 2.698 134 G HA2 -0.224 3.739 3.960 0.005 0.000 0.233 134 G HA3 -0.224 3.739 3.960 0.005 0.000 0.233 134 G C -0.697 174.268 174.900 0.109 0.000 1.352 134 G CA -0.272 44.867 45.100 0.065 0.000 0.879 134 G HN 0.255 nan 8.290 nan 0.000 0.567 135 D N 0.508 120.998 120.400 0.150 0.000 2.389 135 D HA 0.408 5.052 4.640 0.005 0.000 0.247 135 D C 0.744 177.138 176.300 0.157 0.000 1.128 135 D CA 0.195 54.313 54.000 0.196 0.000 0.884 135 D CB 0.822 41.829 40.800 0.345 0.000 1.194 135 D HN 0.470 nan 8.370 nan 0.000 0.441 136 L N 2.278 123.613 121.223 0.187 0.000 2.259 136 L HA 0.263 4.607 4.340 0.005 0.000 0.288 136 L C -0.324 176.661 176.870 0.191 0.000 1.051 136 L CA -0.792 54.186 54.840 0.229 0.000 0.824 136 L CB 0.846 43.027 42.059 0.203 0.000 1.206 136 L HN -0.043 nan 8.230 nan 0.000 0.429 137 V N 3.495 123.449 119.914 0.067 0.000 2.350 137 V HA 0.181 4.304 4.120 0.005 0.000 0.276 137 V C -0.476 175.555 176.094 -0.106 0.000 1.028 137 V CA -0.493 61.681 62.300 -0.209 0.000 0.860 137 V CB 0.831 31.959 31.823 -1.158 0.000 0.990 137 V HN 0.397 nan 8.190 nan 0.000 0.453 138 Y N 4.884 125.159 120.300 -0.042 0.000 2.714 138 Y HA 0.435 4.989 4.550 0.005 0.000 0.333 138 Y C 0.319 176.297 175.900 0.130 0.000 1.220 138 Y CA -1.117 57.047 58.100 0.107 0.000 1.513 138 Y CB -0.344 38.123 38.460 0.012 0.000 1.435 138 Y HN 0.505 nan 8.280 nan 0.000 0.489 139 F N 0.952 121.077 119.950 0.291 0.000 2.572 139 F HA 0.003 4.533 4.527 0.005 0.000 0.370 139 F C 1.114 177.016 175.800 0.170 0.000 1.103 139 F CA -0.060 58.070 58.000 0.217 0.000 1.286 139 F CB 0.416 39.494 39.000 0.130 0.000 1.105 139 F HN 0.339 nan 8.300 nan 0.000 0.583 140 Q N 2.190 122.229 119.800 0.399 0.000 2.286 140 Q HA 0.037 4.381 4.340 0.005 0.000 0.290 140 Q C 1.377 177.403 176.000 0.043 0.000 1.049 140 Q CA 0.363 56.286 55.803 0.199 0.000 0.923 140 Q CB 1.008 29.847 28.738 0.169 0.000 1.183 140 Q HN 0.980 nan 8.270 nan 0.000 0.383 141 G N 3.330 112.124 108.800 -0.009 0.000 2.514 141 G HA2 -0.311 3.652 3.960 0.005 0.000 0.217 141 G HA3 -0.311 3.652 3.960 0.005 0.000 0.217 141 G C 0.881 175.797 174.900 0.028 0.000 1.198 141 G CA 1.124 46.170 45.100 -0.090 0.000 0.780 141 G HN 0.960 nan 8.290 nan 0.000 0.565 142 H N 0.648 119.667 119.070 -0.084 0.000 2.556 142 H HA 0.132 4.691 4.556 0.005 0.000 0.273 142 H C 1.590 176.962 175.328 0.073 0.000 1.030 142 H CA 0.640 56.691 56.048 0.005 0.000 1.156 142 H CB -0.477 28.942 29.762 -0.572 0.000 1.326 142 H HN 0.562 nan 8.280 nan 0.000 0.609 143 I N -1.219 119.282 120.570 -0.114 0.000 3.914 143 I HA 0.202 4.375 4.170 0.005 0.000 0.333 143 I C 1.682 177.663 176.117 -0.227 0.000 1.449 143 I CA -0.229 61.029 61.300 -0.071 0.000 1.135 143 I CB 0.265 38.305 38.000 0.067 0.000 1.073 143 I HN 0.032 nan 8.210 nan 0.000 0.401 144 S N 1.245 116.864 115.700 -0.136 0.000 2.383 144 S HA -0.017 4.456 4.470 0.005 0.000 0.229 144 S C -0.380 173.961 174.600 -0.430 0.000 1.030 144 S CA 1.091 59.138 58.200 -0.255 0.000 1.002 144 S CB -2.153 60.946 63.200 -0.168 0.000 0.829 144 S HN 0.366 nan 8.310 nan 0.000 0.467 145 P HA -0.010 nan 4.420 nan 0.000 0.217 145 P C 1.773 178.776 177.300 -0.495 0.000 1.148 145 P CA 1.685 64.601 63.100 -0.306 0.000 0.828 145 P CB -0.689 30.822 31.700 -0.316 0.000 0.783 146 G N -0.818 107.421 108.800 -0.936 0.000 2.421 146 G HA2 -0.150 3.813 3.960 0.005 0.000 0.217 146 G HA3 -0.150 3.813 3.960 0.005 0.000 0.217 146 G C 1.521 175.932 174.900 -0.814 0.000 1.143 146 G CA 0.369 44.497 45.100 -1.619 0.000 0.784 146 G HN 0.177 nan 8.290 nan 0.000 0.541 147 V N -0.202 119.342 119.914 -0.616 0.000 2.488 147 V HA -0.056 4.068 4.120 0.005 0.000 0.246 147 V C 2.319 178.270 176.094 -0.238 0.000 1.046 147 V CA 0.888 62.927 62.300 -0.436 0.000 1.053 147 V CB -0.589 30.959 31.823 -0.458 0.000 0.679 147 V HN 0.348 nan 8.190 nan 0.000 0.458 148 Y N 0.812 121.003 120.300 -0.181 0.000 2.263 148 Y HA 0.005 4.558 4.550 0.005 0.000 0.292 148 Y C 2.548 178.337 175.900 -0.184 0.000 1.130 148 Y CA 0.520 58.509 58.100 -0.185 0.000 1.179 148 Y CB -1.269 37.074 38.460 -0.196 0.000 0.998 148 Y HN 0.191 nan 8.280 nan 0.000 0.532 149 A N 0.281 123.056 122.820 -0.076 0.000 1.902 149 A HA -0.228 4.095 4.320 0.005 0.000 0.217 149 A C 2.410 180.014 177.584 0.033 0.000 1.181 149 A CA 1.936 53.942 52.037 -0.051 0.000 0.623 149 A CB -0.675 18.269 19.000 -0.093 0.000 0.818 149 A HN 0.424 nan 8.150 nan 0.000 0.443 150 R N -0.499 119.958 120.500 -0.071 0.000 2.090 150 R HA 0.010 4.353 4.340 0.005 0.000 0.228 150 R C 2.257 178.500 176.300 -0.095 0.000 1.110 150 R CA 1.315 57.348 56.100 -0.111 0.000 0.973 150 R CB -0.405 29.705 30.300 -0.318 0.000 0.869 150 R HN 0.394 nan 8.270 nan 0.000 0.440 151 A N 0.676 123.463 122.820 -0.054 0.000 1.902 151 A HA -0.190 4.133 4.320 0.005 0.000 0.217 151 A C 1.966 179.541 177.584 -0.014 0.000 1.181 151 A CA 1.320 53.352 52.037 -0.007 0.000 0.623 151 A CB -0.797 18.289 19.000 0.143 0.000 0.818 151 A HN 0.573 nan 8.150 nan 0.000 0.443 152 F N 0.012 119.883 119.950 -0.131 0.000 2.134 152 F HA -0.106 4.424 4.527 0.006 0.000 0.299 152 F C 1.732 177.475 175.800 -0.095 0.000 1.097 152 F CA 1.685 59.593 58.000 -0.153 0.000 1.264 152 F CB -0.349 38.515 39.000 -0.227 0.000 1.001 152 F HN 0.151 nan 8.300 nan 0.000 0.479 153 L N 0.703 121.846 121.223 -0.134 0.000 2.191 153 L HA -0.135 4.209 4.340 0.005 0.000 0.212 153 L C 1.960 178.738 176.870 -0.152 0.000 1.103 153 L CA 1.707 56.444 54.840 -0.171 0.000 0.769 153 L CB -0.680 41.411 42.059 0.054 0.000 0.908 153 L HN 0.207 nan 8.230 nan 0.000 0.438 154 E N -1.145 118.952 120.200 -0.170 0.000 2.489 154 E HA 0.132 4.486 4.350 0.005 0.000 0.193 154 E C 1.301 177.826 176.600 -0.125 0.000 1.057 154 E CA 0.513 56.800 56.400 -0.188 0.000 0.866 154 E CB 0.032 29.568 29.700 -0.274 0.000 0.916 154 E HN 0.502 nan 8.360 nan 0.000 0.500 155 G N 1.895 110.581 108.800 -0.191 0.000 2.143 155 G HA2 -0.340 3.623 3.960 0.005 0.000 0.249 155 G HA3 -0.340 3.623 3.960 0.005 0.000 0.249 155 G C 0.868 175.665 174.900 -0.171 0.000 0.981 155 G CA 0.410 45.398 45.100 -0.188 0.000 0.665 155 G HN 0.255 nan 8.290 nan 0.000 0.528 156 R N -0.925 119.475 120.500 -0.167 0.000 2.254 156 R HA 0.381 4.724 4.340 0.005 0.000 0.195 156 R C 0.912 177.161 176.300 -0.086 0.000 0.957 156 R CA 0.419 56.449 56.100 -0.117 0.000 1.024 156 R CB 0.402 30.654 30.300 -0.080 0.000 0.952 156 R HN 0.422 nan 8.270 nan 0.000 0.484 157 L N 1.048 122.227 121.223 -0.073 0.000 2.370 157 L HA 0.338 4.682 4.340 0.005 0.000 0.266 157 L C 0.223 177.125 176.870 0.054 0.000 1.002 157 L CA -0.892 53.908 54.840 -0.065 0.000 0.818 157 L CB 2.266 44.262 42.059 -0.105 0.000 1.325 157 L HN 0.014 nan 8.230 nan 0.000 0.418 158 T N -2.507 112.055 114.554 0.013 0.000 2.881 158 T HA 0.152 4.505 4.350 0.005 0.000 0.278 158 T C 0.592 175.324 174.700 0.053 0.000 0.982 158 T CA -0.518 61.629 62.100 0.078 0.000 0.989 158 T CB 1.677 70.547 68.868 0.004 0.000 1.058 158 T HN 0.728 nan 8.240 nan 0.000 0.529 159 Q N -0.171 119.682 119.800 0.087 0.000 2.224 159 Q HA -0.136 4.207 4.340 0.005 0.000 0.203 159 Q C 2.020 177.949 176.000 -0.118 0.000 0.970 159 Q CA 1.429 57.136 55.803 -0.160 0.000 0.865 159 Q CB -0.113 28.663 28.738 0.063 0.000 0.922 159 Q HN 0.880 nan 8.270 nan 0.000 0.445 160 E N 0.056 120.231 120.200 -0.043 0.000 2.106 160 E HA -0.228 4.125 4.350 0.005 0.000 0.192 160 E C 1.944 178.497 176.600 -0.078 0.000 0.984 160 E CA 1.147 57.525 56.400 -0.036 0.000 0.806 160 E CB 0.088 29.774 29.700 -0.023 0.000 0.750 160 E HN 0.553 nan 8.360 nan 0.000 0.458 161 Q N 0.156 119.882 119.800 -0.123 0.000 2.046 161 Q HA -0.113 4.230 4.340 0.005 0.000 0.200 161 Q C 2.469 178.340 176.000 -0.215 0.000 0.975 161 Q CA 1.077 56.775 55.803 -0.175 0.000 0.836 161 Q CB -0.008 28.598 28.738 -0.220 0.000 0.896 161 Q HN 0.346 nan 8.270 nan 0.000 0.428 162 L N 0.748 121.793 121.223 -0.296 0.000 2.083 162 L HA -0.208 4.136 4.340 0.005 0.000 0.209 162 L C 1.635 178.435 176.870 -0.116 0.000 1.083 162 L CA 0.918 55.551 54.840 -0.345 0.000 0.752 162 L CB -0.346 41.248 42.059 -0.775 0.000 0.899 162 L HN 0.209 nan 8.230 nan 0.000 0.433 163 D N -0.190 120.172 120.400 -0.064 0.000 2.264 163 D HA -0.111 4.533 4.640 0.005 0.000 0.208 163 D C 1.245 177.563 176.300 0.030 0.000 0.966 163 D CA 0.819 54.843 54.000 0.040 0.000 0.864 163 D CB -0.082 40.745 40.800 0.045 0.000 0.933 163 D HN 0.212 nan 8.370 nan 0.000 0.499 164 N N 0.159 118.854 118.700 -0.008 0.000 2.279 164 N HA -0.001 4.742 4.740 0.005 0.000 0.226 164 N C -0.267 175.238 175.510 -0.008 0.000 1.126 164 N CA -0.310 52.732 53.050 -0.013 0.000 0.846 164 N CB -0.124 38.337 38.487 -0.044 0.000 1.050 164 N HN 0.094 nan 8.380 nan 0.000 0.502 165 F N 2.354 122.225 119.950 -0.133 0.000 2.602 165 F HA 0.012 4.542 4.527 0.005 0.000 0.385 165 F C 1.208 176.962 175.800 -0.076 0.000 1.063 165 F CA 0.158 58.078 58.000 -0.133 0.000 1.233 165 F CB 0.282 39.226 39.000 -0.094 0.000 1.067 165 F HN 0.144 nan 8.300 nan 0.000 0.564 166 R N 3.094 123.206 120.500 -0.646 0.000 3.770 166 R HA -0.217 4.126 4.340 0.005 0.000 0.305 166 R C -0.760 175.385 176.300 -0.258 0.000 1.184 166 R CA 1.002 56.771 56.100 -0.553 0.000 0.823 166 R CB -1.830 28.021 30.300 -0.749 0.000 1.285 166 R HN 0.810 nan 8.270 nan 0.000 0.499 167 Q N 0.064 119.763 119.800 -0.169 0.000 3.412 167 Q HA 0.080 4.424 4.340 0.005 0.000 0.219 167 Q C 0.131 176.083 176.000 -0.079 0.000 0.913 167 Q CA -0.214 55.531 55.803 -0.096 0.000 0.722 167 Q CB 1.149 29.860 28.738 -0.045 0.000 1.385 167 Q HN 0.423 nan 8.270 nan 0.000 0.461 168 E N -0.501 119.643 120.200 -0.093 0.000 2.473 168 E HA 0.040 4.394 4.350 0.005 0.000 0.204 168 E C 1.206 177.753 176.600 -0.088 0.000 0.994 168 E CA 0.021 56.377 56.400 -0.074 0.000 0.945 168 E CB 0.374 30.039 29.700 -0.059 0.000 0.990 168 E HN 0.132 nan 8.360 nan 0.000 0.493 169 V N 1.541 121.361 119.914 -0.157 0.000 2.660 169 V HA -0.262 3.861 4.120 0.005 0.000 0.257 169 V C 1.264 177.173 176.094 -0.308 0.000 1.088 169 V CA 2.173 64.320 62.300 -0.254 0.000 1.106 169 V CB -0.807 30.794 31.823 -0.369 0.000 0.686 169 V HN 0.425 nan 8.190 nan 0.000 0.481 170 H N -1.726 117.327 119.070 -0.029 0.000 2.586 170 H HA 0.393 4.952 4.556 0.005 0.000 0.273 170 H C 1.700 177.012 175.328 -0.027 0.000 0.997 170 H CA 0.561 56.593 56.048 -0.026 0.000 1.177 170 H CB 0.933 30.679 29.762 -0.027 0.000 1.471 170 H HN 0.456 nan 8.280 nan 0.000 0.538 171 G N 0.536 109.369 108.800 0.054 0.000 2.391 171 G HA2 -0.262 3.701 3.960 0.005 0.000 0.204 171 G HA3 -0.262 3.701 3.960 0.005 0.000 0.204 171 G C 0.549 175.445 174.900 -0.007 0.000 1.012 171 G CA -0.068 45.046 45.100 0.022 0.000 0.651 171 G HN 0.405 nan 8.290 nan 0.000 0.494 172 N N 1.248 119.942 118.700 -0.010 0.000 2.416 172 N HA 0.401 5.144 4.740 0.005 0.000 0.267 172 N C 0.713 176.180 175.510 -0.072 0.000 1.294 172 N CA 0.609 53.633 53.050 -0.044 0.000 0.891 172 N CB 0.685 39.150 38.487 -0.036 0.000 1.238 172 N HN 0.547 nan 8.380 nan 0.000 0.508 173 G N 0.105 108.860 108.800 -0.074 0.000 2.753 173 G HA2 0.695 4.659 3.960 0.005 0.000 0.285 173 G HA3 0.695 4.659 3.960 0.005 0.000 0.285 173 G C -0.794 174.010 174.900 -0.160 0.000 1.344 173 G CA -0.399 44.639 45.100 -0.104 0.000 1.050 173 G HN 0.091 nan 8.290 nan 0.000 0.532 174 L N 0.292 121.403 121.223 -0.188 0.000 2.386 174 L HA 0.397 4.740 4.340 0.005 0.000 0.271 174 L C 0.113 176.929 176.870 -0.089 0.000 0.993 174 L CA -0.799 53.893 54.840 -0.247 0.000 0.819 174 L CB 2.322 44.016 42.059 -0.607 0.000 1.294 174 L HN 0.438 nan 8.230 nan 0.000 0.414 175 S N 0.002 115.767 115.700 0.109 0.000 2.579 175 S HA 0.048 4.521 4.470 0.005 0.000 0.275 175 S C 1.247 175.914 174.600 0.111 0.000 1.345 175 S CA -0.237 58.053 58.200 0.150 0.000 1.031 175 S CB 1.434 64.838 63.200 0.339 0.000 0.892 175 S HN 0.828 nan 8.310 nan 0.000 0.529 176 S N 1.098 116.700 115.700 -0.164 0.000 2.359 176 S HA -0.116 4.357 4.470 0.005 0.000 0.224 176 S C 0.128 174.428 174.600 -0.500 0.000 1.035 176 S CA 1.110 58.991 58.200 -0.532 0.000 1.018 176 S CB -0.635 62.020 63.200 -0.908 0.000 0.876 176 S HN 0.721 nan 8.310 nan 0.000 0.448 177 Y N 0.493 120.780 120.300 -0.021 0.000 2.698 177 Y HA 0.591 5.144 4.550 0.005 0.000 0.332 177 Y C -2.996 172.278 175.900 -1.043 0.000 1.119 177 Y CA -3.244 54.595 58.100 -0.435 0.000 1.109 177 Y CB -0.175 38.059 38.460 -0.377 0.000 1.308 177 Y HN -0.186 nan 8.280 nan 0.000 0.499 178 P HA 0.075 nan 4.420 nan 0.000 0.263 178 P C -1.074 175.735 177.300 -0.818 0.000 1.247 178 P CA 0.783 62.868 63.100 -1.692 0.000 0.876 178 P CB -0.176 30.859 31.700 -1.110 0.000 0.928 179 H N 4.539 123.516 119.070 -0.156 0.000 2.953 179 H HA 0.190 4.749 4.556 0.005 0.000 0.290 179 H C -1.898 173.553 175.328 0.205 0.000 1.113 179 H CA -2.010 54.089 56.048 0.084 0.000 1.454 179 H CB 1.336 31.159 29.762 0.101 0.000 1.525 179 H HN 0.204 nan 8.280 nan 0.000 0.505 180 P HA -0.215 nan 4.420 nan 0.000 0.216 180 P C 1.794 179.194 177.300 0.166 0.000 1.153 180 P CA 1.414 64.635 63.100 0.202 0.000 0.858 180 P CB 0.640 32.396 31.700 0.093 0.000 0.789 181 K N -0.172 120.309 120.400 0.135 0.000 2.152 181 K HA -0.103 4.220 4.320 0.005 0.000 0.206 181 K C 1.825 178.477 176.600 0.086 0.000 1.048 181 K CA 1.377 57.712 56.287 0.079 0.000 0.933 181 K CB -0.864 31.647 32.500 0.018 0.000 0.721 181 K HN 0.101 nan 8.250 nan 0.000 0.447 182 L N -0.940 120.366 121.223 0.140 0.000 2.298 182 L HA 0.205 4.548 4.340 0.005 0.000 0.209 182 L C 0.846 177.807 176.870 0.151 0.000 1.084 182 L CA 0.328 55.246 54.840 0.129 0.000 0.816 182 L CB 0.089 42.240 42.059 0.153 0.000 0.967 182 L HN 0.114 nan 8.230 nan 0.000 0.460 183 M N 0.726 120.465 119.600 0.231 0.000 2.389 183 M HA 0.223 4.706 4.480 0.005 0.000 0.206 183 M C -1.841 174.582 176.300 0.205 0.000 0.976 183 M CA -1.263 54.165 55.300 0.213 0.000 0.648 183 M CB 1.634 34.420 32.600 0.310 0.000 1.474 183 M HN -0.240 nan 8.290 nan 0.000 0.398 184 P HA -0.167 nan 4.420 nan 0.000 0.222 184 P C 0.213 177.560 177.300 0.080 0.000 1.142 184 P CA 1.448 64.608 63.100 0.100 0.000 0.788 184 P CB 0.215 31.959 31.700 0.073 0.000 0.767 185 E N -3.309 116.946 120.200 0.091 0.000 2.526 185 E HA 0.132 4.486 4.350 0.005 0.000 0.208 185 E C 0.821 177.474 176.600 0.088 0.000 0.997 185 E CA -0.225 56.216 56.400 0.068 0.000 0.961 185 E CB 0.134 29.869 29.700 0.059 0.000 1.030 185 E HN 0.230 nan 8.360 nan 0.000 0.483 186 F N -0.247 119.647 119.950 -0.094 0.000 2.444 186 F HA 0.251 4.781 4.527 0.005 0.000 0.263 186 F C -0.048 175.613 175.800 -0.232 0.000 0.912 186 F CA -0.178 57.679 58.000 -0.238 0.000 1.122 186 F CB 0.238 39.004 39.000 -0.390 0.000 1.246 186 F HN -0.142 nan 8.300 nan 0.000 0.752 187 W N 2.110 123.499 121.300 0.149 0.000 2.184 187 W HA 0.303 4.966 4.660 0.005 0.000 0.338 187 W C 1.060 177.474 176.519 -0.175 0.000 1.257 187 W CA -0.163 57.171 57.345 -0.018 0.000 1.243 187 W CB 0.724 30.250 29.460 0.109 0.000 1.122 187 W HN 0.168 nan 8.180 nan 0.000 0.585 188 Q N 0.547 120.324 119.800 -0.039 0.000 2.534 188 Q HA 0.160 4.503 4.340 0.005 0.000 0.252 188 Q C -0.611 174.889 176.000 -0.834 0.000 0.850 188 Q CA 0.267 55.695 55.803 -0.625 0.000 0.974 188 Q CB 0.637 28.661 28.738 -1.190 0.000 1.205 188 Q HN 0.309 nan 8.270 nan 0.000 0.593 189 F N 1.751 121.675 119.950 -0.044 0.000 2.477 189 F HA 0.417 4.947 4.527 0.005 0.000 0.335 189 F C -2.421 173.349 175.800 -0.049 0.000 1.130 189 F CA -3.201 54.714 58.000 -0.141 0.000 0.948 189 F CB 1.102 39.745 39.000 -0.596 0.000 1.154 189 F HN -0.184 nan 8.300 nan 0.000 0.439 190 P HA 0.163 nan 4.420 nan 0.000 0.275 190 P C 0.575 177.957 177.300 0.138 0.000 1.276 190 P CA -0.067 63.100 63.100 0.112 0.000 0.782 190 P CB 0.631 32.455 31.700 0.206 0.000 0.851 191 T N -2.152 112.430 114.554 0.047 0.000 3.003 191 T HA 0.039 4.392 4.350 0.005 0.000 0.261 191 T C 1.332 176.030 174.700 -0.003 0.000 1.003 191 T CA 0.048 62.196 62.100 0.079 0.000 0.917 191 T CB -0.635 68.311 68.868 0.130 0.000 1.084 191 T HN 0.037 nan 8.240 nan 0.000 0.522 192 V N 0.792 120.643 119.914 -0.105 0.000 2.469 192 V HA -0.040 4.083 4.120 0.005 0.000 0.251 192 V C 1.759 177.787 176.094 -0.111 0.000 1.064 192 V CA 1.221 63.382 62.300 -0.232 0.000 1.066 192 V CB -1.233 30.259 31.823 -0.551 0.000 0.667 192 V HN 0.517 nan 8.190 nan 0.000 0.461 193 S N 2.684 118.382 115.700 -0.002 0.000 2.498 193 S HA 0.302 4.776 4.470 0.005 0.000 0.314 193 S C 0.416 175.031 174.600 0.025 0.000 1.141 193 S CA -0.487 57.727 58.200 0.025 0.000 1.087 193 S CB -0.727 62.524 63.200 0.084 0.000 1.178 193 S HN 0.368 nan 8.310 nan 0.000 0.533 194 M N 3.503 123.102 119.600 -0.001 0.000 2.246 194 M HA 0.136 4.619 4.480 0.005 0.000 0.327 194 M C 1.731 178.042 176.300 0.017 0.000 1.090 194 M CA 1.242 56.546 55.300 0.008 0.000 1.087 194 M CB -1.072 31.526 32.600 -0.003 0.000 1.587 194 M HN 0.861 nan 8.290 nan 0.000 0.444 195 G N 0.985 109.793 108.800 0.013 0.000 2.336 195 G HA2 -0.255 3.708 3.960 0.005 0.000 0.233 195 G HA3 -0.255 3.708 3.960 0.005 0.000 0.233 195 G C 0.542 175.464 174.900 0.036 0.000 1.053 195 G CA 0.247 45.357 45.100 0.017 0.000 0.625 195 G HN 0.538 nan 8.290 nan 0.000 0.511 196 L N 1.956 123.213 121.223 0.056 0.000 2.072 196 L HA 0.265 4.608 4.340 0.005 0.000 0.205 196 L C 3.076 180.002 176.870 0.093 0.000 1.079 196 L CA 2.773 57.665 54.840 0.086 0.000 0.752 196 L CB -1.310 40.817 42.059 0.115 0.000 0.906 196 L HN 0.429 nan 8.230 nan 0.000 0.436 197 G N 0.023 108.878 108.800 0.091 0.000 2.440 197 G HA2 -0.203 3.760 3.960 0.005 0.000 0.218 197 G HA3 -0.203 3.760 3.960 0.005 0.000 0.218 197 G C -0.670 174.159 174.900 -0.119 0.000 1.154 197 G CA 0.759 45.911 45.100 0.087 0.000 0.767 197 G HN 0.337 nan 8.290 nan 0.000 0.552 198 P HA -0.039 nan 4.420 nan 0.000 0.215 198 P C 1.953 179.324 177.300 0.119 0.000 1.157 198 P CA 0.540 63.534 63.100 -0.177 0.000 0.863 198 P CB -0.057 31.511 31.700 -0.220 0.000 0.787 199 I N -0.671 119.977 120.570 0.130 0.000 2.439 199 I HA -0.073 4.100 4.170 0.005 0.000 0.251 199 I C 2.108 178.357 176.117 0.220 0.000 1.139 199 I CA 1.573 63.005 61.300 0.220 0.000 1.438 199 I CB -0.747 37.367 38.000 0.190 0.000 1.085 199 I HN -0.107 nan 8.210 nan 0.000 0.427 200 G N 0.162 109.018 108.800 0.094 0.000 2.418 200 G HA2 -0.269 3.694 3.960 0.005 0.000 0.217 200 G HA3 -0.269 3.694 3.960 0.005 0.000 0.217 200 G C 1.739 176.576 174.900 -0.105 0.000 1.158 200 G CA 0.686 45.833 45.100 0.079 0.000 0.771 200 G HN 0.548 nan 8.290 nan 0.000 0.545 201 A N 0.664 123.202 122.820 -0.469 0.000 1.902 201 A HA 0.056 4.379 4.320 0.005 0.000 0.217 201 A C 2.398 179.874 177.584 -0.181 0.000 1.181 201 A CA 1.261 52.892 52.037 -0.676 0.000 0.623 201 A CB -0.367 18.187 19.000 -0.743 0.000 0.818 201 A HN 0.369 nan 8.150 nan 0.000 0.443 202 I N -1.931 118.629 120.570 -0.016 0.000 2.163 202 I HA -0.305 3.869 4.170 0.005 0.000 0.243 202 I C 2.165 178.139 176.117 -0.239 0.000 1.085 202 I CA 1.577 62.809 61.300 -0.114 0.000 1.347 202 I CB -0.346 37.582 38.000 -0.119 0.000 1.044 202 I HN 0.427 nan 8.210 nan 0.000 0.408 203 Y N -0.107 120.194 120.300 0.001 0.000 2.571 203 Y HA -0.190 4.363 4.550 0.005 0.000 0.294 203 Y C 2.499 178.432 175.900 0.055 0.000 1.141 203 Y CA 0.770 58.885 58.100 0.025 0.000 1.308 203 Y CB -0.168 38.301 38.460 0.015 0.000 1.002 203 Y HN 0.244 nan 8.280 nan 0.000 0.551 204 Q N 0.326 120.194 119.800 0.113 0.000 2.163 204 Q HA 0.013 4.356 4.340 0.005 0.000 0.198 204 Q C 2.217 178.287 176.000 0.117 0.000 0.954 204 Q CA 1.283 57.165 55.803 0.132 0.000 0.851 204 Q CB -0.245 28.548 28.738 0.091 0.000 0.928 204 Q HN 0.299 nan 8.270 nan 0.000 0.459 205 A N 0.832 123.660 122.820 0.014 0.000 1.898 205 A HA -0.132 4.192 4.320 0.005 0.000 0.216 205 A C 2.091 179.676 177.584 0.003 0.000 1.181 205 A CA 1.414 53.435 52.037 -0.025 0.000 0.620 205 A CB -0.499 18.432 19.000 -0.116 0.000 0.819 205 A HN 0.255 nan 8.150 nan 0.000 0.442 206 K N -1.428 118.973 120.400 0.003 0.000 2.097 206 K HA -0.117 4.206 4.320 0.005 0.000 0.206 206 K C 1.749 178.432 176.600 0.138 0.000 1.049 206 K CA 1.342 57.661 56.287 0.054 0.000 0.933 206 K CB -0.355 32.149 32.500 0.007 0.000 0.717 206 K HN 0.475 nan 8.250 nan 0.000 0.442 207 F N 1.783 121.756 119.950 0.038 0.000 2.186 207 F HA -0.135 4.395 4.527 0.005 0.000 0.299 207 F C 1.959 177.819 175.800 0.101 0.000 1.090 207 F CA 1.011 59.045 58.000 0.056 0.000 1.307 207 F CB -0.124 38.900 39.000 0.040 0.000 1.019 207 F HN -0.067 nan 8.300 nan 0.000 0.489 208 L N -0.301 120.993 121.223 0.118 0.000 2.046 208 L HA -0.257 4.086 4.340 0.005 0.000 0.208 208 L C 2.443 179.259 176.870 -0.091 0.000 1.077 208 L CA 1.605 56.455 54.840 0.016 0.000 0.747 208 L CB -0.699 41.386 42.059 0.042 0.000 0.896 208 L HN 0.049 nan 8.230 nan 0.000 0.432 209 K N -0.563 119.805 120.400 -0.052 0.000 2.032 209 K HA -0.250 4.073 4.320 0.005 0.000 0.209 209 K C 2.042 178.586 176.600 -0.094 0.000 1.048 209 K CA 1.557 57.789 56.287 -0.090 0.000 0.927 209 K CB -0.488 32.051 32.500 0.066 0.000 0.712 209 K HN 0.159 nan 8.250 nan 0.000 0.441 210 Y N 0.497 120.648 120.300 -0.248 0.000 2.151 210 Y HA -0.267 4.287 4.550 0.005 0.000 0.284 210 Y C 1.605 177.216 175.900 -0.482 0.000 1.166 210 Y CA 1.433 59.193 58.100 -0.568 0.000 1.163 210 Y CB -0.298 37.626 38.460 -0.893 0.000 0.974 210 Y HN -0.016 nan 8.280 nan 0.000 0.511 211 L N 0.818 121.726 121.223 -0.524 0.000 2.131 211 L HA -0.177 4.166 4.340 0.005 0.000 0.210 211 L C 2.485 179.155 176.870 -0.333 0.000 1.092 211 L CA 1.913 56.465 54.840 -0.479 0.000 0.759 211 L CB -1.135 40.742 42.059 -0.303 0.000 0.903 211 L HN 0.407 nan 8.230 nan 0.000 0.435 212 E N -1.577 118.451 120.200 -0.288 0.000 2.076 212 E HA -0.183 4.170 4.350 0.005 0.000 0.190 212 E C 2.053 178.521 176.600 -0.220 0.000 0.979 212 E CA 0.770 57.019 56.400 -0.251 0.000 0.807 212 E CB 0.043 29.569 29.700 -0.291 0.000 0.761 212 E HN 0.619 nan 8.360 nan 0.000 0.454 213 H N -0.362 118.633 119.070 -0.124 0.000 2.357 213 H HA 0.057 4.616 4.556 0.005 0.000 0.301 213 H C 1.905 177.158 175.328 -0.125 0.000 1.082 213 H CA 0.975 56.990 56.048 -0.055 0.000 1.342 213 H CB 0.250 30.089 29.762 0.129 0.000 1.389 213 H HN -0.040 nan 8.280 nan 0.000 0.511 214 R N 0.218 120.616 120.500 -0.169 0.000 2.307 214 R HA 0.019 4.362 4.340 0.005 0.000 0.199 214 R C 0.888 177.085 176.300 -0.171 0.000 1.000 214 R CA 0.680 56.632 56.100 -0.247 0.000 1.023 214 R CB 0.250 30.217 30.300 -0.555 0.000 0.908 214 R HN 0.502 nan 8.270 nan 0.000 0.473 215 G N 1.204 109.918 108.800 -0.143 0.000 2.160 215 G HA2 -0.258 3.705 3.960 0.005 0.000 0.251 215 G HA3 -0.258 3.705 3.960 0.005 0.000 0.251 215 G C 0.614 175.448 174.900 -0.110 0.000 1.008 215 G CA 0.157 45.195 45.100 -0.103 0.000 0.724 215 G HN 0.307 nan 8.290 nan 0.000 0.514 216 L N -1.330 119.801 121.223 -0.153 0.000 2.249 216 L HA 0.411 4.754 4.340 0.005 0.000 0.207 216 L C 1.243 178.059 176.870 -0.089 0.000 1.090 216 L CA 1.262 56.028 54.840 -0.124 0.000 0.802 216 L CB 0.252 42.213 42.059 -0.163 0.000 0.947 216 L HN 0.266 nan 8.230 nan 0.000 0.453 217 K N -0.077 120.260 120.400 -0.104 0.000 2.569 217 K HA 0.079 4.403 4.320 0.005 0.000 0.259 217 K C -1.676 174.875 176.600 -0.082 0.000 0.932 217 K CA -0.618 55.627 56.287 -0.071 0.000 0.833 217 K CB 1.806 34.279 32.500 -0.044 0.000 1.340 217 K HN -0.256 nan 8.250 nan 0.000 0.429 218 D N 2.910 123.274 120.400 -0.060 0.000 2.402 218 D HA 0.040 4.683 4.640 0.005 0.000 0.235 218 D C 0.405 176.675 176.300 -0.050 0.000 1.226 218 D CA 0.081 54.044 54.000 -0.062 0.000 0.918 218 D CB 0.851 41.624 40.800 -0.045 0.000 1.043 218 D HN 0.554 nan 8.370 nan 0.000 0.506 219 T N -0.541 113.975 114.554 -0.063 0.000 3.163 219 T HA -0.013 4.341 4.350 0.005 0.000 0.252 219 T C 1.713 176.389 174.700 -0.040 0.000 1.056 219 T CA 0.213 62.289 62.100 -0.039 0.000 0.947 219 T CB -0.172 68.675 68.868 -0.036 0.000 1.016 219 T HN 0.217 nan 8.240 nan 0.000 0.554 220 S N 1.670 117.339 115.700 -0.052 0.000 2.440 220 S HA -0.078 4.395 4.470 0.005 0.000 0.238 220 S C 1.580 176.168 174.600 -0.021 0.000 1.010 220 S CA 0.620 58.791 58.200 -0.048 0.000 0.972 220 S CB -0.451 62.718 63.200 -0.052 0.000 0.774 220 S HN 0.573 nan 8.310 nan 0.000 0.501 221 K N 0.688 121.087 120.400 -0.002 0.000 2.410 221 K HA 0.272 4.596 4.320 0.005 0.000 0.200 221 K C 0.071 176.698 176.600 0.046 0.000 1.023 221 K CA -0.046 56.256 56.287 0.025 0.000 1.149 221 K CB 0.345 32.864 32.500 0.033 0.000 0.859 221 K HN 0.525 nan 8.250 nan 0.000 0.514 222 Q N 0.302 120.121 119.800 0.030 0.000 2.282 222 Q HA 0.263 4.606 4.340 0.005 0.000 0.260 222 Q C -0.837 175.178 176.000 0.026 0.000 0.964 222 Q CA -0.309 55.525 55.803 0.051 0.000 0.880 222 Q CB 2.214 30.981 28.738 0.049 0.000 1.286 222 Q HN -0.065 nan 8.270 nan 0.000 0.445 223 T N 1.288 115.869 114.554 0.044 0.000 2.856 223 T HA 0.425 4.778 4.350 0.005 0.000 0.283 223 T C -0.646 174.004 174.700 -0.083 0.000 1.008 223 T CA -0.542 61.508 62.100 -0.084 0.000 0.997 223 T CB 1.353 70.122 68.868 -0.165 0.000 0.992 223 T HN 0.239 nan 8.240 nan 0.000 0.454 224 V N 3.893 123.711 119.914 -0.161 0.000 2.350 224 V HA 0.390 4.513 4.120 0.005 0.000 0.276 224 V C -1.149 174.874 176.094 -0.118 0.000 1.028 224 V CA -0.743 61.529 62.300 -0.047 0.000 0.860 224 V CB 0.249 32.049 31.823 -0.039 0.000 0.990 224 V HN 0.796 nan 8.190 nan 0.000 0.453 225 Y N 2.800 123.180 120.300 0.133 0.000 2.335 225 Y HA 0.685 5.238 4.550 0.005 0.000 0.338 225 Y C 0.445 176.438 175.900 0.154 0.000 0.977 225 Y CA -0.608 57.584 58.100 0.153 0.000 1.114 225 Y CB 1.870 40.530 38.460 0.333 0.000 1.182 225 Y HN 0.654 nan 8.280 nan 0.000 0.463 226 A N 4.563 127.482 122.820 0.164 0.000 2.277 226 A HA 0.610 4.934 4.320 0.005 0.000 0.318 226 A C -1.414 176.124 177.584 -0.077 0.000 1.339 226 A CA -0.502 51.543 52.037 0.014 0.000 0.875 226 A CB -0.283 18.553 19.000 -0.272 0.000 1.158 226 A HN 0.622 nan 8.150 nan 0.000 0.514 227 F N 3.260 123.222 119.950 0.020 0.000 2.375 227 F HA 0.478 5.008 4.527 0.005 0.000 0.362 227 F C 0.221 176.007 175.800 -0.024 0.000 1.129 227 F CA 0.056 58.062 58.000 0.011 0.000 1.154 227 F CB 0.757 39.825 39.000 0.113 0.000 1.205 227 F HN 0.406 nan 8.300 nan 0.000 0.513 228 L N 2.114 123.312 121.223 -0.042 0.000 2.286 228 L HA 0.890 5.233 4.340 0.005 0.000 0.265 228 L C 0.553 177.409 176.870 -0.023 0.000 1.012 228 L CA -1.200 53.596 54.840 -0.072 0.000 0.818 228 L CB 1.364 43.272 42.059 -0.253 0.000 1.337 228 L HN 0.546 nan 8.230 nan 0.000 0.438 229 G N -1.016 107.786 108.800 0.003 0.000 2.471 229 G HA2 0.389 4.352 3.960 0.005 0.000 0.332 229 G HA3 0.389 4.352 3.960 0.005 0.000 0.332 229 G C -0.154 174.740 174.900 -0.010 0.000 1.176 229 G CA -0.302 44.817 45.100 0.033 0.000 0.949 229 G HN 0.752 nan 8.290 nan 0.000 0.488 230 D N -0.058 120.340 120.400 -0.003 0.000 2.194 230 D HA -0.041 4.602 4.640 0.005 0.000 0.204 230 D C 2.183 178.485 176.300 0.003 0.000 0.964 230 D CA 1.070 55.060 54.000 -0.017 0.000 0.846 230 D CB -0.764 40.028 40.800 -0.014 0.000 0.962 230 D HN 0.490 nan 8.370 nan 0.000 0.490 231 G N 0.668 109.481 108.800 0.022 0.000 2.418 231 G HA2 -0.330 3.634 3.960 0.005 0.000 0.217 231 G HA3 -0.330 3.634 3.960 0.005 0.000 0.217 231 G C 1.453 176.360 174.900 0.013 0.000 1.158 231 G CA 0.736 45.849 45.100 0.022 0.000 0.771 231 G HN 0.444 nan 8.290 nan 0.000 0.545 232 E N -0.201 120.007 120.200 0.012 0.000 2.209 232 E HA -0.139 4.214 4.350 0.005 0.000 0.196 232 E C 2.143 178.740 176.600 -0.005 0.000 0.993 232 E CA 0.728 57.130 56.400 0.003 0.000 0.819 232 E CB -0.108 29.595 29.700 0.004 0.000 0.745 232 E HN 0.261 nan 8.360 nan 0.000 0.477 233 M N 0.897 120.494 119.600 -0.006 0.000 2.706 233 M HA -0.083 4.400 4.480 0.005 0.000 0.251 233 M C 0.744 177.052 176.300 0.013 0.000 1.070 233 M CA 0.980 56.285 55.300 0.008 0.000 1.073 233 M CB -0.585 32.028 32.600 0.023 0.000 1.449 233 M HN 0.020 nan 8.290 nan 0.000 0.531 234 D N 0.285 120.689 120.400 0.007 0.000 2.323 234 D HA -0.013 4.631 4.640 0.005 0.000 0.209 234 D C 0.390 176.691 176.300 0.003 0.000 0.973 234 D CA 0.445 54.448 54.000 0.005 0.000 0.874 234 D CB 0.270 41.074 40.800 0.006 0.000 0.930 234 D HN 0.224 nan 8.370 nan 0.000 0.521 235 E N 0.948 121.150 120.200 0.004 0.000 2.366 235 E HA 0.010 4.363 4.350 0.005 0.000 0.266 235 E C -1.614 174.989 176.600 0.005 0.000 1.015 235 E CA -1.374 55.029 56.400 0.005 0.000 0.906 235 E CB 0.954 30.659 29.700 0.007 0.000 0.979 235 E HN 0.100 nan 8.360 nan 0.000 0.443 236 P HA -0.183 nan 4.420 nan 0.000 0.217 236 P C 0.656 177.961 177.300 0.008 0.000 1.148 236 P CA 1.259 64.358 63.100 -0.001 0.000 0.828 236 P CB 0.359 32.057 31.700 -0.004 0.000 0.783 237 E N -0.987 119.224 120.200 0.018 0.000 2.265 237 E HA -0.095 4.258 4.350 0.005 0.000 0.196 237 E C 2.035 178.668 176.600 0.055 0.000 0.996 237 E CA 1.031 57.453 56.400 0.037 0.000 0.832 237 E CB -0.764 28.959 29.700 0.038 0.000 0.756 237 E HN 0.209 nan 8.360 nan 0.000 0.491 238 S N 0.341 116.064 115.700 0.039 0.000 2.355 238 S HA -0.066 4.408 4.470 0.005 0.000 0.222 238 S C 1.501 176.159 174.600 0.096 0.000 1.031 238 S CA 1.169 59.400 58.200 0.052 0.000 0.993 238 S CB 0.019 63.231 63.200 0.020 0.000 0.859 238 S HN 0.180 nan 8.310 nan 0.000 0.453 239 K N 0.137 120.549 120.400 0.020 0.000 2.373 239 K HA 0.211 4.534 4.320 0.005 0.000 0.200 239 K C 1.893 178.433 176.600 -0.099 0.000 1.054 239 K CA 0.285 56.517 56.287 -0.092 0.000 1.065 239 K CB 0.254 32.648 32.500 -0.177 0.000 0.886 239 K HN 0.315 nan 8.250 nan 0.000 0.546 240 G N 1.261 110.046 108.800 -0.026 0.000 2.501 240 G HA2 -0.208 3.756 3.960 0.005 0.000 0.220 240 G HA3 -0.208 3.756 3.960 0.005 0.000 0.220 240 G C 1.052 175.958 174.900 0.009 0.000 1.114 240 G CA 1.062 46.153 45.100 -0.015 0.000 0.757 240 G HN 0.307 nan 8.290 nan 0.000 0.559 241 A N 0.025 122.869 122.820 0.040 0.000 2.624 241 A HA 0.410 4.733 4.320 0.005 0.000 0.287 241 A C 1.715 179.334 177.584 0.059 0.000 1.087 241 A CA 0.174 52.258 52.037 0.077 0.000 0.964 241 A CB -0.085 19.032 19.000 0.196 0.000 1.231 241 A HN 0.484 nan 8.150 nan 0.000 0.551 242 I N -3.451 117.119 120.570 -0.001 0.000 2.567 242 I HA -0.081 4.092 4.170 0.005 0.000 0.257 242 I C 1.669 177.958 176.117 0.287 0.000 1.184 242 I CA 1.830 63.182 61.300 0.087 0.000 1.451 242 I CB -0.664 36.998 38.000 -0.563 0.000 1.089 242 I HN 0.033 nan 8.210 nan 0.000 0.441 243 T N 1.530 116.128 114.554 0.072 0.000 2.881 243 T HA -0.019 4.334 4.350 0.005 0.000 0.270 243 T C 1.686 176.391 174.700 0.007 0.000 1.068 243 T CA 1.352 63.482 62.100 0.050 0.000 1.131 243 T CB -0.243 68.621 68.868 -0.007 0.000 0.871 243 T HN 0.253 nan 8.240 nan 0.000 0.479 244 I N 1.374 121.932 120.570 -0.019 0.000 2.546 244 I HA 0.030 4.203 4.170 0.005 0.000 0.255 244 I C 2.468 178.480 176.117 -0.176 0.000 1.163 244 I CA 0.296 61.540 61.300 -0.093 0.000 1.457 244 I CB -0.696 37.223 38.000 -0.136 0.000 1.092 244 I HN 0.143 nan 8.210 nan 0.000 0.434 245 A N -0.794 121.898 122.820 -0.212 0.000 2.015 245 A HA -0.151 4.172 4.320 0.005 0.000 0.219 245 A C 2.376 179.687 177.584 -0.454 0.000 1.163 245 A CA 2.158 53.934 52.037 -0.436 0.000 0.646 245 A CB -0.883 17.635 19.000 -0.803 0.000 0.806 245 A HN 0.394 nan 8.150 nan 0.000 0.448 246 T N -0.920 113.441 114.554 -0.322 0.000 2.894 246 T HA -0.016 4.337 4.350 0.005 0.000 0.258 246 T C 2.067 176.666 174.700 -0.169 0.000 1.043 246 T CA 0.890 62.840 62.100 -0.250 0.000 1.141 246 T CB -0.148 68.641 68.868 -0.131 0.000 0.873 246 T HN 0.463 nan 8.240 nan 0.000 0.449 247 R N 1.180 121.602 120.500 -0.130 0.000 2.096 247 R HA -0.062 4.281 4.340 0.005 0.000 0.240 247 R C 1.815 178.043 176.300 -0.120 0.000 1.139 247 R CA 1.155 57.193 56.100 -0.105 0.000 0.952 247 R CB -0.091 30.161 30.300 -0.080 0.000 0.854 247 R HN 0.355 nan 8.270 nan 0.000 0.436 248 E N 0.607 120.724 120.200 -0.139 0.000 2.465 248 E HA 0.018 4.371 4.350 0.005 0.000 0.191 248 E C -0.325 176.198 176.600 -0.129 0.000 1.053 248 E CA 0.016 56.345 56.400 -0.118 0.000 0.869 248 E CB 0.342 29.986 29.700 -0.092 0.000 0.977 248 E HN 0.235 nan 8.360 nan 0.000 0.483 249 K N 1.020 121.314 120.400 -0.175 0.000 3.451 249 K HA -0.177 4.147 4.320 0.005 0.000 0.273 249 K C -0.226 176.249 176.600 -0.209 0.000 0.944 249 K CA 0.218 56.392 56.287 -0.189 0.000 0.734 249 K CB -1.955 30.470 32.500 -0.125 0.000 1.437 249 K HN 0.198 nan 8.250 nan 0.000 0.454 250 L N 2.121 123.165 121.223 -0.298 0.000 2.376 250 L HA 0.024 4.367 4.340 0.005 0.000 0.250 250 L C 0.929 177.602 176.870 -0.327 0.000 1.335 250 L CA -0.213 54.450 54.840 -0.295 0.000 1.214 250 L CB -0.439 41.411 42.059 -0.348 0.000 1.395 250 L HN 0.266 nan 8.230 nan 0.000 0.424 251 D N -0.792 119.463 120.400 -0.241 0.000 2.332 251 D HA -0.106 4.537 4.640 0.005 0.000 0.244 251 D C 0.938 177.122 176.300 -0.193 0.000 1.136 251 D CA 0.044 53.910 54.000 -0.222 0.000 0.884 251 D CB -0.156 40.546 40.800 -0.164 0.000 0.906 251 D HN 0.437 nan 8.370 nan 0.000 0.520 252 N N 0.047 118.627 118.700 -0.199 0.000 2.235 252 N HA 0.103 4.846 4.740 0.005 0.000 0.231 252 N C -0.497 174.884 175.510 -0.215 0.000 1.177 252 N CA -0.500 52.446 53.050 -0.172 0.000 0.874 252 N CB 0.305 38.720 38.487 -0.120 0.000 1.097 252 N HN 0.192 nan 8.380 nan 0.000 0.518 253 L N 0.518 121.579 121.223 -0.271 0.000 2.356 253 L HA 0.642 4.985 4.340 0.005 0.000 0.277 253 L C -1.439 175.271 176.870 -0.266 0.000 0.996 253 L CA -0.821 53.856 54.840 -0.272 0.000 0.822 253 L CB 2.146 44.008 42.059 -0.328 0.000 1.256 253 L HN -0.119 nan 8.230 nan 0.000 0.413 254 V N 5.545 125.349 119.914 -0.184 0.000 2.482 254 V HA 0.443 4.567 4.120 0.005 0.000 0.295 254 V C -0.763 175.425 176.094 0.158 0.000 1.026 254 V CA -0.471 61.771 62.300 -0.097 0.000 0.856 254 V CB 1.422 33.102 31.823 -0.239 0.000 1.001 254 V HN 0.486 nan 8.190 nan 0.000 0.424 255 F N 4.043 123.969 119.950 -0.039 0.000 2.411 255 F HA 0.559 5.090 4.527 0.005 0.000 0.350 255 F C 0.259 175.873 175.800 -0.310 0.000 1.114 255 F CA -1.045 56.875 58.000 -0.134 0.000 1.135 255 F CB 1.863 40.767 39.000 -0.160 0.000 1.120 255 F HN 0.183 nan 8.300 nan 0.000 0.495 256 V N 6.641 126.374 119.914 -0.302 0.000 2.305 256 V HA 0.328 4.452 4.120 0.005 0.000 0.275 256 V C 0.116 175.983 176.094 -0.379 0.000 1.020 256 V CA -0.595 61.426 62.300 -0.465 0.000 0.811 256 V CB 0.854 32.149 31.823 -0.879 0.000 1.031 256 V HN 0.448 nan 8.190 nan 0.000 0.439 257 I N 3.757 124.141 120.570 -0.311 0.000 2.342 257 I HA 0.315 4.488 4.170 0.005 0.000 0.291 257 I C 0.375 176.387 176.117 -0.175 0.000 1.010 257 I CA -0.293 60.862 61.300 -0.241 0.000 1.308 257 I CB 1.126 38.964 38.000 -0.271 0.000 1.400 257 I HN 0.450 nan 8.210 nan 0.000 0.488 258 N N 6.272 124.915 118.700 -0.096 0.000 2.402 258 N HA 0.126 4.870 4.740 0.005 0.000 0.252 258 N C -0.867 174.612 175.510 -0.052 0.000 1.118 258 N CA -0.310 52.705 53.050 -0.059 0.000 0.945 258 N CB 0.524 39.021 38.487 0.016 0.000 1.147 258 N HN 0.545 nan 8.380 nan 0.000 0.495 259 C N 4.172 123.427 119.300 -0.076 0.000 2.379 259 C HA 0.218 4.681 4.460 0.005 0.000 0.476 259 C C 1.238 176.242 174.990 0.024 0.000 1.068 259 C CA -0.895 58.100 59.018 -0.038 0.000 1.406 259 C CB -1.886 25.802 27.740 -0.087 0.000 1.496 259 C HN 0.702 nan 8.230 nan 0.000 0.551 260 N N 0.979 119.696 118.700 0.027 0.000 2.322 260 N HA 0.084 4.827 4.740 0.005 0.000 0.194 260 N C 0.813 176.369 175.510 0.077 0.000 1.126 260 N CA -0.146 52.930 53.050 0.044 0.000 0.845 260 N CB -0.413 38.113 38.487 0.065 0.000 0.976 260 N HN 0.646 nan 8.380 nan 0.000 0.475 261 L N -2.319 118.950 121.223 0.076 0.000 4.937 261 L HA -0.306 4.037 4.340 0.005 0.000 0.422 261 L C -0.795 176.118 176.870 0.072 0.000 1.059 261 L CA 1.108 55.997 54.840 0.081 0.000 1.111 261 L CB -2.340 39.788 42.059 0.116 0.000 2.033 261 L HN 0.567 nan 8.230 nan 0.000 0.708 262 Q N -0.989 118.854 119.800 0.072 0.000 2.379 262 Q HA 0.782 5.125 4.340 0.005 0.000 0.278 262 Q C -0.240 175.802 176.000 0.070 0.000 1.068 262 Q CA -1.178 54.667 55.803 0.070 0.000 0.816 262 Q CB 2.235 31.020 28.738 0.079 0.000 1.387 262 Q HN 0.115 nan 8.270 nan 0.000 0.413 263 R N 0.238 120.773 120.500 0.058 0.000 1.664 263 R HA 0.308 4.651 4.340 0.005 0.000 0.112 263 R C 1.029 177.364 176.300 0.059 0.000 0.720 263 R CA -0.544 55.587 56.100 0.051 0.000 1.864 263 R CB -0.142 30.179 30.300 0.034 0.000 1.040 263 R HN 0.493 nan 8.270 nan 0.000 0.700 264 L N 0.542 121.792 121.223 0.044 0.000 2.189 264 L HA 0.076 4.419 4.340 0.005 0.000 0.199 264 L C 0.630 177.532 176.870 0.054 0.000 1.074 264 L CA 1.830 56.702 54.840 0.053 0.000 0.783 264 L CB -0.446 41.634 42.059 0.036 0.000 0.955 264 L HN 0.516 nan 8.230 nan 0.000 0.460 265 D N 0.192 120.617 120.400 0.041 0.000 2.460 265 D HA 0.333 4.976 4.640 0.005 0.000 0.229 265 D C 0.488 176.809 176.300 0.036 0.000 1.170 265 D CA 0.562 54.584 54.000 0.037 0.000 0.827 265 D CB 0.786 41.602 40.800 0.028 0.000 0.973 265 D HN 0.488 nan 8.370 nan 0.000 0.496 266 G N 1.353 110.178 108.800 0.042 0.000 2.359 266 G HA2 0.005 3.968 3.960 0.005 0.000 0.293 266 G HA3 0.005 3.968 3.960 0.005 0.000 0.293 266 G C -3.106 171.821 174.900 0.044 0.000 1.300 266 G CA -0.942 44.182 45.100 0.040 0.000 0.888 266 G HN -0.205 nan 8.290 nan 0.000 0.541 267 P HA 0.356 nan 4.420 nan 0.000 0.274 267 P C 1.191 178.514 177.300 0.039 0.000 1.231 267 P CA -0.212 62.916 63.100 0.046 0.000 0.790 267 P CB 1.530 33.257 31.700 0.044 0.000 0.951 268 V N 1.034 120.972 119.914 0.040 0.000 2.307 268 V HA -0.103 4.020 4.120 0.005 0.000 0.245 268 V C 1.360 177.470 176.094 0.027 0.000 1.045 268 V CA 2.642 64.961 62.300 0.031 0.000 1.024 268 V CB -1.286 30.554 31.823 0.029 0.000 0.651 268 V HN 0.844 nan 8.190 nan 0.000 0.449 269 T N -2.963 111.609 114.554 0.031 0.000 3.201 269 T HA 0.461 4.814 4.350 0.005 0.000 0.338 269 T C 0.873 175.592 174.700 0.030 0.000 1.095 269 T CA 0.124 62.240 62.100 0.026 0.000 1.426 269 T CB 0.726 69.607 68.868 0.023 0.000 0.956 269 T HN 0.265 nan 8.240 nan 0.000 0.551 270 G N 2.481 111.297 108.800 0.027 0.000 2.469 270 G HA2 -0.206 3.757 3.960 0.005 0.000 0.219 270 G HA3 -0.206 3.757 3.960 0.005 0.000 0.219 270 G C 1.254 176.165 174.900 0.018 0.000 1.150 270 G CA 0.393 45.507 45.100 0.024 0.000 0.763 270 G HN 0.627 nan 8.290 nan 0.000 0.561 271 N N 1.300 120.008 118.700 0.013 0.000 2.362 271 N HA 0.177 4.920 4.740 0.005 0.000 0.204 271 N C 0.810 176.327 175.510 0.010 0.000 1.166 271 N CA 0.643 53.698 53.050 0.008 0.000 0.831 271 N CB 0.771 39.261 38.487 0.006 0.000 1.008 271 N HN 0.390 nan 8.380 nan 0.000 0.472 272 G N -0.285 108.525 108.800 0.018 0.000 3.166 272 G HA2 0.563 4.526 3.960 0.005 0.000 0.267 272 G HA3 0.563 4.526 3.960 0.005 0.000 0.267 272 G C -1.170 173.746 174.900 0.028 0.000 1.256 272 G CA -0.483 44.627 45.100 0.018 0.000 0.859 272 G HN -0.013 nan 8.290 nan 0.000 0.590 273 K N 0.763 121.180 120.400 0.028 0.000 2.723 273 K HA 0.227 4.550 4.320 0.005 0.000 0.229 273 K C 0.660 177.288 176.600 0.047 0.000 1.022 273 K CA -0.408 55.906 56.287 0.043 0.000 1.045 273 K CB 1.493 34.003 32.500 0.017 0.000 1.227 273 K HN 0.411 nan 8.250 nan 0.000 0.516 274 I N -0.461 120.133 120.570 0.039 0.000 2.567 274 I HA -0.212 3.962 4.170 0.005 0.000 0.257 274 I C 1.574 177.692 176.117 0.002 0.000 1.184 274 I CA 1.258 62.569 61.300 0.019 0.000 1.451 274 I CB -0.513 37.494 38.000 0.012 0.000 1.089 274 I HN 0.508 nan 8.210 nan 0.000 0.441 275 I N 1.029 121.599 120.570 0.000 0.000 2.315 275 I HA -0.214 3.959 4.170 0.005 0.000 0.248 275 I C 2.162 178.265 176.117 -0.023 0.000 1.117 275 I CA 1.241 62.502 61.300 -0.064 0.000 1.404 275 I CB -0.479 37.421 38.000 -0.167 0.000 1.071 275 I HN 0.275 nan 8.210 nan 0.000 0.419 276 N N 0.652 119.385 118.700 0.055 0.000 2.171 276 N HA -0.204 4.539 4.740 0.005 0.000 0.184 276 N C 1.714 177.240 175.510 0.028 0.000 1.021 276 N CA 1.230 54.313 53.050 0.054 0.000 0.854 276 N CB -0.222 38.314 38.487 0.081 0.000 0.994 276 N HN 0.439 nan 8.380 nan 0.000 0.426 277 E N 0.285 120.500 120.200 0.026 0.000 2.038 277 E HA -0.168 4.185 4.350 0.005 0.000 0.195 277 E C 1.607 178.228 176.600 0.034 0.000 1.000 277 E CA 0.927 57.340 56.400 0.021 0.000 0.803 277 E CB -0.165 29.546 29.700 0.018 0.000 0.750 277 E HN 0.018 nan 8.360 nan 0.000 0.448 278 L N 1.777 123.021 121.223 0.034 0.000 1.989 278 L HA -0.202 4.141 4.340 0.005 0.000 0.211 278 L C 2.520 179.455 176.870 0.107 0.000 1.071 278 L CA 2.364 57.253 54.840 0.082 0.000 0.749 278 L CB -1.274 40.766 42.059 -0.032 0.000 0.890 278 L HN 0.384 nan 8.230 nan 0.000 0.431 279 E N -1.000 119.206 120.200 0.010 0.000 2.070 279 E HA -0.221 4.132 4.350 0.005 0.000 0.197 279 E C 2.126 178.752 176.600 0.043 0.000 1.004 279 E CA 1.364 57.766 56.400 0.005 0.000 0.805 279 E CB -0.386 29.296 29.700 -0.030 0.000 0.744 279 E HN 0.498 nan 8.360 nan 0.000 0.451 280 G N 1.514 110.332 108.800 0.030 0.000 2.446 280 G HA2 -0.293 3.670 3.960 0.005 0.000 0.217 280 G HA3 -0.293 3.670 3.960 0.005 0.000 0.217 280 G C 1.630 176.531 174.900 0.002 0.000 1.168 280 G CA 0.920 46.030 45.100 0.016 0.000 0.771 280 G HN 0.419 nan 8.290 nan 0.000 0.551 281 I N -1.232 119.333 120.570 -0.010 0.000 2.353 281 I HA 0.043 4.216 4.170 0.005 0.000 0.248 281 I C 2.351 178.345 176.117 -0.206 0.000 1.119 281 I CA 0.773 62.011 61.300 -0.104 0.000 1.417 281 I CB 0.031 37.942 38.000 -0.147 0.000 1.078 281 I HN 0.148 nan 8.210 nan 0.000 0.421 282 F N 1.270 121.101 119.950 -0.198 0.000 2.163 282 F HA -0.192 4.339 4.527 0.005 0.000 0.297 282 F C 2.507 178.243 175.800 -0.108 0.000 1.094 282 F CA 1.754 59.570 58.000 -0.307 0.000 1.290 282 F CB -0.433 38.326 39.000 -0.401 0.000 1.017 282 F HN 0.130 nan 8.300 nan 0.000 0.483 283 E N 0.280 120.547 120.200 0.113 0.000 2.077 283 E HA -0.109 4.245 4.350 0.005 0.000 0.193 283 E C 2.398 179.028 176.600 0.050 0.000 0.989 283 E CA 1.578 58.031 56.400 0.089 0.000 0.800 283 E CB -0.898 28.833 29.700 0.050 0.000 0.746 283 E HN 0.253 nan 8.360 nan 0.000 0.452 284 G N -0.082 108.722 108.800 0.007 0.000 2.470 284 G HA2 -0.164 3.800 3.960 0.005 0.000 0.220 284 G HA3 -0.164 3.800 3.960 0.005 0.000 0.220 284 G C 1.478 176.369 174.900 -0.016 0.000 1.121 284 G CA 0.643 45.735 45.100 -0.014 0.000 0.766 284 G HN 0.436 nan 8.290 nan 0.000 0.553 285 A N -0.454 122.352 122.820 -0.024 0.000 2.251 285 A HA 0.490 4.813 4.320 0.005 0.000 0.209 285 A C 1.943 179.619 177.584 0.154 0.000 1.187 285 A CA 1.178 53.223 52.037 0.014 0.000 0.823 285 A CB -0.372 18.562 19.000 -0.110 0.000 0.846 285 A HN 1.506 nan 8.150 nan 0.000 0.486 286 G N -2.593 106.290 108.800 0.137 0.000 2.157 286 G HA2 -0.256 3.707 3.960 0.005 0.000 0.248 286 G HA3 -0.256 3.707 3.960 0.005 0.000 0.248 286 G C -0.107 174.887 174.900 0.157 0.000 0.979 286 G CA 0.100 45.264 45.100 0.107 0.000 0.650 286 G HN 0.370 nan 8.290 nan 0.000 0.529 287 W N 0.515 121.788 121.300 -0.044 0.000 2.183 287 W HA 0.613 5.277 4.660 0.006 0.000 0.348 287 W C 0.575 177.068 176.519 -0.043 0.000 1.257 287 W CA -0.639 56.684 57.345 -0.036 0.000 1.324 287 W CB 0.384 29.882 29.460 0.063 0.000 1.144 287 W HN 0.191 nan 8.180 nan 0.000 0.622 288 N N 1.346 120.143 118.700 0.162 0.000 2.420 288 N HA 0.318 5.061 4.740 0.005 0.000 0.249 288 N C -1.561 173.980 175.510 0.052 0.000 1.033 288 N CA -0.379 52.700 53.050 0.050 0.000 0.944 288 N CB 0.842 39.309 38.487 -0.033 0.000 1.113 288 N HN 0.280 nan 8.380 nan 0.000 0.502 289 V N 3.825 123.748 119.914 0.017 0.000 2.435 289 V HA 0.625 4.748 4.120 0.005 0.000 0.290 289 V C -0.442 175.589 176.094 -0.105 0.000 1.030 289 V CA -0.671 61.596 62.300 -0.055 0.000 0.881 289 V CB 0.655 32.444 31.823 -0.057 0.000 0.983 289 V HN 0.549 nan 8.190 nan 0.000 0.445 290 I N 6.149 126.621 120.570 -0.164 0.000 2.389 290 I HA 0.503 4.676 4.170 0.005 0.000 0.288 290 I C 0.032 176.013 176.117 -0.227 0.000 0.999 290 I CA -0.647 60.543 61.300 -0.184 0.000 1.129 290 I CB 1.735 39.606 38.000 -0.215 0.000 1.288 290 I HN 0.575 nan 8.210 nan 0.000 0.444 291 K N 5.852 126.123 120.400 -0.216 0.000 2.213 291 K HA 0.513 4.837 4.320 0.005 0.000 0.270 291 K C -0.868 175.565 176.600 -0.279 0.000 1.002 291 K CA -0.659 55.462 56.287 -0.276 0.000 0.868 291 K CB 2.536 34.856 32.500 -0.299 0.000 1.093 291 K HN 0.307 nan 8.250 nan 0.000 0.454 292 V N 5.436 125.165 119.914 -0.309 0.000 2.239 292 V HA 0.084 4.208 4.120 0.005 0.000 0.267 292 V C 0.792 176.662 176.094 -0.373 0.000 1.056 292 V CA -0.342 61.797 62.300 -0.268 0.000 0.830 292 V CB 0.672 32.368 31.823 -0.211 0.000 1.090 292 V HN 0.784 nan 8.190 nan 0.000 0.459 293 M N 1.434 120.718 119.600 -0.527 0.000 2.384 293 M HA 0.232 4.715 4.480 0.005 0.000 0.258 293 M C 0.319 175.969 176.300 -1.084 0.000 1.130 293 M CA 1.217 55.910 55.300 -1.012 0.000 1.187 293 M CB -0.079 31.674 32.600 -1.411 0.000 1.307 293 M HN 0.514 nan 8.290 nan 0.000 0.468 294 W N -0.116 121.074 121.300 -0.183 0.000 2.761 294 W HA 0.630 5.293 4.660 0.005 0.000 0.340 294 W C 0.660 177.223 176.519 0.072 0.000 1.072 294 W CA -1.225 55.997 57.345 -0.204 0.000 1.215 294 W CB 0.598 29.716 29.460 -0.570 0.000 1.420 294 W HN 0.145 nan 8.180 nan 0.000 0.519 295 G N 0.217 109.349 108.800 0.552 0.000 2.683 295 G HA2 0.153 4.116 3.960 0.005 0.000 0.260 295 G HA3 0.153 4.116 3.960 0.005 0.000 0.260 295 G C 0.643 175.824 174.900 0.468 0.000 1.238 295 G CA -0.434 44.932 45.100 0.444 0.000 0.934 295 G HN 0.528 nan 8.290 nan 0.000 0.534 296 S N -0.290 115.593 115.700 0.305 0.000 2.447 296 S HA -0.091 4.382 4.470 0.005 0.000 0.233 296 S C 2.348 177.102 174.600 0.258 0.000 1.006 296 S CA 0.678 59.028 58.200 0.249 0.000 0.957 296 S CB -0.125 63.168 63.200 0.155 0.000 0.773 296 S HN 0.564 nan 8.310 nan 0.000 0.507 297 R N -0.118 120.536 120.500 0.256 0.000 2.189 297 R HA -0.062 4.281 4.340 0.005 0.000 0.223 297 R C 1.402 177.814 176.300 0.186 0.000 1.092 297 R CA 0.969 57.171 56.100 0.170 0.000 0.989 297 R CB -0.395 29.956 30.300 0.086 0.000 0.876 297 R HN 0.504 nan 8.270 nan 0.000 0.457 298 W N 1.709 123.141 121.300 0.221 0.000 2.518 298 W HA -0.005 4.658 4.660 0.005 0.000 0.273 298 W C 1.597 178.204 176.519 0.146 0.000 1.247 298 W CA 0.259 57.700 57.345 0.161 0.000 1.288 298 W CB -0.105 29.428 29.460 0.122 0.000 1.107 298 W HN 0.015 nan 8.180 nan 0.000 0.586 299 D N 0.810 121.431 120.400 0.368 0.000 2.126 299 D HA -0.280 4.363 4.640 0.005 0.000 0.190 299 D C 1.871 178.293 176.300 0.204 0.000 1.001 299 D CA 2.285 56.439 54.000 0.256 0.000 0.841 299 D CB -0.749 40.174 40.800 0.205 0.000 0.949 299 D HN 0.431 nan 8.370 nan 0.000 0.446 300 E N 0.447 120.763 120.200 0.193 0.000 2.051 300 E HA -0.178 4.175 4.350 0.005 0.000 0.192 300 E C 2.074 178.771 176.600 0.161 0.000 0.991 300 E CA 0.838 57.337 56.400 0.165 0.000 0.799 300 E CB -0.553 29.250 29.700 0.173 0.000 0.748 300 E HN 0.062 nan 8.360 nan 0.000 0.449 301 L N 0.637 121.964 121.223 0.173 0.000 2.013 301 L HA -0.126 4.217 4.340 0.005 0.000 0.212 301 L C 2.530 179.479 176.870 0.131 0.000 1.073 301 L CA 1.676 56.575 54.840 0.099 0.000 0.753 301 L CB -0.871 41.200 42.059 0.021 0.000 0.890 301 L HN 0.319 nan 8.230 nan 0.000 0.432 302 L N -1.171 120.164 121.223 0.186 0.000 2.141 302 L HA -0.202 4.141 4.340 0.005 0.000 0.209 302 L C 2.662 179.604 176.870 0.121 0.000 1.094 302 L CA 1.170 56.108 54.840 0.163 0.000 0.763 302 L CB -0.340 41.834 42.059 0.193 0.000 0.908 302 L HN 0.299 nan 8.230 nan 0.000 0.437 303 R N 1.550 122.122 120.500 0.120 0.000 2.090 303 R HA -0.162 4.182 4.340 0.005 0.000 0.228 303 R C 2.104 178.449 176.300 0.075 0.000 1.110 303 R CA 1.577 57.734 56.100 0.094 0.000 0.973 303 R CB -0.222 30.136 30.300 0.096 0.000 0.869 303 R HN 0.368 nan 8.270 nan 0.000 0.440 304 K N -0.375 120.071 120.400 0.076 0.000 2.426 304 K HA -0.016 4.308 4.320 0.005 0.000 0.193 304 K C -0.280 176.347 176.600 0.045 0.000 1.028 304 K CA 0.627 56.950 56.287 0.058 0.000 1.047 304 K CB 0.115 32.653 32.500 0.063 0.000 0.821 304 K HN 0.066 nan 8.250 nan 0.000 0.513 305 D N 2.527 122.957 120.400 0.051 0.000 2.483 305 D HA -0.011 4.632 4.640 0.005 0.000 0.220 305 D C 0.721 177.039 176.300 0.030 0.000 1.173 305 D CA -0.074 53.949 54.000 0.038 0.000 0.964 305 D CB 1.009 41.841 40.800 0.052 0.000 1.046 305 D HN 0.289 nan 8.370 nan 0.000 0.517 306 T N -0.967 113.600 114.554 0.020 0.000 3.113 306 T HA -0.100 4.254 4.350 0.005 0.000 0.256 306 T C 1.706 176.407 174.700 0.002 0.000 1.131 306 T CA 0.672 62.780 62.100 0.015 0.000 1.074 306 T CB -0.169 68.707 68.868 0.014 0.000 0.944 306 T HN 0.220 nan 8.240 nan 0.000 0.516 307 S N 0.612 116.307 115.700 -0.008 0.000 2.470 307 S HA 0.378 4.851 4.470 0.005 0.000 0.225 307 S C 2.082 176.658 174.600 -0.041 0.000 1.006 307 S CA 0.413 58.596 58.200 -0.029 0.000 0.934 307 S CB -0.742 62.433 63.200 -0.043 0.000 0.778 307 S HN 1.170 nan 8.310 nan 0.000 0.517 308 G N 1.409 110.193 108.800 -0.026 0.000 2.159 308 G HA2 -0.268 3.695 3.960 0.005 0.000 0.256 308 G HA3 -0.268 3.695 3.960 0.005 0.000 0.256 308 G C 0.936 175.799 174.900 -0.062 0.000 0.977 308 G CA 0.486 45.571 45.100 -0.026 0.000 0.652 308 G HN 0.371 nan 8.290 nan 0.000 0.531 309 K N -0.399 119.943 120.400 -0.097 0.000 2.103 309 K HA 0.194 4.518 4.320 0.005 0.000 0.204 309 K C 2.491 179.027 176.600 -0.106 0.000 1.052 309 K CA 1.325 57.499 56.287 -0.188 0.000 0.945 309 K CB -0.373 31.990 32.500 -0.228 0.000 0.722 309 K HN 0.494 nan 8.250 nan 0.000 0.443 310 L N 1.371 122.581 121.223 -0.021 0.000 2.046 310 L HA -0.093 4.251 4.340 0.005 0.000 0.208 310 L C 2.033 178.928 176.870 0.043 0.000 1.077 310 L CA 1.425 56.279 54.840 0.023 0.000 0.747 310 L CB -0.384 41.739 42.059 0.107 0.000 0.896 310 L HN 0.075 nan 8.230 nan 0.000 0.432 311 I N -0.940 119.663 120.570 0.056 0.000 2.202 311 I HA -0.309 3.864 4.170 0.005 0.000 0.242 311 I C 2.593 178.761 176.117 0.085 0.000 1.091 311 I CA 1.529 62.888 61.300 0.099 0.000 1.368 311 I CB -0.287 37.765 38.000 0.087 0.000 1.058 311 I HN 0.466 nan 8.210 nan 0.000 0.410 312 Q N 0.861 120.669 119.800 0.014 0.000 2.096 312 Q HA -0.272 4.072 4.340 0.005 0.000 0.204 312 Q C 2.308 178.333 176.000 0.042 0.000 0.982 312 Q CA 1.843 57.644 55.803 -0.004 0.000 0.850 312 Q CB -0.126 28.548 28.738 -0.107 0.000 0.901 312 Q HN 0.447 nan 8.270 nan 0.000 0.422 313 L N 0.283 121.527 121.223 0.036 0.000 2.017 313 L HA -0.143 4.200 4.340 0.005 0.000 0.208 313 L C 2.295 179.218 176.870 0.089 0.000 1.073 313 L CA 1.810 56.673 54.840 0.038 0.000 0.745 313 L CB -0.391 41.560 42.059 -0.180 0.000 0.894 313 L HN 0.304 nan 8.230 nan 0.000 0.432 314 M N -0.395 119.325 119.600 0.200 0.000 2.108 314 M HA -0.224 4.259 4.480 0.005 0.000 0.261 314 M C 1.936 178.413 176.300 0.295 0.000 1.066 314 M CA 1.799 57.393 55.300 0.489 0.000 1.107 314 M CB -0.525 32.396 32.600 0.534 0.000 1.356 314 M HN 0.342 nan 8.290 nan 0.000 0.406 315 N N 0.465 119.276 118.700 0.185 0.000 2.166 315 N HA -0.178 4.565 4.740 0.005 0.000 0.186 315 N C 1.499 177.008 175.510 -0.002 0.000 1.019 315 N CA 1.609 54.704 53.050 0.075 0.000 0.856 315 N CB -0.394 38.151 38.487 0.097 0.000 0.993 315 N HN 0.595 nan 8.380 nan 0.000 0.426 316 E N -0.321 119.902 120.200 0.037 0.000 2.371 316 E HA -0.005 4.348 4.350 0.005 0.000 0.194 316 E C -0.239 176.360 176.600 -0.002 0.000 1.012 316 E CA 0.376 56.789 56.400 0.022 0.000 0.860 316 E CB -0.234 29.497 29.700 0.052 0.000 0.811 316 E HN -0.036 nan 8.360 nan 0.000 0.502 317 T N 2.928 117.480 114.554 -0.002 0.000 2.870 317 T HA 0.243 4.596 4.350 0.005 0.000 0.300 317 T C 0.368 175.032 174.700 -0.061 0.000 0.989 317 T CA -0.247 61.794 62.100 -0.099 0.000 1.139 317 T CB 1.397 70.058 68.868 -0.345 0.000 0.920 317 T HN 0.189 nan 8.240 nan 0.000 0.537 318 V N 0.950 120.827 119.914 -0.061 0.000 3.170 318 V HA 0.338 4.461 4.120 0.005 0.000 0.309 318 V C 1.027 177.188 176.094 0.113 0.000 1.071 318 V CA -0.729 61.581 62.300 0.016 0.000 1.063 318 V CB 0.726 32.546 31.823 -0.005 0.000 1.123 318 V HN 0.620 nan 8.190 nan 0.000 0.464 319 D N 2.370 122.857 120.400 0.145 0.000 2.149 319 D HA -0.087 4.556 4.640 0.005 0.000 0.198 319 D C 2.105 178.475 176.300 0.116 0.000 0.990 319 D CA 2.056 56.174 54.000 0.195 0.000 0.839 319 D CB -0.616 40.257 40.800 0.122 0.000 0.948 319 D HN 0.861 nan 8.370 nan 0.000 0.460 320 G N 0.945 109.763 108.800 0.029 0.000 2.446 320 G HA2 -0.261 3.703 3.960 0.005 0.000 0.217 320 G HA3 -0.261 3.703 3.960 0.005 0.000 0.217 320 G C 1.318 176.146 174.900 -0.119 0.000 1.168 320 G CA 0.942 46.028 45.100 -0.023 0.000 0.771 320 G HN 0.175 nan 8.290 nan 0.000 0.551 321 D N -0.474 119.793 120.400 -0.221 0.000 2.183 321 D HA -0.047 4.597 4.640 0.005 0.000 0.203 321 D C 2.079 177.794 176.300 -0.974 0.000 0.969 321 D CA 0.558 54.233 54.000 -0.541 0.000 0.842 321 D CB -0.216 40.295 40.800 -0.481 0.000 0.957 321 D HN 0.356 nan 8.370 nan 0.000 0.484 322 Y N 1.637 121.673 120.300 -0.440 0.000 2.145 322 Y HA -0.152 4.402 4.550 0.006 0.000 0.286 322 Y C 2.582 178.412 175.900 -0.118 0.000 1.145 322 Y CA 1.014 58.996 58.100 -0.198 0.000 1.148 322 Y CB -0.258 38.285 38.460 0.139 0.000 0.981 322 Y HN -0.067 nan 8.280 nan 0.000 0.507 323 Q N -0.738 119.109 119.800 0.079 0.000 2.124 323 Q HA -0.148 4.195 4.340 0.005 0.000 0.202 323 Q C 2.223 178.230 176.000 0.012 0.000 0.977 323 Q CA 1.842 57.689 55.803 0.075 0.000 0.850 323 Q CB -0.887 27.887 28.738 0.061 0.000 0.901 323 Q HN 0.434 nan 8.270 nan 0.000 0.429 324 T N 1.138 115.613 114.554 -0.132 0.000 2.788 324 T HA -0.099 4.254 4.350 0.005 0.000 0.268 324 T C 1.439 176.117 174.700 -0.037 0.000 1.044 324 T CA 0.875 62.889 62.100 -0.144 0.000 1.139 324 T CB -0.227 68.507 68.868 -0.223 0.000 0.867 324 T HN 0.129 nan 8.240 nan 0.000 0.454 325 F N 2.376 122.385 119.950 0.098 0.000 2.171 325 F HA -0.025 4.504 4.527 0.004 0.000 0.300 325 F C 2.249 178.227 175.800 0.296 0.000 1.090 325 F CA 0.604 58.718 58.000 0.189 0.000 1.293 325 F CB -0.746 38.389 39.000 0.225 0.000 1.013 325 F HN 0.279 nan 8.300 nan 0.000 0.486 326 K N 0.289 120.926 120.400 0.395 0.000 2.486 326 K HA -0.010 4.313 4.320 0.005 0.000 0.194 326 K C 1.323 178.160 176.600 0.395 0.000 1.033 326 K CA 1.312 57.798 56.287 0.333 0.000 1.004 326 K CB -0.504 32.106 32.500 0.183 0.000 0.798 326 K HN 0.323 nan 8.250 nan 0.000 0.495 327 S N -0.620 115.236 115.700 0.260 0.000 2.540 327 S HA 0.179 4.653 4.470 0.005 0.000 0.218 327 S C 0.796 175.429 174.600 0.056 0.000 0.977 327 S CA -0.577 57.709 58.200 0.142 0.000 0.918 327 S CB 0.214 63.436 63.200 0.036 0.000 0.806 327 S HN 0.085 nan 8.310 nan 0.000 0.496 328 K N 1.875 122.314 120.400 0.064 0.000 3.283 328 K HA 0.473 4.796 4.320 0.005 0.000 0.249 328 K C -0.344 175.912 176.600 -0.573 0.000 1.008 328 K CA -0.094 56.063 56.287 -0.217 0.000 1.687 328 K CB -0.273 31.953 32.500 -0.456 0.000 2.788 328 K HN 0.488 nan 8.250 nan 0.000 0.849 329 D N -2.901 117.086 120.400 -0.689 0.000 2.752 329 D HA 0.225 4.868 4.640 0.005 0.000 0.313 329 D C 0.968 176.997 176.300 -0.451 0.000 1.225 329 D CA -0.482 52.740 54.000 -1.296 0.000 0.976 329 D CB -0.011 40.391 40.800 -0.662 0.000 1.443 329 D HN 0.362 nan 8.370 nan 0.000 0.515 330 G N -0.220 108.446 108.800 -0.223 0.000 2.418 330 G HA2 -0.087 3.877 3.960 0.005 0.000 0.217 330 G HA3 -0.087 3.877 3.960 0.005 0.000 0.217 330 G C 1.383 176.403 174.900 0.200 0.000 1.158 330 G CA 1.835 47.087 45.100 0.253 0.000 0.771 330 G HN 0.690 nan 8.290 nan 0.000 0.545 331 A N 0.149 123.029 122.820 0.101 0.000 1.883 331 A HA -0.121 4.202 4.320 0.005 0.000 0.217 331 A C 2.215 179.912 177.584 0.188 0.000 1.186 331 A CA 1.860 53.965 52.037 0.113 0.000 0.624 331 A CB -0.854 18.186 19.000 0.068 0.000 0.822 331 A HN 0.460 nan 8.150 nan 0.000 0.444 332 Y N 0.628 121.001 120.300 0.122 0.000 2.081 332 Y HA -0.239 4.313 4.550 0.003 0.000 0.280 332 Y C 2.485 178.579 175.900 0.325 0.000 1.163 332 Y CA 2.165 60.420 58.100 0.257 0.000 1.135 332 Y CB -0.474 38.087 38.460 0.168 0.000 0.970 332 Y HN 0.071 nan 8.280 nan 0.000 0.498 333 V N 1.069 121.281 119.914 0.496 0.000 2.332 333 V HA -0.332 3.791 4.120 0.005 0.000 0.248 333 V C 2.553 178.815 176.094 0.280 0.000 1.055 333 V CA 2.294 64.760 62.300 0.276 0.000 1.038 333 V CB -0.771 31.242 31.823 0.317 0.000 0.651 333 V HN 0.391 nan 8.190 nan 0.000 0.450 334 R N -0.081 120.598 120.500 0.298 0.000 2.127 334 R HA -0.230 4.113 4.340 0.005 0.000 0.238 334 R C 2.306 178.676 176.300 0.116 0.000 1.134 334 R CA 2.169 58.415 56.100 0.244 0.000 0.975 334 R CB -0.098 30.271 30.300 0.115 0.000 0.865 334 R HN 0.725 nan 8.270 nan 0.000 0.447 335 E N -1.149 119.057 120.200 0.010 0.000 2.075 335 E HA -0.127 4.227 4.350 0.005 0.000 0.190 335 E C 1.377 177.789 176.600 -0.313 0.000 0.969 335 E CA 0.738 57.021 56.400 -0.194 0.000 0.815 335 E CB 0.088 29.587 29.700 -0.335 0.000 0.776 335 E HN 0.511 nan 8.360 nan 0.000 0.457 336 H N -1.568 117.411 119.070 -0.150 0.000 2.497 336 H HA 0.091 4.650 4.556 0.004 0.000 0.282 336 H C 1.090 176.410 175.328 -0.012 0.000 1.003 336 H CA 1.163 57.157 56.048 -0.090 0.000 1.307 336 H CB 0.228 29.939 29.762 -0.084 0.000 1.437 336 H HN 0.178 nan 8.280 nan 0.000 0.544 337 F N -0.637 119.167 119.950 -0.243 0.000 2.387 337 F HA 0.097 4.627 4.527 0.004 0.000 0.278 337 F C 1.267 176.848 175.800 -0.364 0.000 1.010 337 F CA 0.400 58.127 58.000 -0.455 0.000 1.236 337 F CB -0.426 37.980 39.000 -0.992 0.000 1.137 337 F HN -0.060 nan 8.300 nan 0.000 0.604 338 F N 0.855 120.749 119.950 -0.093 0.000 2.325 338 F HA 0.117 4.647 4.527 0.005 0.000 0.299 338 F C 2.572 178.265 175.800 -0.178 0.000 1.090 338 F CA 1.155 59.043 58.000 -0.186 0.000 1.392 338 F CB -1.254 37.693 39.000 -0.089 0.000 1.053 338 F HN 0.120 nan 8.300 nan 0.000 0.521 339 G N -0.827 107.972 108.800 -0.001 0.000 2.776 339 G HA2 -0.164 3.799 3.960 0.005 0.000 0.209 339 G HA3 -0.164 3.799 3.960 0.005 0.000 0.209 339 G C 1.636 176.423 174.900 -0.188 0.000 1.145 339 G CA 0.260 45.309 45.100 -0.085 0.000 0.791 339 G HN 0.095 nan 8.290 nan 0.000 0.530 340 K N -0.352 119.867 120.400 -0.302 0.000 2.148 340 K HA 0.070 4.393 4.320 0.005 0.000 0.204 340 K C -0.305 175.847 176.600 -0.748 0.000 1.050 340 K CA 0.548 56.494 56.287 -0.569 0.000 0.942 340 K CB -0.141 31.900 32.500 -0.765 0.000 0.724 340 K HN 0.401 nan 8.250 nan 0.000 0.446 341 Y N -1.906 118.336 120.300 -0.096 0.000 2.553 341 Y HA 0.261 4.815 4.550 0.007 0.000 0.347 341 Y C -1.898 173.971 175.900 -0.052 0.000 1.019 341 Y CA -2.733 55.324 58.100 -0.071 0.000 1.032 341 Y CB 1.631 40.044 38.460 -0.079 0.000 1.284 341 Y HN -0.186 nan 8.280 nan 0.000 0.466 342 P HA -0.111 nan 4.420 nan 0.000 0.217 342 P C 0.914 178.244 177.300 0.049 0.000 1.151 342 P CA 1.642 64.777 63.100 0.059 0.000 0.828 342 P CB 0.420 32.146 31.700 0.043 0.000 0.788 343 E N -0.229 120.007 120.200 0.059 0.000 2.107 343 E HA -0.113 4.241 4.350 0.005 0.000 0.191 343 E C 1.580 178.201 176.600 0.036 0.000 0.982 343 E CA 1.921 58.336 56.400 0.025 0.000 0.809 343 E CB -1.593 28.102 29.700 -0.010 0.000 0.756 343 E HN 0.323 nan 8.360 nan 0.000 0.459 344 T N -0.113 114.492 114.554 0.085 0.000 2.896 344 T HA 0.210 4.563 4.350 0.005 0.000 0.263 344 T C 2.252 177.014 174.700 0.104 0.000 1.050 344 T CA 0.856 63.028 62.100 0.120 0.000 1.140 344 T CB -0.203 68.749 68.868 0.139 0.000 0.877 344 T HN 0.237 nan 8.240 nan 0.000 0.457 345 A N 1.840 124.701 122.820 0.069 0.000 1.972 345 A HA 0.338 4.661 4.320 0.005 0.000 0.219 345 A C 2.667 180.217 177.584 -0.057 0.000 1.169 345 A CA 1.601 53.647 52.037 0.015 0.000 0.635 345 A CB -1.173 17.831 19.000 0.006 0.000 0.810 345 A HN 0.684 nan 8.150 nan 0.000 0.446 346 A N -0.526 122.271 122.820 -0.037 0.000 2.066 346 A HA 0.170 4.494 4.320 0.005 0.000 0.218 346 A C 2.009 179.540 177.584 -0.089 0.000 1.157 346 A CA 0.975 52.983 52.037 -0.049 0.000 0.670 346 A CB -0.446 18.543 19.000 -0.019 0.000 0.804 346 A HN 0.472 nan 8.150 nan 0.000 0.453 347 L N -0.333 120.808 121.223 -0.137 0.000 2.093 347 L HA -0.096 4.247 4.340 0.005 0.000 0.208 347 L C 1.986 178.584 176.870 -0.454 0.000 1.085 347 L CA 1.390 56.101 54.840 -0.215 0.000 0.755 347 L CB -0.284 41.657 42.059 -0.196 0.000 0.904 347 L HN 0.405 nan 8.230 nan 0.000 0.435 348 V N -4.903 114.639 119.914 -0.619 0.000 3.483 348 V HA 0.374 4.497 4.120 0.005 0.000 0.301 348 V C 2.110 178.033 176.094 -0.285 0.000 1.389 348 V CA 0.420 62.204 62.300 -0.860 0.000 1.101 348 V CB -0.159 30.889 31.823 -1.292 0.000 0.971 348 V HN 0.167 nan 8.190 nan 0.000 0.434 349 A N 2.319 125.049 122.820 -0.149 0.000 1.978 349 A HA -0.214 4.109 4.320 0.005 0.000 0.220 349 A C 1.849 179.457 177.584 0.041 0.000 1.170 349 A CA 2.064 54.076 52.037 -0.041 0.000 0.636 349 A CB -0.566 18.417 19.000 -0.029 0.000 0.810 349 A HN 0.774 nan 8.150 nan 0.000 0.448 350 D N -2.533 117.937 120.400 0.116 0.000 2.340 350 D HA -0.003 4.640 4.640 0.005 0.000 0.220 350 D C -0.127 176.318 176.300 0.242 0.000 1.039 350 D CA -0.140 53.957 54.000 0.161 0.000 0.866 350 D CB -0.203 40.691 40.800 0.158 0.000 0.913 350 D HN 0.502 nan 8.370 nan 0.000 0.523 351 W N 2.177 123.414 121.300 -0.104 0.000 2.448 351 W HA 0.363 5.026 4.660 0.005 0.000 0.339 351 W C 0.831 177.304 176.519 -0.077 0.000 1.124 351 W CA -1.000 56.281 57.345 -0.106 0.000 1.262 351 W CB 0.941 30.300 29.460 -0.169 0.000 1.251 351 W HN -0.257 nan 8.180 nan 0.000 0.597 352 T N -1.651 112.985 114.554 0.136 0.000 2.913 352 T HA 0.132 4.485 4.350 0.005 0.000 0.287 352 T C 0.694 175.476 174.700 0.136 0.000 1.008 352 T CA -0.507 61.646 62.100 0.087 0.000 1.067 352 T CB 1.237 70.122 68.868 0.028 0.000 0.996 352 T HN 0.323 nan 8.240 nan 0.000 0.513 353 D N 0.905 121.369 120.400 0.106 0.000 2.228 353 D HA -0.075 4.568 4.640 0.005 0.000 0.203 353 D C 1.765 178.178 176.300 0.187 0.000 0.988 353 D CA 1.209 55.287 54.000 0.131 0.000 0.864 353 D CB -0.009 40.837 40.800 0.077 0.000 0.928 353 D HN 0.717 nan 8.370 nan 0.000 0.469 354 E N 0.270 120.558 120.200 0.148 0.000 2.072 354 E HA -0.065 4.288 4.350 0.005 0.000 0.190 354 E C 2.111 178.831 176.600 0.201 0.000 0.982 354 E CA 0.648 57.156 56.400 0.180 0.000 0.803 354 E CB -0.125 29.633 29.700 0.097 0.000 0.755 354 E HN 0.368 nan 8.360 nan 0.000 0.453 355 Q N -0.098 119.782 119.800 0.133 0.000 2.226 355 Q HA -0.104 4.240 4.340 0.005 0.000 0.204 355 Q C 2.115 178.324 176.000 0.349 0.000 0.975 355 Q CA 0.907 56.759 55.803 0.082 0.000 0.866 355 Q CB -0.045 28.593 28.738 -0.167 0.000 0.915 355 Q HN 0.361 nan 8.270 nan 0.000 0.440 356 I N -0.429 120.385 120.570 0.408 0.000 2.277 356 I HA -0.207 3.966 4.170 0.005 0.000 0.243 356 I C 2.161 178.466 176.117 0.313 0.000 1.094 356 I CA 0.755 62.243 61.300 0.314 0.000 1.393 356 I CB -0.347 37.767 38.000 0.190 0.000 1.078 356 I HN 0.438 nan 8.210 nan 0.000 0.417 357 W N 1.958 123.338 121.300 0.134 0.000 2.364 357 W HA -0.221 4.443 4.660 0.007 0.000 0.281 357 W C 2.253 178.847 176.519 0.125 0.000 1.219 357 W CA 1.178 58.600 57.345 0.128 0.000 1.220 357 W CB 0.208 29.728 29.460 0.101 0.000 1.127 357 W HN 0.136 nan 8.180 nan 0.000 0.556 358 A N 0.543 123.439 122.820 0.126 0.000 2.119 358 A HA 0.013 4.336 4.320 0.005 0.000 0.217 358 A C 1.031 178.625 177.584 0.017 0.000 1.153 358 A CA 0.316 52.365 52.037 0.021 0.000 0.692 358 A CB -0.808 18.223 19.000 0.052 0.000 0.799 358 A HN 0.171 nan 8.150 nan 0.000 0.458 359 L N 1.321 122.554 121.223 0.018 0.000 2.540 359 L HA 0.029 4.373 4.340 0.005 0.000 0.276 359 L C 0.292 177.325 176.870 0.271 0.000 1.212 359 L CA -0.108 54.719 54.840 -0.022 0.000 0.893 359 L CB -0.068 41.725 42.059 -0.444 0.000 1.138 359 L HN 0.309 nan 8.230 nan 0.000 0.491 360 N N 2.522 121.514 118.700 0.487 0.000 2.453 360 N HA 0.428 5.172 4.740 0.005 0.000 0.290 360 N C -0.769 175.099 175.510 0.596 0.000 1.250 360 N CA -0.787 52.534 53.050 0.452 0.000 0.815 360 N CB 1.587 40.244 38.487 0.284 0.000 1.381 360 N HN 0.373 nan 8.380 nan 0.000 0.510 361 R N -0.344 120.356 120.500 0.333 0.000 2.441 361 R HA 0.277 4.620 4.340 0.005 0.000 0.284 361 R C 1.346 177.674 176.300 0.047 0.000 1.070 361 R CA -0.102 56.043 56.100 0.075 0.000 1.047 361 R CB 0.406 30.521 30.300 -0.308 0.000 1.016 361 R HN 0.759 nan 8.270 nan 0.000 0.477 362 G N 2.040 110.794 108.800 -0.076 0.000 2.503 362 G HA2 -0.299 3.665 3.960 0.005 0.000 0.221 362 G HA3 -0.299 3.665 3.960 0.005 0.000 0.221 362 G C 1.272 176.114 174.900 -0.097 0.000 1.131 362 G CA 0.958 46.020 45.100 -0.063 0.000 0.756 362 G HN 0.761 nan 8.290 nan 0.000 0.572 363 G N -1.255 107.414 108.800 -0.219 0.000 2.708 363 G HA2 -0.032 3.931 3.960 0.005 0.000 0.210 363 G HA3 -0.032 3.931 3.960 0.005 0.000 0.210 363 G C 1.190 175.827 174.900 -0.438 0.000 1.141 363 G CA 0.476 45.392 45.100 -0.308 0.000 0.788 363 G HN 0.569 nan 8.290 nan 0.000 0.531 364 H N -0.777 118.214 119.070 -0.131 0.000 2.755 364 H HA 0.128 4.687 4.556 0.005 0.000 0.273 364 H C -0.472 174.830 175.328 -0.043 0.000 1.055 364 H CA -0.271 55.675 56.048 -0.171 0.000 1.191 364 H CB 1.100 30.688 29.762 -0.289 0.000 1.536 364 H HN 0.240 nan 8.280 nan 0.000 0.529 365 D N 1.390 121.834 120.400 0.074 0.000 2.392 365 D HA 0.145 4.788 4.640 0.005 0.000 0.228 365 D C -1.854 174.475 176.300 0.049 0.000 1.074 365 D CA -2.211 51.834 54.000 0.075 0.000 0.838 365 D CB 2.369 43.234 40.800 0.107 0.000 1.067 365 D HN -0.023 nan 8.370 nan 0.000 0.511 366 P HA -0.149 nan 4.420 nan 0.000 0.216 366 P C 1.015 178.356 177.300 0.068 0.000 1.150 366 P CA 1.365 64.459 63.100 -0.010 0.000 0.843 366 P CB 0.411 31.948 31.700 -0.272 0.000 0.787 367 K N -0.581 119.791 120.400 -0.046 0.000 2.097 367 K HA -0.136 4.188 4.320 0.005 0.000 0.205 367 K C 2.036 178.776 176.600 0.232 0.000 1.050 367 K CA 1.303 57.670 56.287 0.133 0.000 0.938 367 K CB -0.194 32.336 32.500 0.050 0.000 0.718 367 K HN -0.002 nan 8.250 nan 0.000 0.442 368 K N 1.076 121.568 120.400 0.154 0.000 2.031 368 K HA 0.016 4.339 4.320 0.005 0.000 0.205 368 K C 1.863 178.541 176.600 0.129 0.000 1.049 368 K CA 0.915 57.275 56.287 0.122 0.000 0.939 368 K CB -0.104 32.441 32.500 0.075 0.000 0.717 368 K HN 0.036 nan 8.250 nan 0.000 0.438 369 I N -0.435 120.234 120.570 0.164 0.000 2.127 369 I HA -0.329 3.845 4.170 0.005 0.000 0.241 369 I C 2.028 178.348 176.117 0.338 0.000 1.075 369 I CA 1.399 62.829 61.300 0.217 0.000 1.334 369 I CB -0.320 37.821 38.000 0.235 0.000 1.040 369 I HN 0.159 nan 8.210 nan 0.000 0.405 370 Y N 1.676 122.168 120.300 0.320 0.000 2.114 370 Y HA -0.353 4.200 4.550 0.005 0.000 0.282 370 Y C 2.511 178.584 175.900 0.288 0.000 1.165 370 Y CA 1.620 59.955 58.100 0.392 0.000 1.148 370 Y CB -0.416 38.300 38.460 0.428 0.000 0.972 370 Y HN 0.149 nan 8.280 nan 0.000 0.504 371 A N 0.308 123.287 122.820 0.264 0.000 1.908 371 A HA -0.167 4.157 4.320 0.005 0.000 0.218 371 A C 2.416 179.977 177.584 -0.038 0.000 1.181 371 A CA 2.092 54.199 52.037 0.117 0.000 0.627 371 A CB -1.507 17.578 19.000 0.142 0.000 0.818 371 A HN 0.624 nan 8.150 nan 0.000 0.445 372 A N -1.383 121.385 122.820 -0.087 0.000 1.898 372 A HA 0.062 4.385 4.320 0.005 0.000 0.216 372 A C 1.976 179.323 177.584 -0.394 0.000 1.181 372 A CA 1.369 53.256 52.037 -0.249 0.000 0.620 372 A CB -0.705 18.092 19.000 -0.338 0.000 0.819 372 A HN 0.460 nan 8.150 nan 0.000 0.442 373 F N -0.121 119.594 119.950 -0.392 0.000 2.186 373 F HA -0.094 4.436 4.527 0.005 0.000 0.299 373 F C 2.313 177.814 175.800 -0.499 0.000 1.090 373 F CA 1.779 59.375 58.000 -0.673 0.000 1.307 373 F CB -0.029 38.091 39.000 -1.466 0.000 1.019 373 F HN 0.092 nan 8.300 nan 0.000 0.489 374 K N 0.923 121.232 120.400 -0.151 0.000 2.025 374 K HA -0.189 4.134 4.320 0.005 0.000 0.207 374 K C 2.002 178.592 176.600 -0.016 0.000 1.049 374 K CA 1.396 57.696 56.287 0.021 0.000 0.933 374 K CB -0.240 32.175 32.500 -0.142 0.000 0.714 374 K HN -0.033 nan 8.250 nan 0.000 0.438 375 K N 0.114 120.469 120.400 -0.074 0.000 2.057 375 K HA -0.008 4.315 4.320 0.005 0.000 0.207 375 K C 1.746 178.292 176.600 -0.089 0.000 1.049 375 K CA 1.550 57.796 56.287 -0.068 0.000 0.931 375 K CB -0.516 31.936 32.500 -0.081 0.000 0.714 375 K HN 0.152 nan 8.250 nan 0.000 0.440 376 A N 0.518 123.252 122.820 -0.144 0.000 2.019 376 A HA -0.185 4.139 4.320 0.005 0.000 0.219 376 A C 2.085 179.613 177.584 -0.094 0.000 1.164 376 A CA 1.553 53.497 52.037 -0.155 0.000 0.644 376 A CB -0.518 18.336 19.000 -0.243 0.000 0.805 376 A HN 0.542 nan 8.150 nan 0.000 0.449 377 Q N -0.487 119.294 119.800 -0.033 0.000 2.291 377 Q HA -0.146 4.197 4.340 0.005 0.000 0.205 377 Q C 1.142 177.144 176.000 0.003 0.000 0.970 377 Q CA 1.373 57.192 55.803 0.027 0.000 0.876 377 Q CB 0.020 28.841 28.738 0.139 0.000 0.935 377 Q HN 0.944 nan 8.270 nan 0.000 0.455 378 E N -1.046 119.145 120.200 -0.015 0.000 2.548 378 E HA 0.113 4.466 4.350 0.005 0.000 0.206 378 E C -0.430 176.146 176.600 -0.040 0.000 1.005 378 E CA -0.070 56.319 56.400 -0.019 0.000 0.951 378 E CB 0.624 30.320 29.700 -0.007 0.000 1.035 378 E HN -0.101 nan 8.360 nan 0.000 0.470 379 T N 2.487 117.004 114.554 -0.061 0.000 2.743 379 T HA 0.266 4.619 4.350 0.005 0.000 0.293 379 T C -0.205 174.440 174.700 -0.092 0.000 0.945 379 T CA -0.488 61.565 62.100 -0.078 0.000 1.030 379 T CB 1.152 69.962 68.868 -0.096 0.000 0.912 379 T HN 0.040 nan 8.240 nan 0.000 0.483 380 K N 1.198 121.547 120.400 -0.084 0.000 2.306 380 K HA 0.665 4.988 4.320 0.005 0.000 0.236 380 K C 1.055 177.593 176.600 -0.103 0.000 1.013 380 K CA -1.003 55.229 56.287 -0.092 0.000 0.857 380 K CB 1.733 34.192 32.500 -0.068 0.000 1.214 380 K HN 0.702 nan 8.250 nan 0.000 0.449 381 G N 0.789 109.522 108.800 -0.111 0.000 2.179 381 G HA2 -0.316 3.648 3.960 0.005 0.000 0.260 381 G HA3 -0.316 3.648 3.960 0.005 0.000 0.260 381 G C -0.092 174.711 174.900 -0.162 0.000 0.977 381 G CA 1.207 46.238 45.100 -0.116 0.000 0.641 381 G HN 0.759 nan 8.290 nan 0.000 0.533 382 K N -1.591 118.683 120.400 -0.211 0.000 2.711 382 K HA 0.732 5.055 4.320 0.005 0.000 0.294 382 K C -0.268 176.084 176.600 -0.413 0.000 1.037 382 K CA -0.374 55.722 56.287 -0.319 0.000 0.858 382 K CB 0.452 32.794 32.500 -0.264 0.000 1.521 382 K HN 1.327 nan 8.250 nan 0.000 0.386 383 A N 0.800 123.194 122.820 -0.710 0.000 2.287 383 A HA 0.608 4.931 4.320 0.005 0.000 0.273 383 A C -0.559 176.737 177.584 -0.479 0.000 1.091 383 A CA -0.202 51.331 52.037 -0.840 0.000 0.817 383 A CB 0.810 18.755 19.000 -1.758 0.000 1.069 383 A HN 0.581 nan 8.150 nan 0.000 0.492 384 T N 0.432 114.843 114.554 -0.239 0.000 2.861 384 T HA 0.544 4.897 4.350 0.005 0.000 0.287 384 T C -0.788 173.983 174.700 0.118 0.000 1.003 384 T CA -0.298 61.788 62.100 -0.022 0.000 0.977 384 T CB 1.299 70.085 68.868 -0.136 0.000 0.996 384 T HN 0.607 nan 8.240 nan 0.000 0.448 385 V N 3.837 123.800 119.914 0.081 0.000 2.417 385 V HA 0.575 4.698 4.120 0.005 0.000 0.291 385 V C -0.271 175.667 176.094 -0.259 0.000 1.024 385 V CA -0.896 61.319 62.300 -0.141 0.000 0.861 385 V CB 1.355 32.877 31.823 -0.501 0.000 0.985 385 V HN 0.803 nan 8.190 nan 0.000 0.436 386 I N 5.390 125.763 120.570 -0.327 0.000 2.330 386 I HA 0.368 4.541 4.170 0.005 0.000 0.289 386 I C -0.408 175.492 176.117 -0.362 0.000 1.001 386 I CA -0.344 60.720 61.300 -0.394 0.000 1.193 386 I CB 1.502 39.152 38.000 -0.583 0.000 1.345 386 I HN 0.452 nan 8.210 nan 0.000 0.461 387 L N 7.207 128.231 121.223 -0.331 0.000 2.352 387 L HA 0.480 4.823 4.340 0.005 0.000 0.272 387 L C 0.520 177.214 176.870 -0.292 0.000 1.109 387 L CA -0.443 54.212 54.840 -0.309 0.000 0.952 387 L CB 0.557 42.432 42.059 -0.306 0.000 1.314 387 L HN 0.620 nan 8.230 nan 0.000 0.427 388 A N 2.375 125.042 122.820 -0.256 0.000 2.347 388 A HA 0.159 4.482 4.320 0.005 0.000 0.287 388 A C -0.152 177.319 177.584 -0.187 0.000 1.199 388 A CA -0.256 51.647 52.037 -0.224 0.000 0.851 388 A CB -0.219 18.667 19.000 -0.191 0.000 1.118 388 A HN 0.727 nan 8.150 nan 0.000 0.525 389 H N 3.023 121.873 119.070 -0.365 0.000 2.800 389 H HA 0.368 4.927 4.556 0.005 0.000 0.291 389 H C 0.378 175.517 175.328 -0.316 0.000 1.076 389 H CA 0.710 56.526 56.048 -0.386 0.000 1.452 389 H CB 0.540 29.942 29.762 -0.600 0.000 1.461 389 H HN 0.820 nan 8.280 nan 0.000 0.488 390 T N 2.188 116.547 114.554 -0.324 0.000 2.804 390 T HA 0.483 4.836 4.350 0.005 0.000 0.290 390 T C -0.348 174.313 174.700 -0.066 0.000 1.099 390 T CA -0.964 60.951 62.100 -0.308 0.000 1.011 390 T CB 1.600 70.257 68.868 -0.351 0.000 1.291 390 T HN 0.403 nan 8.240 nan 0.000 0.523 391 I N 1.065 121.805 120.570 0.284 0.000 2.382 391 I HA 0.416 4.589 4.170 0.005 0.000 0.286 391 I C 0.032 176.314 176.117 0.275 0.000 1.002 391 I CA -0.884 60.569 61.300 0.254 0.000 1.135 391 I CB 1.795 39.979 38.000 0.308 0.000 1.288 391 I HN 0.637 nan 8.210 nan 0.000 0.448 392 K N 4.727 125.244 120.400 0.194 0.000 2.368 392 K HA 0.374 4.697 4.320 0.005 0.000 0.282 392 K C 0.949 177.681 176.600 0.220 0.000 1.035 392 K CA 0.669 57.074 56.287 0.197 0.000 0.973 392 K CB 0.618 33.215 32.500 0.161 0.000 0.957 392 K HN 0.858 nan 8.250 nan 0.000 0.474 393 G N 3.234 112.178 108.800 0.241 0.000 2.198 393 G HA2 -0.320 3.644 3.960 0.005 0.000 0.257 393 G HA3 -0.320 3.644 3.960 0.005 0.000 0.257 393 G C -0.391 174.666 174.900 0.262 0.000 1.042 393 G CA 0.331 45.569 45.100 0.231 0.000 0.791 393 G HN 0.732 nan 8.290 nan 0.000 0.502 394 Y N 0.451 120.851 120.300 0.167 0.000 2.721 394 Y HA 0.309 4.863 4.550 0.005 0.000 0.329 394 Y C 1.652 177.710 175.900 0.264 0.000 1.211 394 Y CA 1.371 59.558 58.100 0.145 0.000 1.512 394 Y CB 0.475 39.004 38.460 0.115 0.000 1.249 394 Y HN 1.382 nan 8.280 nan 0.000 0.549 395 G N 4.752 113.309 108.800 -0.405 0.000 2.245 395 G HA2 -0.384 3.579 3.960 0.005 0.000 0.264 395 G HA3 -0.384 3.579 3.960 0.005 0.000 0.264 395 G C 0.901 175.891 174.900 0.149 0.000 0.985 395 G CA 0.756 45.702 45.100 -0.257 0.000 0.625 395 G HN 0.676 nan 8.290 nan 0.000 0.536 396 M N 0.706 120.448 119.600 0.236 0.000 2.492 396 M HA 0.283 4.766 4.480 0.005 0.000 0.262 396 M C 2.277 178.735 176.300 0.263 0.000 1.090 396 M CA 1.178 56.657 55.300 0.297 0.000 1.110 396 M CB -0.334 32.401 32.600 0.225 0.000 1.407 396 M HN 1.017 nan 8.290 nan 0.000 0.470 397 G N 2.097 111.025 108.800 0.212 0.000 2.672 397 G HA2 -0.436 3.527 3.960 0.005 0.000 0.324 397 G HA3 -0.436 3.527 3.960 0.005 0.000 0.324 397 G C 0.452 175.355 174.900 0.005 0.000 1.286 397 G CA 0.801 45.962 45.100 0.102 0.000 1.004 397 G HN 0.528 nan 8.290 nan 0.000 0.548 398 D N 0.720 121.042 120.400 -0.129 0.000 2.653 398 D HA -0.320 4.323 4.640 0.005 0.000 0.199 398 D C 2.568 178.858 176.300 -0.016 0.000 1.042 398 D CA 3.330 57.276 54.000 -0.089 0.000 0.876 398 D CB -1.153 39.551 40.800 -0.160 0.000 1.010 398 D HN 1.172 nan 8.370 nan 0.000 0.473 399 A N 2.441 125.261 122.820 -0.000 0.000 1.828 399 A HA 0.230 4.553 4.320 0.005 0.000 0.215 399 A C 1.514 179.140 177.584 0.071 0.000 1.203 399 A CA 2.894 54.957 52.037 0.043 0.000 0.614 399 A CB -1.077 17.961 19.000 0.064 0.000 0.844 399 A HN 1.331 nan 8.150 nan 0.000 0.445 415 D N -0.563 119.867 120.400 0.050 0.000 2.489 415 D HA 0.399 5.042 4.640 0.005 0.000 0.231 415 D C 1.359 177.714 176.300 0.092 0.000 1.114 415 D CA 1.004 55.050 54.000 0.076 0.000 0.842 415 D CB 0.466 41.302 40.800 0.060 0.000 1.133 415 D HN 0.622 nan 8.370 nan 0.000 0.506 416 G N 0.872 109.717 108.800 0.074 0.000 2.625 416 G HA2 -0.112 3.852 3.960 0.005 0.000 0.214 416 G HA3 -0.112 3.852 3.960 0.005 0.000 0.214 416 G C 1.546 176.527 174.900 0.134 0.000 1.132 416 G CA 1.195 46.346 45.100 0.085 0.000 0.782 416 G HN 0.313 nan 8.290 nan 0.000 0.538 417 V N -0.319 119.676 119.914 0.136 0.000 3.406 417 V HA 0.130 4.253 4.120 0.005 0.000 0.263 417 V C 2.361 178.626 176.094 0.286 0.000 1.172 417 V CA 1.140 63.545 62.300 0.176 0.000 1.140 417 V CB -0.310 31.555 31.823 0.071 0.000 0.784 417 V HN 0.487 nan 8.190 nan 0.000 0.467 418 R N 0.172 120.815 120.500 0.237 0.000 2.285 418 R HA -0.201 4.143 4.340 0.005 0.000 0.213 418 R C 2.045 178.458 176.300 0.190 0.000 1.068 418 R CA 1.822 58.050 56.100 0.214 0.000 1.004 418 R CB -0.984 29.401 30.300 0.142 0.000 0.873 418 R HN 0.738 nan 8.270 nan 0.000 0.467 419 H N 1.832 120.979 119.070 0.128 0.000 2.333 419 H HA -0.066 4.494 4.556 0.006 0.000 0.302 419 H C 2.051 177.450 175.328 0.118 0.000 1.075 419 H CA 2.017 58.120 56.048 0.091 0.000 1.348 419 H CB -0.093 29.713 29.762 0.073 0.000 1.393 419 H HN 0.355 nan 8.280 nan 0.000 0.509 420 I N 0.429 121.056 120.570 0.095 0.000 2.394 420 I HA -0.123 4.051 4.170 0.005 0.000 0.251 420 I C 2.393 178.681 176.117 0.284 0.000 1.136 420 I CA 1.689 63.099 61.300 0.183 0.000 1.425 420 I CB -0.335 37.914 38.000 0.414 0.000 1.079 420 I HN 0.231 nan 8.210 nan 0.000 0.425 421 R N 0.757 121.443 120.500 0.309 0.000 2.120 421 R HA -0.124 4.219 4.340 0.005 0.000 0.234 421 R C 1.573 177.874 176.300 0.001 0.000 1.123 421 R CA 1.947 58.123 56.100 0.127 0.000 0.975 421 R CB -1.169 29.118 30.300 -0.022 0.000 0.866 421 R HN 0.382 nan 8.270 nan 0.000 0.446 422 D N 0.265 120.642 120.400 -0.039 0.000 2.103 422 D HA -0.069 4.575 4.640 0.005 0.000 0.199 422 D C 1.794 177.982 176.300 -0.186 0.000 0.978 422 D CA 0.715 54.658 54.000 -0.095 0.000 0.829 422 D CB -0.235 40.515 40.800 -0.083 0.000 0.981 422 D HN 0.097 nan 8.370 nan 0.000 0.464 423 R N 0.147 120.435 120.500 -0.353 0.000 2.103 423 R HA -0.118 4.225 4.340 0.005 0.000 0.242 423 R C 1.151 177.038 176.300 -0.690 0.000 1.142 423 R CA 0.998 56.723 56.100 -0.625 0.000 0.960 423 R CB -0.471 29.265 30.300 -0.940 0.000 0.858 423 R HN 0.223 nan 8.270 nan 0.000 0.439 424 F N 0.359 120.277 119.950 -0.053 0.000 2.684 424 F HA 0.258 4.788 4.527 0.005 0.000 0.298 424 F C 0.022 175.818 175.800 -0.007 0.000 1.120 424 F CA -0.486 57.517 58.000 0.004 0.000 1.332 424 F CB -0.486 38.557 39.000 0.071 0.000 0.986 424 F HN 0.050 nan 8.300 nan 0.000 0.524 425 N N 0.043 118.765 118.700 0.037 0.000 2.699 425 N HA -0.169 4.574 4.740 0.005 0.000 0.256 425 N C -0.786 174.720 175.510 -0.007 0.000 0.993 425 N CA -0.124 52.928 53.050 0.002 0.000 0.759 425 N CB -1.180 37.313 38.487 0.010 0.000 0.906 425 N HN 0.014 nan 8.380 nan 0.000 0.541 426 V N 1.012 120.885 119.914 -0.069 0.000 2.555 426 V HA 0.211 4.334 4.120 0.005 0.000 0.286 426 V C -1.172 174.747 176.094 -0.293 0.000 1.044 426 V CA -0.964 61.193 62.300 -0.238 0.000 1.026 426 V CB 0.961 32.452 31.823 -0.554 0.000 0.981 426 V HN 0.198 nan 8.190 nan 0.000 0.480 427 P HA 0.226 nan 4.420 nan 0.000 0.225 427 P C -0.744 176.409 177.300 -0.245 0.000 1.813 427 P CA 0.217 63.204 63.100 -0.190 0.000 1.013 427 P CB 0.581 32.222 31.700 -0.098 0.000 1.961 428 V N 1.431 121.167 119.914 -0.297 0.000 2.612 428 V HA 0.389 4.513 4.120 0.005 0.000 0.301 428 V C 0.072 176.083 176.094 -0.138 0.000 1.059 428 V CA -0.615 61.544 62.300 -0.235 0.000 0.886 428 V CB 2.017 33.624 31.823 -0.360 0.000 1.007 428 V HN 0.416 nan 8.190 nan 0.000 0.426 429 S N 3.623 119.283 115.700 -0.066 0.000 2.569 429 S HA 0.023 4.496 4.470 0.005 0.000 0.274 429 S C 0.893 175.491 174.600 -0.002 0.000 1.353 429 S CA 0.893 59.074 58.200 -0.030 0.000 1.023 429 S CB 0.941 64.132 63.200 -0.015 0.000 0.876 429 S HN 0.942 nan 8.310 nan 0.000 0.540 430 D N 1.692 122.096 120.400 0.007 0.000 2.348 430 D HA 0.098 4.741 4.640 0.005 0.000 0.216 430 D C 1.747 178.066 176.300 0.033 0.000 0.970 430 D CA 1.179 55.196 54.000 0.029 0.000 0.889 430 D CB -0.372 40.443 40.800 0.025 0.000 0.912 430 D HN 0.655 nan 8.370 nan 0.000 0.524 431 A N -0.042 122.791 122.820 0.022 0.000 2.081 431 A HA -0.007 4.316 4.320 0.005 0.000 0.214 431 A C 1.500 179.100 177.584 0.026 0.000 1.158 431 A CA 0.734 52.784 52.037 0.021 0.000 0.724 431 A CB 0.188 19.195 19.000 0.012 0.000 0.826 431 A HN 0.033 nan 8.150 nan 0.000 0.463 432 D N -0.732 119.688 120.400 0.033 0.000 2.366 432 D HA 0.086 4.729 4.640 0.005 0.000 0.205 432 D C 1.474 177.823 176.300 0.080 0.000 1.022 432 D CA 0.021 54.047 54.000 0.043 0.000 0.868 432 D CB -0.122 40.699 40.800 0.035 0.000 0.953 432 D HN 0.346 nan 8.370 nan 0.000 0.514 433 I N 1.415 122.048 120.570 0.106 0.000 2.185 433 I HA -0.309 3.864 4.170 0.005 0.000 0.246 433 I C 1.701 177.888 176.117 0.116 0.000 1.088 433 I CA 1.523 62.932 61.300 0.181 0.000 1.347 433 I CB 0.132 38.236 38.000 0.173 0.000 1.041 433 I HN -0.138 nan 8.210 nan 0.000 0.415 434 E N 0.131 120.370 120.200 0.064 0.000 2.338 434 E HA -0.189 4.165 4.350 0.005 0.000 0.197 434 E C 1.779 178.382 176.600 0.004 0.000 1.007 434 E CA 0.844 57.261 56.400 0.029 0.000 0.849 434 E CB -0.080 29.633 29.700 0.022 0.000 0.774 434 E HN 0.469 nan 8.360 nan 0.000 0.506 435 K N 0.306 120.712 120.400 0.009 0.000 2.426 435 K HA 0.168 4.492 4.320 0.005 0.000 0.193 435 K C -0.118 176.442 176.600 -0.066 0.000 1.028 435 K CA 0.022 56.296 56.287 -0.022 0.000 1.047 435 K CB 0.080 32.575 32.500 -0.008 0.000 0.821 435 K HN -0.004 nan 8.250 nan 0.000 0.513 436 L N 1.469 122.664 121.223 -0.047 0.000 3.823 436 L HA -0.159 4.185 4.340 0.005 0.000 0.525 436 L C -2.363 174.368 176.870 -0.230 0.000 1.247 436 L CA -0.635 54.115 54.840 -0.149 0.000 0.776 436 L CB -1.556 40.356 42.059 -0.244 0.000 1.443 436 L HN 0.114 nan 8.230 nan 0.000 0.831 437 P HA 0.217 nan 4.420 nan 0.000 0.284 437 P C -0.463 176.889 177.300 0.087 0.000 1.253 437 P CA -0.177 62.906 63.100 -0.028 0.000 0.800 437 P CB 0.698 32.450 31.700 0.087 0.000 0.961 438 Y N 1.320 121.699 120.300 0.131 0.000 2.326 438 Y HA 0.262 4.815 4.550 0.005 0.000 0.333 438 Y C 1.159 177.197 175.900 0.229 0.000 1.240 438 Y CA -0.138 58.043 58.100 0.134 0.000 1.365 438 Y CB 0.379 38.788 38.460 -0.085 0.000 1.289 438 Y HN 0.161 nan 8.280 nan 0.000 0.548 439 I N 2.485 123.325 120.570 0.451 0.000 2.412 439 I HA 0.396 4.569 4.170 0.005 0.000 0.296 439 I C -0.142 176.023 176.117 0.080 0.000 0.987 439 I CA -0.516 60.873 61.300 0.148 0.000 1.180 439 I CB 1.707 39.701 38.000 -0.010 0.000 1.340 439 I HN 0.675 nan 8.210 nan 0.000 0.455 440 T N 1.777 116.242 114.554 -0.148 0.000 2.896 440 T HA 0.622 4.976 4.350 0.005 0.000 0.297 440 T C -0.941 173.522 174.700 -0.395 0.000 1.108 440 T CA -0.650 61.313 62.100 -0.228 0.000 1.004 440 T CB 1.863 70.659 68.868 -0.120 0.000 1.159 440 T HN 0.127 nan 8.240 nan 0.000 0.499 441 F N 2.677 122.670 119.950 0.072 0.000 2.402 441 F HA 0.506 5.036 4.527 0.005 0.000 0.355 441 F C -1.987 173.861 175.800 0.079 0.000 1.123 441 F CA -2.465 55.596 58.000 0.102 0.000 1.021 441 F CB 1.524 40.614 39.000 0.150 0.000 1.160 441 F HN 0.386 nan 8.300 nan 0.000 0.451 442 P HA -0.047 nan 4.420 nan 0.000 0.268 442 P C -0.095 177.082 177.300 -0.205 0.000 1.205 442 P CA -0.145 62.945 63.100 -0.016 0.000 0.771 442 P CB 0.837 32.543 31.700 0.009 0.000 0.858 443 E N 1.210 121.147 120.200 -0.439 0.000 2.480 443 E HA 0.095 4.448 4.350 0.005 0.000 0.258 443 E C 1.277 177.717 176.600 -0.266 0.000 0.984 443 E CA 1.539 57.522 56.400 -0.694 0.000 0.930 443 E CB -0.179 29.271 29.700 -0.417 0.000 0.936 443 E HN 0.823 nan 8.360 nan 0.000 0.466 444 G N 3.185 111.901 108.800 -0.140 0.000 2.232 444 G HA2 -0.288 3.675 3.960 0.005 0.000 0.226 444 G HA3 -0.288 3.675 3.960 0.005 0.000 0.226 444 G C 0.293 175.218 174.900 0.042 0.000 0.996 444 G CA 0.278 45.372 45.100 -0.011 0.000 0.626 444 G HN 0.747 nan 8.290 nan 0.000 0.509 445 S N 0.168 115.909 115.700 0.067 0.000 2.585 445 S HA 0.521 4.994 4.470 0.005 0.000 0.273 445 S C 1.051 175.707 174.600 0.094 0.000 1.339 445 S CA 0.688 58.947 58.200 0.097 0.000 1.028 445 S CB 2.143 65.441 63.200 0.164 0.000 0.906 445 S HN 0.401 nan 8.310 nan 0.000 0.528 446 E N 1.028 121.253 120.200 0.041 0.000 2.118 446 E HA -0.228 4.126 4.350 0.005 0.000 0.195 446 E C 1.494 178.083 176.600 -0.018 0.000 0.992 446 E CA 1.683 58.095 56.400 0.020 0.000 0.804 446 E CB -0.090 29.602 29.700 -0.014 0.000 0.741 446 E HN 0.842 nan 8.360 nan 0.000 0.458 447 E N -0.456 119.646 120.200 -0.163 0.000 2.047 447 E HA -0.192 4.161 4.350 0.005 0.000 0.191 447 E C 1.995 178.489 176.600 -0.177 0.000 0.987 447 E CA 1.192 57.338 56.400 -0.423 0.000 0.799 447 E CB -0.328 28.556 29.700 -1.359 0.000 0.752 447 E HN 0.330 nan 8.360 nan 0.000 0.449 448 H N 0.320 119.352 119.070 -0.062 0.000 2.321 448 H HA -0.092 4.468 4.556 0.005 0.000 0.300 448 H C 1.668 177.115 175.328 0.198 0.000 1.087 448 H CA 1.983 58.119 56.048 0.146 0.000 1.319 448 H CB 0.049 29.933 29.762 0.203 0.000 1.379 448 H HN 0.137 nan 8.280 nan 0.000 0.501 449 T N 0.335 115.047 114.554 0.264 0.000 2.684 449 T HA -0.213 4.141 4.350 0.005 0.000 0.267 449 T C 1.802 176.567 174.700 0.108 0.000 1.036 449 T CA 1.659 63.873 62.100 0.191 0.000 1.148 449 T CB -0.767 68.194 68.868 0.155 0.000 0.863 449 T HN 0.421 nan 8.240 nan 0.000 0.436 450 Y N 1.415 121.699 120.300 -0.027 0.000 2.242 450 Y HA -0.025 4.528 4.550 0.005 0.000 0.291 450 Y C 2.139 177.980 175.900 -0.099 0.000 1.137 450 Y CA 0.786 58.850 58.100 -0.061 0.000 1.181 450 Y CB -0.402 38.013 38.460 -0.074 0.000 0.989 450 Y HN 0.129 nan 8.280 nan 0.000 0.527 451 L N -0.543 120.696 121.223 0.026 0.000 1.994 451 L HA -0.259 4.085 4.340 0.005 0.000 0.208 451 L C 2.329 179.047 176.870 -0.253 0.000 1.071 451 L CA 2.124 56.885 54.840 -0.132 0.000 0.745 451 L CB -0.925 40.984 42.059 -0.249 0.000 0.892 451 L HN 0.255 nan 8.230 nan 0.000 0.431 452 H N -0.515 118.496 119.070 -0.097 0.000 2.428 452 H HA 0.098 4.657 4.556 0.005 0.000 0.296 452 H C 2.172 177.439 175.328 -0.102 0.000 1.062 452 H CA 1.116 57.138 56.048 -0.043 0.000 1.350 452 H CB -0.190 29.527 29.762 -0.076 0.000 1.403 452 H HN 0.562 nan 8.280 nan 0.000 0.533 453 A N 1.216 124.006 122.820 -0.050 0.000 1.933 453 A HA -0.158 4.165 4.320 0.005 0.000 0.218 453 A C 2.339 179.778 177.584 -0.242 0.000 1.175 453 A CA 1.120 53.075 52.037 -0.136 0.000 0.628 453 A CB -0.116 18.786 19.000 -0.164 0.000 0.814 453 A HN 0.246 nan 8.150 nan 0.000 0.444 454 Q N -0.436 119.156 119.800 -0.346 0.000 2.079 454 Q HA -0.084 4.260 4.340 0.005 0.000 0.200 454 Q C 2.232 178.082 176.000 -0.250 0.000 0.974 454 Q CA 1.074 56.648 55.803 -0.380 0.000 0.840 454 Q CB -0.399 28.063 28.738 -0.461 0.000 0.898 454 Q HN 0.488 nan 8.270 nan 0.000 0.430 455 R N 0.542 120.919 120.500 -0.206 0.000 2.075 455 R HA -0.045 4.298 4.340 0.005 0.000 0.232 455 R C 2.106 178.241 176.300 -0.275 0.000 1.126 455 R CA 0.859 56.819 56.100 -0.233 0.000 0.963 455 R CB -0.482 29.606 30.300 -0.352 0.000 0.858 455 R HN 0.288 nan 8.270 nan 0.000 0.435 456 Q N 0.976 120.636 119.800 -0.234 0.000 2.135 456 Q HA -0.116 4.227 4.340 0.005 0.000 0.204 456 Q C 1.921 177.801 176.000 -0.200 0.000 0.981 456 Q CA 1.416 57.107 55.803 -0.187 0.000 0.856 456 Q CB -0.199 28.479 28.738 -0.100 0.000 0.902 456 Q HN 0.217 nan 8.270 nan 0.000 0.425 457 K N -0.125 120.155 120.400 -0.200 0.000 2.209 457 K HA -0.027 4.296 4.320 0.005 0.000 0.204 457 K C 1.246 177.699 176.600 -0.244 0.000 1.048 457 K CA 0.609 56.767 56.287 -0.214 0.000 0.940 457 K CB 0.085 32.467 32.500 -0.197 0.000 0.729 457 K HN 0.120 nan 8.250 nan 0.000 0.451 458 L N -0.137 120.970 121.223 -0.194 0.000 2.848 458 L HA 0.156 4.499 4.340 0.005 0.000 0.240 458 L C -0.590 176.274 176.870 -0.011 0.000 1.232 458 L CA -0.050 54.729 54.840 -0.102 0.000 1.031 458 L CB -0.311 41.729 42.059 -0.031 0.000 1.338 458 L HN 0.388 nan 8.230 nan 0.000 0.509 459 H N -1.132 117.894 119.070 -0.074 0.000 3.022 459 H HA -0.128 4.431 4.556 0.005 0.000 0.258 459 H C 0.926 176.186 175.328 -0.113 0.000 1.212 459 H CA 0.508 56.516 56.048 -0.066 0.000 1.126 459 H CB -1.081 28.670 29.762 -0.019 0.000 1.267 459 H HN 0.646 nan 8.280 nan 0.000 0.345 460 G N -1.808 106.891 108.800 -0.170 0.000 2.384 460 G HA2 -0.108 3.856 3.960 0.005 0.000 0.204 460 G HA3 -0.108 3.856 3.960 0.005 0.000 0.204 460 G C -1.122 173.413 174.900 -0.608 0.000 1.237 460 G CA -0.481 44.364 45.100 -0.425 0.000 1.060 460 G HN 0.237 nan 8.290 nan 0.000 0.514 461 Y N 0.233 120.585 120.300 0.086 0.000 2.457 461 Y HA 0.781 5.334 4.550 0.005 0.000 0.333 461 Y C 0.876 176.814 175.900 0.063 0.000 1.119 461 Y CA -0.362 57.786 58.100 0.080 0.000 1.143 461 Y CB 1.753 40.233 38.460 0.033 0.000 1.230 461 Y HN 0.868 nan 8.280 nan 0.000 0.469 462 L N 0.953 122.317 121.223 0.235 0.000 2.466 462 L HA 0.831 5.174 4.340 0.005 0.000 0.258 462 L C -3.153 173.760 176.870 0.070 0.000 0.973 462 L CA -2.338 52.572 54.840 0.118 0.000 0.826 462 L CB 2.628 44.783 42.059 0.160 0.000 1.372 462 L HN 0.266 nan 8.230 nan 0.000 0.409 463 P HA 0.373 nan 4.420 nan 0.000 0.276 463 P C -1.027 175.912 177.300 -0.600 0.000 1.244 463 P CA -0.195 62.664 63.100 -0.402 0.000 0.801 463 P CB 1.664 33.057 31.700 -0.513 0.000 1.006 464 S N 0.836 116.338 115.700 -0.330 0.000 2.547 464 S HA 0.657 5.130 4.470 0.005 0.000 0.270 464 S C -1.149 173.365 174.600 -0.143 0.000 1.150 464 S CA -0.941 57.127 58.200 -0.220 0.000 0.850 464 S CB 2.245 65.398 63.200 -0.078 0.000 1.118 464 S HN 0.610 nan 8.310 nan 0.000 0.461 465 R N 0.910 121.359 120.500 -0.086 0.000 2.673 465 R HA 0.431 4.774 4.340 0.005 0.000 0.281 465 R C -1.558 174.728 176.300 -0.022 0.000 0.991 465 R CA -0.463 55.594 56.100 -0.072 0.000 0.896 465 R CB 1.999 32.254 30.300 -0.075 0.000 1.201 465 R HN 0.879 nan 8.270 nan 0.000 0.457 466 Q N 5.726 125.514 119.800 -0.018 0.000 2.372 466 Q HA 0.323 4.666 4.340 0.005 0.000 0.259 466 Q C -2.119 173.908 176.000 0.046 0.000 0.993 466 Q CA -2.061 53.755 55.803 0.021 0.000 0.854 466 Q CB 1.909 30.667 28.738 0.033 0.000 1.231 466 Q HN 0.359 nan 8.270 nan 0.000 0.462 467 P HA -0.051 nan 4.420 nan 0.000 0.220 467 P C -0.618 176.813 177.300 0.218 0.000 1.148 467 P CA 0.994 64.166 63.100 0.121 0.000 0.803 467 P CB 0.367 32.110 31.700 0.071 0.000 0.782 468 N N -0.673 118.114 118.700 0.144 0.000 2.229 468 N HA 0.260 5.004 4.740 0.005 0.000 0.298 468 N C -0.478 175.118 175.510 0.143 0.000 1.114 468 N CA -0.663 52.436 53.050 0.081 0.000 0.776 468 N CB 1.572 39.980 38.487 -0.133 0.000 1.501 468 N HN -0.078 nan 8.380 nan 0.000 0.474 469 F N -0.864 119.207 119.950 0.202 0.000 2.406 469 F HA 0.382 4.912 4.527 0.005 0.000 0.327 469 F C 1.853 177.714 175.800 0.100 0.000 1.153 469 F CA -0.624 57.482 58.000 0.176 0.000 1.218 469 F CB 0.084 39.221 39.000 0.228 0.000 1.215 469 F HN 0.489 nan 8.300 nan 0.000 0.570 470 T N -2.263 112.438 114.554 0.246 0.000 3.010 470 T HA 0.039 4.392 4.350 0.005 0.000 0.252 470 T C 0.525 175.327 174.700 0.170 0.000 1.047 470 T CA 0.353 62.525 62.100 0.120 0.000 1.140 470 T CB -0.644 68.286 68.868 0.104 0.000 0.885 470 T HN 0.823 nan 8.240 nan 0.000 0.464 471 E N 1.492 121.881 120.200 0.315 0.000 2.408 471 E HA 0.139 4.492 4.350 0.005 0.000 0.259 471 E C -0.412 176.389 176.600 0.334 0.000 1.110 471 E CA -0.575 55.988 56.400 0.272 0.000 0.929 471 E CB 0.588 30.426 29.700 0.230 0.000 0.971 471 E HN 0.269 nan 8.360 nan 0.000 0.438 472 K N 3.350 123.878 120.400 0.214 0.000 2.265 472 K HA 0.290 4.613 4.320 0.005 0.000 0.267 472 K C -0.820 175.892 176.600 0.188 0.000 0.994 472 K CA -0.601 55.806 56.287 0.200 0.000 0.860 472 K CB 0.760 33.328 32.500 0.112 0.000 1.099 472 K HN 0.519 nan 8.250 nan 0.000 0.448 473 L N 2.812 124.171 121.223 0.226 0.000 2.360 473 L HA 0.323 4.667 4.340 0.005 0.000 0.271 473 L C 0.296 177.243 176.870 0.128 0.000 1.057 473 L CA -0.753 54.182 54.840 0.157 0.000 0.803 473 L CB 1.254 43.409 42.059 0.160 0.000 1.207 473 L HN 0.473 nan 8.230 nan 0.000 0.445 474 E N 2.970 123.227 120.200 0.095 0.000 2.261 474 E HA 0.268 4.621 4.350 0.005 0.000 0.239 474 E C -0.662 175.993 176.600 0.091 0.000 0.991 474 E CA -0.694 55.757 56.400 0.084 0.000 0.847 474 E CB 0.764 30.500 29.700 0.060 0.000 1.223 474 E HN 0.239 nan 8.360 nan 0.000 0.446 475 L N 3.588 124.882 121.223 0.119 0.000 2.467 475 L HA 0.168 4.511 4.340 0.005 0.000 0.270 475 L C -1.706 175.262 176.870 0.163 0.000 1.205 475 L CA -1.665 53.262 54.840 0.145 0.000 0.828 475 L CB -0.629 41.528 42.059 0.163 0.000 1.101 475 L HN 0.184 nan 8.230 nan 0.000 0.479 476 P HA 0.151 nan 4.420 nan 0.000 0.271 476 P C -0.634 176.877 177.300 0.352 0.000 1.218 476 P CA -0.445 62.763 63.100 0.179 0.000 0.780 476 P CB 0.674 32.423 31.700 0.082 0.000 0.901 477 S N 1.745 117.570 115.700 0.208 0.000 2.655 477 S HA 0.133 4.606 4.470 0.005 0.000 0.265 477 S C 1.170 175.813 174.600 0.071 0.000 1.240 477 S CA -0.652 57.651 58.200 0.172 0.000 0.986 477 S CB 0.201 63.441 63.200 0.066 0.000 0.985 477 S HN 0.356 nan 8.310 nan 0.000 0.562 478 L N 0.786 121.795 121.223 -0.356 0.000 2.093 478 L HA 0.015 4.358 4.340 0.005 0.000 0.208 478 L C 2.451 179.336 176.870 0.026 0.000 1.085 478 L CA 1.753 56.372 54.840 -0.367 0.000 0.755 478 L CB -1.382 40.380 42.059 -0.496 0.000 0.904 478 L HN 0.795 nan 8.230 nan 0.000 0.435 479 Q N -0.266 119.521 119.800 -0.022 0.000 2.135 479 Q HA -0.221 4.122 4.340 0.005 0.000 0.204 479 Q C 1.776 177.768 176.000 -0.013 0.000 0.981 479 Q CA 1.851 57.648 55.803 -0.009 0.000 0.856 479 Q CB -0.410 28.316 28.738 -0.020 0.000 0.902 479 Q HN 0.471 nan 8.270 nan 0.000 0.425 480 D N -0.578 119.796 120.400 -0.043 0.000 2.311 480 D HA -0.126 4.517 4.640 0.005 0.000 0.212 480 D C 0.277 176.361 176.300 -0.361 0.000 0.972 480 D CA 0.891 54.763 54.000 -0.212 0.000 0.887 480 D CB -0.009 40.608 40.800 -0.305 0.000 0.915 480 D HN 0.284 nan 8.370 nan 0.000 0.497 481 F N -0.578 119.336 119.950 -0.060 0.000 2.639 481 F HA 0.311 4.842 4.527 0.005 0.000 0.300 481 F C 2.224 177.998 175.800 -0.042 0.000 1.109 481 F CA -0.442 57.528 58.000 -0.049 0.000 1.335 481 F CB -0.023 38.954 39.000 -0.039 0.000 1.014 481 F HN -0.131 nan 8.300 nan 0.000 0.537 482 G N 0.781 109.622 108.800 0.068 0.000 2.545 482 G HA2 -0.354 3.609 3.960 0.005 0.000 0.222 482 G HA3 -0.354 3.609 3.960 0.005 0.000 0.222 482 G C 1.943 176.859 174.900 0.027 0.000 1.126 482 G CA 1.116 46.235 45.100 0.032 0.000 0.754 482 G HN 0.443 nan 8.290 nan 0.000 0.583 483 A N -0.044 122.786 122.820 0.017 0.000 1.972 483 A HA 0.112 4.436 4.320 0.005 0.000 0.219 483 A C 2.228 179.834 177.584 0.037 0.000 1.169 483 A CA 1.274 53.318 52.037 0.013 0.000 0.635 483 A CB -0.244 18.753 19.000 -0.006 0.000 0.810 483 A HN 0.319 nan 8.150 nan 0.000 0.446 484 L N -0.500 120.768 121.223 0.075 0.000 2.395 484 L HA 0.085 4.428 4.340 0.005 0.000 0.218 484 L C 2.062 179.011 176.870 0.131 0.000 1.130 484 L CA 1.083 55.984 54.840 0.103 0.000 0.826 484 L CB -0.795 41.349 42.059 0.141 0.000 0.941 484 L HN 0.398 nan 8.230 nan 0.000 0.451 485 L N -1.184 120.096 121.223 0.094 0.000 2.375 485 L HA 0.010 4.353 4.340 0.005 0.000 0.215 485 L C 0.875 177.736 176.870 -0.015 0.000 1.108 485 L CA 0.038 54.912 54.840 0.056 0.000 0.830 485 L CB -0.157 41.904 42.059 0.002 0.000 0.959 485 L HN 0.245 nan 8.230 nan 0.000 0.457 486 E N 0.786 120.986 120.200 0.000 0.000 2.342 486 E HA 0.105 4.458 4.350 0.005 0.000 0.257 486 E C -0.140 176.457 176.600 -0.006 0.000 1.150 486 E CA -0.615 55.773 56.400 -0.020 0.000 0.926 486 E CB 0.666 30.359 29.700 -0.011 0.000 1.074 486 E HN 0.072 nan 8.360 nan 0.000 0.449 487 E N 1.129 121.318 120.200 -0.017 0.000 2.384 487 E HA -0.083 4.270 4.350 0.005 0.000 0.266 487 E C -0.683 175.906 176.600 -0.018 0.000 1.012 487 E CA -0.219 56.165 56.400 -0.026 0.000 0.901 487 E CB 0.680 30.394 29.700 0.022 0.000 0.967 487 E HN 0.216 nan 8.360 nan 0.000 0.435 488 Q N 2.026 121.790 119.800 -0.059 0.000 2.259 488 Q HA 0.148 4.491 4.340 0.005 0.000 0.249 488 Q C 0.472 176.479 176.000 0.012 0.000 0.914 488 Q CA 0.130 55.918 55.803 -0.024 0.000 0.904 488 Q CB 1.691 30.408 28.738 -0.035 0.000 1.213 488 Q HN 0.631 nan 8.270 nan 0.000 0.428 489 S N 1.959 117.673 115.700 0.023 0.000 2.380 489 S HA -0.140 4.333 4.470 0.005 0.000 0.217 489 S C 0.035 174.670 174.600 0.057 0.000 1.036 489 S CA 1.599 59.822 58.200 0.040 0.000 1.050 489 S CB -0.143 63.072 63.200 0.024 0.000 1.016 489 S HN 0.568 nan 8.310 nan 0.000 0.419 490 K N 1.906 122.330 120.400 0.040 0.000 2.109 490 K HA 0.417 4.740 4.320 0.005 0.000 0.243 490 K C -0.366 176.265 176.600 0.051 0.000 1.006 490 K CA -0.371 55.945 56.287 0.048 0.000 0.917 490 K CB 0.272 32.788 32.500 0.028 0.000 1.081 490 K HN 0.115 nan 8.250 nan 0.000 0.468 491 E N 1.059 121.297 120.200 0.063 0.000 2.257 491 E HA 0.205 4.558 4.350 0.005 0.000 0.278 491 E C -0.029 176.571 176.600 0.000 0.000 1.049 491 E CA -0.231 56.207 56.400 0.062 0.000 0.876 491 E CB 0.166 29.925 29.700 0.097 0.000 1.035 491 E HN 0.558 nan 8.360 nan 0.000 0.419 492 I N -1.009 119.532 120.570 -0.048 0.000 3.294 492 I HA 0.561 4.734 4.170 0.005 0.000 0.311 492 I C 0.045 176.045 176.117 -0.195 0.000 1.111 492 I CA -1.022 60.229 61.300 -0.082 0.000 0.976 492 I CB 1.940 39.911 38.000 -0.049 0.000 1.260 492 I HN 0.340 nan 8.210 nan 0.000 0.474 493 S N -0.700 114.900 115.700 -0.167 0.000 2.739 493 S HA 0.398 4.871 4.470 0.005 0.000 0.306 493 S C 0.831 175.353 174.600 -0.130 0.000 1.115 493 S CA 0.138 58.197 58.200 -0.235 0.000 0.985 493 S CB 1.239 64.357 63.200 -0.137 0.000 1.133 493 S HN 0.849 nan 8.310 nan 0.000 0.541 494 T N -2.133 112.359 114.554 -0.103 0.000 3.035 494 T HA -0.008 4.345 4.350 0.005 0.000 0.268 494 T C 1.477 176.202 174.700 0.041 0.000 1.109 494 T CA 1.381 63.471 62.100 -0.016 0.000 1.119 494 T CB -1.005 67.864 68.868 0.002 0.000 0.900 494 T HN 0.611 nan 8.240 nan 0.000 0.503 495 T N 1.844 116.420 114.554 0.038 0.000 2.896 495 T HA 0.242 4.596 4.350 0.005 0.000 0.263 495 T C 1.843 176.642 174.700 0.165 0.000 1.050 495 T CA 0.560 62.730 62.100 0.116 0.000 1.140 495 T CB -0.310 68.620 68.868 0.104 0.000 0.877 495 T HN 0.339 nan 8.240 nan 0.000 0.457 496 I N 1.510 122.121 120.570 0.069 0.000 2.286 496 I HA -0.164 4.009 4.170 0.005 0.000 0.248 496 I C 2.809 178.938 176.117 0.021 0.000 1.115 496 I CA 0.999 62.319 61.300 0.033 0.000 1.392 496 I CB -0.338 37.659 38.000 -0.005 0.000 1.065 496 I HN 0.184 nan 8.210 nan 0.000 0.418 497 A N 0.567 123.407 122.820 0.035 0.000 1.933 497 A HA -0.264 4.059 4.320 0.005 0.000 0.218 497 A C 2.224 179.831 177.584 0.038 0.000 1.175 497 A CA 1.613 53.670 52.037 0.033 0.000 0.628 497 A CB -0.962 18.063 19.000 0.042 0.000 0.814 497 A HN 0.520 nan 8.150 nan 0.000 0.444 498 F N 0.707 120.630 119.950 -0.046 0.000 2.146 498 F HA -0.112 4.418 4.527 0.005 0.000 0.298 498 F C 2.034 177.781 175.800 -0.089 0.000 1.096 498 F CA 1.895 59.855 58.000 -0.067 0.000 1.275 498 F CB -0.477 38.483 39.000 -0.068 0.000 1.008 498 F HN -0.002 nan 8.300 nan 0.000 0.480 499 V N 1.442 121.098 119.914 -0.430 0.000 2.407 499 V HA -0.257 3.866 4.120 0.005 0.000 0.248 499 V C 2.537 178.412 176.094 -0.365 0.000 1.055 499 V CA 2.166 64.160 62.300 -0.510 0.000 1.049 499 V CB -0.735 30.989 31.823 -0.166 0.000 0.662 499 V HN 0.323 nan 8.190 nan 0.000 0.455 500 R N 0.006 120.381 120.500 -0.209 0.000 2.115 500 R HA -0.057 4.287 4.340 0.005 0.000 0.230 500 R C 2.416 178.640 176.300 -0.127 0.000 1.111 500 R CA 1.305 57.324 56.100 -0.135 0.000 0.976 500 R CB -0.483 29.781 30.300 -0.060 0.000 0.870 500 R HN 0.538 nan 8.270 nan 0.000 0.445 501 A N 1.378 124.117 122.820 -0.134 0.000 1.898 501 A HA -0.110 4.213 4.320 0.005 0.000 0.216 501 A C 2.153 179.658 177.584 -0.132 0.000 1.181 501 A CA 0.876 52.921 52.037 0.014 0.000 0.620 501 A CB -0.521 18.458 19.000 -0.035 0.000 0.819 501 A HN 0.199 nan 8.150 nan 0.000 0.442 502 L N -0.154 120.791 121.223 -0.464 0.000 2.042 502 L HA -0.239 4.104 4.340 0.005 0.000 0.210 502 L C 2.343 179.016 176.870 -0.328 0.000 1.076 502 L CA 1.517 56.016 54.840 -0.569 0.000 0.749 502 L CB -0.494 41.098 42.059 -0.778 0.000 0.893 502 L HN 0.478 nan 8.230 nan 0.000 0.432 503 N N -0.601 117.942 118.700 -0.261 0.000 2.223 503 N HA -0.149 4.594 4.740 0.005 0.000 0.185 503 N C 1.754 177.155 175.510 -0.181 0.000 1.016 503 N CA 1.186 54.126 53.050 -0.185 0.000 0.863 503 N CB -0.002 38.394 38.487 -0.153 0.000 0.983 503 N HN 0.166 nan 8.380 nan 0.000 0.429 504 V N 1.884 121.671 119.914 -0.212 0.000 2.343 504 V HA -0.205 3.918 4.120 0.005 0.000 0.247 504 V C 2.372 178.287 176.094 -0.299 0.000 1.051 504 V CA 1.349 63.450 62.300 -0.331 0.000 1.036 504 V CB -0.344 31.104 31.823 -0.626 0.000 0.654 504 V HN 0.295 nan 8.190 nan 0.000 0.451 505 M N -0.862 118.616 119.600 -0.203 0.000 2.159 505 M HA -0.126 4.357 4.480 0.005 0.000 0.263 505 M C 1.973 178.214 176.300 -0.097 0.000 1.063 505 M CA 1.750 56.986 55.300 -0.106 0.000 1.110 505 M CB -0.456 32.105 32.600 -0.066 0.000 1.374 505 M HN 0.239 nan 8.290 nan 0.000 0.411 506 L N 0.060 121.212 121.223 -0.118 0.000 2.622 506 L HA -0.113 4.230 4.340 0.005 0.000 0.233 506 L C 1.648 178.474 176.870 -0.073 0.000 1.156 506 L CA 0.764 55.555 54.840 -0.083 0.000 0.866 506 L CB -0.303 41.703 42.059 -0.087 0.000 0.980 506 L HN 0.293 nan 8.230 nan 0.000 0.448 507 K N -1.139 119.205 120.400 -0.093 0.000 2.373 507 K HA 0.090 4.413 4.320 0.005 0.000 0.200 507 K C 0.592 177.149 176.600 -0.072 0.000 1.054 507 K CA -0.204 56.033 56.287 -0.084 0.000 1.065 507 K CB 0.440 32.875 32.500 -0.107 0.000 0.886 507 K HN 0.153 nan 8.250 nan 0.000 0.546 508 N N 2.397 121.056 118.700 -0.068 0.000 2.470 508 N HA -0.035 4.709 4.740 0.005 0.000 0.268 508 N C 0.826 176.322 175.510 -0.023 0.000 1.136 508 N CA 0.089 53.113 53.050 -0.043 0.000 0.961 508 N CB 0.852 39.325 38.487 -0.024 0.000 1.067 508 N HN 0.044 nan 8.380 nan 0.000 0.468 509 K N 1.936 122.327 120.400 -0.015 0.000 2.097 509 K HA -0.108 4.216 4.320 0.005 0.000 0.205 509 K C 1.588 178.188 176.600 0.000 0.000 1.050 509 K CA 1.028 57.310 56.287 -0.009 0.000 0.938 509 K CB -0.686 31.811 32.500 -0.006 0.000 0.718 509 K HN 0.416 nan 8.250 nan 0.000 0.442 510 S N 1.403 117.109 115.700 0.010 0.000 2.383 510 S HA -0.029 4.444 4.470 0.005 0.000 0.227 510 S C 1.898 176.506 174.600 0.012 0.000 1.026 510 S CA 0.991 59.203 58.200 0.019 0.000 0.981 510 S CB -0.220 63.003 63.200 0.038 0.000 0.818 510 S HN 0.540 nan 8.310 nan 0.000 0.472 511 I N -1.572 119.005 120.570 0.012 0.000 4.240 511 I HA 0.332 4.505 4.170 0.005 0.000 0.331 511 I C 1.609 177.731 176.117 0.007 0.000 1.381 511 I CA -0.264 61.039 61.300 0.005 0.000 1.136 511 I CB -0.047 37.965 38.000 0.021 0.000 1.137 511 I HN 0.092 nan 8.210 nan 0.000 0.411 512 K N 1.218 121.617 120.400 -0.001 0.000 2.074 512 K HA -0.191 4.133 4.320 0.005 0.000 0.209 512 K C 0.717 177.323 176.600 0.010 0.000 1.048 512 K CA 2.164 58.448 56.287 -0.004 0.000 0.926 512 K CB -0.517 31.974 32.500 -0.017 0.000 0.713 512 K HN 0.349 nan 8.250 nan 0.000 0.444 513 D N 0.100 120.502 120.400 0.003 0.000 2.340 513 D HA 0.023 4.666 4.640 0.005 0.000 0.220 513 D C 1.480 177.788 176.300 0.013 0.000 1.039 513 D CA 0.209 54.211 54.000 0.002 0.000 0.866 513 D CB 0.281 41.067 40.800 -0.024 0.000 0.913 513 D HN 0.184 nan 8.370 nan 0.000 0.523 514 R N 0.186 120.695 120.500 0.016 0.000 2.276 514 R HA 0.191 4.534 4.340 0.005 0.000 0.196 514 R C 0.874 177.216 176.300 0.070 0.000 0.961 514 R CA -0.094 56.015 56.100 0.015 0.000 1.024 514 R CB -0.062 30.206 30.300 -0.054 0.000 0.940 514 R HN 0.209 nan 8.270 nan 0.000 0.480 515 L N 1.242 122.529 121.223 0.107 0.000 2.426 515 L HA 0.155 4.498 4.340 0.005 0.000 0.271 515 L C 0.060 177.085 176.870 0.259 0.000 1.169 515 L CA -0.213 54.748 54.840 0.202 0.000 0.836 515 L CB 0.940 43.094 42.059 0.159 0.000 1.112 515 L HN -0.272 nan 8.230 nan 0.000 0.465 516 V N 3.364 123.478 119.914 0.333 0.000 2.380 516 V HA 0.245 4.369 4.120 0.005 0.000 0.268 516 V C -2.335 173.979 176.094 0.366 0.000 1.008 516 V CA -1.499 60.996 62.300 0.326 0.000 0.823 516 V CB 1.102 33.104 31.823 0.299 0.000 1.053 516 V HN 0.591 nan 8.190 nan 0.000 0.446 517 P HA 0.433 nan 4.420 nan 0.000 0.276 517 P C -0.568 176.938 177.300 0.343 0.000 1.230 517 P CA 0.140 63.470 63.100 0.384 0.000 0.776 517 P CB 0.878 32.755 31.700 0.295 0.000 0.888 518 I N 4.095 124.904 120.570 0.399 0.000 2.533 518 I HA 0.496 4.669 4.170 0.005 0.000 0.290 518 I C 0.148 176.517 176.117 0.419 0.000 1.056 518 I CA -0.959 60.525 61.300 0.307 0.000 1.057 518 I CB 1.674 39.783 38.000 0.182 0.000 1.240 518 I HN 0.246 nan 8.210 nan 0.000 0.423 519 I N 1.996 122.770 120.570 0.340 0.000 2.828 519 I HA 0.882 5.055 4.170 0.005 0.000 0.302 519 I C -0.440 175.883 176.117 0.344 0.000 1.101 519 I CA -0.868 60.685 61.300 0.422 0.000 1.031 519 I CB 2.390 40.646 38.000 0.427 0.000 1.231 519 I HN 0.556 nan 8.210 nan 0.000 0.427 520 A N 3.224 126.304 122.820 0.433 0.000 2.801 520 A HA 0.558 4.881 4.320 0.005 0.000 0.344 520 A C 0.184 177.962 177.584 0.322 0.000 1.322 520 A CA 0.070 52.302 52.037 0.325 0.000 0.913 520 A CB -0.242 18.981 19.000 0.371 0.000 1.140 520 A HN 1.020 nan 8.150 nan 0.000 0.487 521 D N 0.429 120.985 120.400 0.258 0.000 4.295 521 D HA -0.213 4.431 4.640 0.005 0.000 0.191 521 D C 0.258 176.726 176.300 0.280 0.000 1.005 521 D CA 2.364 56.503 54.000 0.231 0.000 2.235 521 D CB -1.191 39.727 40.800 0.196 0.000 1.149 521 D HN 0.619 nan 8.370 nan 0.000 0.414 522 E N 0.197 120.591 120.200 0.324 0.000 2.585 522 E HA 0.416 4.769 4.350 0.005 0.000 0.252 522 E C 0.486 177.271 176.600 0.308 0.000 0.981 522 E CA 0.926 57.483 56.400 0.261 0.000 0.943 522 E CB 0.730 30.581 29.700 0.252 0.000 0.923 522 E HN 0.414 nan 8.360 nan 0.000 0.486 523 A N 4.299 127.248 122.820 0.216 0.000 1.853 523 A HA 0.136 4.459 4.320 0.005 0.000 0.204 523 A C 1.743 179.356 177.584 0.048 0.000 1.724 523 A CA -0.030 52.161 52.037 0.256 0.000 1.105 523 A CB 0.128 19.358 19.000 0.384 0.000 1.101 523 A HN 0.509 nan 8.150 nan 0.000 0.495 524 R N 0.078 120.575 120.500 -0.004 0.000 2.127 524 R HA -0.098 4.246 4.340 0.005 0.000 0.238 524 R C 1.900 178.114 176.300 -0.143 0.000 1.134 524 R CA 1.857 57.919 56.100 -0.063 0.000 0.975 524 R CB -0.441 29.846 30.300 -0.021 0.000 0.865 524 R HN 0.506 nan 8.270 nan 0.000 0.447 525 T N 0.192 114.565 114.554 -0.302 0.000 2.803 525 T HA -0.124 4.229 4.350 0.005 0.000 0.269 525 T C 0.749 175.125 174.700 -0.539 0.000 1.052 525 T CA 1.191 62.981 62.100 -0.516 0.000 1.136 525 T CB -0.099 68.229 68.868 -0.901 0.000 0.864 525 T HN 0.137 nan 8.240 nan 0.000 0.467 526 F N 0.140 120.056 119.950 -0.057 0.000 2.641 526 F HA 0.449 4.979 4.527 0.005 0.000 0.302 526 F C 1.695 177.482 175.800 -0.021 0.000 1.098 526 F CA -0.975 56.998 58.000 -0.047 0.000 1.318 526 F CB -0.559 38.418 39.000 -0.038 0.000 1.035 526 F HN 0.156 nan 8.300 nan 0.000 0.551 527 G N 0.745 109.572 108.800 0.045 0.000 2.283 527 G HA2 -0.314 3.650 3.960 0.005 0.000 0.280 527 G HA3 -0.314 3.650 3.960 0.005 0.000 0.280 527 G C 1.038 175.913 174.900 -0.042 0.000 1.029 527 G CA 0.600 45.693 45.100 -0.010 0.000 0.840 527 G HN 0.209 nan 8.290 nan 0.000 0.505 528 M N 0.119 119.686 119.600 -0.055 0.000 2.476 528 M HA 0.046 4.529 4.480 0.005 0.000 0.262 528 M C 2.356 178.277 176.300 -0.631 0.000 1.111 528 M CA 1.315 56.518 55.300 -0.161 0.000 1.127 528 M CB -0.452 32.171 32.600 0.038 0.000 1.376 528 M HN 0.580 nan 8.290 nan 0.000 0.465 529 E N 0.626 120.401 120.200 -0.708 0.000 2.448 529 E HA -0.149 4.204 4.350 0.005 0.000 0.203 529 E C 1.497 177.724 176.600 -0.621 0.000 1.046 529 E CA 1.557 57.326 56.400 -1.052 0.000 0.871 529 E CB -0.734 28.764 29.700 -0.336 0.000 0.790 529 E HN 0.477 nan 8.360 nan 0.000 0.545 530 G N 0.614 109.183 108.800 -0.385 0.000 2.777 530 G HA2 0.060 4.023 3.960 0.005 0.000 0.211 530 G HA3 0.060 4.023 3.960 0.005 0.000 0.211 530 G C 1.533 176.354 174.900 -0.132 0.000 1.149 530 G CA -0.072 44.916 45.100 -0.185 0.000 0.785 530 G HN 0.246 nan 8.290 nan 0.000 0.536 531 L N -0.180 120.936 121.223 -0.178 0.000 2.529 531 L HA 0.264 4.607 4.340 0.005 0.000 0.223 531 L C 2.101 179.073 176.870 0.169 0.000 1.113 531 L CA -0.285 54.544 54.840 -0.017 0.000 0.861 531 L CB -0.110 41.947 42.059 -0.004 0.000 1.012 531 L HN 0.005 nan 8.230 nan 0.000 0.461 532 F N 1.238 121.216 119.950 0.046 0.000 2.051 532 F HA -0.185 4.345 4.527 0.005 0.000 0.296 532 F C 2.659 178.481 175.800 0.037 0.000 1.122 532 F CA 1.237 59.268 58.000 0.051 0.000 1.201 532 F CB -1.073 37.958 39.000 0.053 0.000 0.978 532 F HN 0.137 nan 8.300 nan 0.000 0.472 533 R N 0.308 120.949 120.500 0.234 0.000 2.193 533 R HA -0.170 4.173 4.340 0.005 0.000 0.229 533 R C 1.919 178.272 176.300 0.088 0.000 1.110 533 R CA 1.397 57.573 56.100 0.127 0.000 0.988 533 R CB -0.750 29.600 30.300 0.084 0.000 0.871 533 R HN 0.441 nan 8.270 nan 0.000 0.458 534 Q N 1.657 121.511 119.800 0.088 0.000 2.061 534 Q HA -0.010 4.333 4.340 0.005 0.000 0.195 534 Q C 2.010 178.048 176.000 0.063 0.000 0.967 534 Q CA 1.244 57.080 55.803 0.055 0.000 0.829 534 Q CB 0.242 28.998 28.738 0.028 0.000 0.900 534 Q HN 0.591 nan 8.270 nan 0.000 0.450 535 I N -3.675 116.953 120.570 0.096 0.000 4.139 535 I HA 0.483 4.656 4.170 0.005 0.000 0.335 535 I C 0.728 176.916 176.117 0.118 0.000 1.327 535 I CA 0.169 61.527 61.300 0.095 0.000 1.112 535 I CB 0.746 38.804 38.000 0.098 0.000 1.058 535 I HN 0.213 nan 8.210 nan 0.000 0.396 536 G N 2.614 111.499 108.800 0.142 0.000 2.814 536 G HA2 -0.163 3.801 3.960 0.005 0.000 0.677 536 G HA3 -0.163 3.801 3.960 0.005 0.000 0.677 536 G C -1.005 173.956 174.900 0.102 0.000 1.429 536 G CA -0.236 44.930 45.100 0.110 0.000 0.868 536 G HN 0.279 nan 8.290 nan 0.000 0.553 537 I N 0.871 121.442 120.570 0.003 0.000 2.404 537 I HA 0.531 4.705 4.170 0.005 0.000 0.293 537 I C -0.011 176.147 176.117 0.068 0.000 0.992 537 I CA -1.075 60.208 61.300 -0.028 0.000 1.149 537 I CB 1.269 39.106 38.000 -0.272 0.000 1.315 537 I HN 0.676 nan 8.210 nan 0.000 0.446 538 Y N 6.928 127.248 120.300 0.034 0.000 2.650 538 Y HA 0.143 4.696 4.550 0.005 0.000 0.331 538 Y C -0.140 175.754 175.900 -0.009 0.000 1.165 538 Y CA 0.505 58.644 58.100 0.063 0.000 1.473 538 Y CB 0.453 39.023 38.460 0.183 0.000 1.224 538 Y HN 0.535 nan 8.280 nan 0.000 0.533 539 S N 9.060 124.423 115.700 -0.562 0.000 2.511 539 S HA 0.333 4.806 4.470 0.005 0.000 0.233 539 S C -2.714 171.488 174.600 -0.663 0.000 1.104 539 S CA -1.209 56.655 58.200 -0.560 0.000 1.129 539 S CB 0.733 63.767 63.200 -0.277 0.000 1.159 539 S HN 0.582 nan 8.310 nan 0.000 0.451 559 D N -0.581 119.784 120.400 -0.058 0.000 2.837 559 D HA 0.055 4.698 4.640 0.005 0.000 0.294 559 D C 0.971 177.202 176.300 -0.115 0.000 1.158 559 D CA -0.528 53.417 54.000 -0.092 0.000 1.073 559 D CB -0.081 40.686 40.800 -0.055 0.000 1.419 559 D HN 0.086 nan 8.370 nan 0.000 0.584 560 E N -0.071 120.038 120.200 -0.152 0.000 2.478 560 E HA -0.119 4.234 4.350 0.005 0.000 0.198 560 E C 0.315 176.985 176.600 0.116 0.000 1.046 560 E CA 0.679 56.969 56.400 -0.183 0.000 0.870 560 E CB -0.045 29.436 29.700 -0.365 0.000 0.818 560 E HN 0.378 nan 8.360 nan 0.000 0.527 561 K N 0.927 121.372 120.400 0.074 0.000 2.358 561 K HA 0.187 4.510 4.320 0.005 0.000 0.197 561 K C 0.802 177.464 176.600 0.102 0.000 1.025 561 K CA 0.347 56.675 56.287 0.069 0.000 1.104 561 K CB 0.920 33.433 32.500 0.022 0.000 0.855 561 K HN 0.048 nan 8.250 nan 0.000 0.531 562 G N 1.767 110.669 108.800 0.170 0.000 2.380 562 G HA2 -0.117 3.846 3.960 0.005 0.000 0.242 562 G HA3 -0.117 3.846 3.960 0.005 0.000 0.242 562 G C 0.470 175.540 174.900 0.283 0.000 1.298 562 G CA -0.095 45.118 45.100 0.189 0.000 0.878 562 G HN 0.233 nan 8.290 nan 0.000 0.542 563 Q N 1.623 121.560 119.800 0.227 0.000 2.204 563 Q HA 0.099 4.442 4.340 0.005 0.000 0.198 563 Q C 1.079 177.278 176.000 0.332 0.000 0.946 563 Q CA 0.219 56.190 55.803 0.279 0.000 0.859 563 Q CB 0.018 28.867 28.738 0.185 0.000 0.946 563 Q HN 0.673 nan 8.270 nan 0.000 0.474 564 I N 2.303 123.032 120.570 0.266 0.000 2.496 564 I HA 0.028 4.201 4.170 0.005 0.000 0.285 564 I C -0.400 175.842 176.117 0.208 0.000 1.080 564 I CA -0.112 61.337 61.300 0.248 0.000 1.404 564 I CB 0.737 38.907 38.000 0.284 0.000 1.403 564 I HN 0.158 nan 8.210 nan 0.000 0.539 565 L N 6.378 127.695 121.223 0.158 0.000 2.257 565 L HA 0.281 4.625 4.340 0.005 0.000 0.290 565 L C -0.154 176.797 176.870 0.136 0.000 1.044 565 L CA -0.492 54.416 54.840 0.113 0.000 0.810 565 L CB 1.141 43.199 42.059 -0.002 0.000 1.193 565 L HN 0.556 nan 8.230 nan 0.000 0.425 566 Q N 3.082 122.954 119.800 0.121 0.000 2.400 566 Q HA 0.163 4.506 4.340 0.005 0.000 0.255 566 Q C -0.128 175.933 176.000 0.102 0.000 1.008 566 Q CA -0.081 55.788 55.803 0.109 0.000 0.841 566 Q CB 1.074 29.837 28.738 0.041 0.000 1.220 566 Q HN 0.396 nan 8.270 nan 0.000 0.474 567 E N 3.288 123.548 120.200 0.101 0.000 2.419 567 E HA 0.224 4.577 4.350 0.005 0.000 0.190 567 E C 0.643 177.297 176.600 0.089 0.000 1.040 567 E CA 0.424 56.878 56.400 0.090 0.000 0.900 567 E CB 0.097 29.802 29.700 0.007 0.000 1.054 567 E HN 0.933 nan 8.360 nan 0.000 0.462 568 G N 2.123 110.984 108.800 0.102 0.000 2.633 568 G HA2 -0.319 3.645 3.960 0.005 0.000 0.263 568 G HA3 -0.319 3.645 3.960 0.005 0.000 0.263 568 G C 0.206 175.166 174.900 0.100 0.000 1.310 568 G CA -0.194 44.963 45.100 0.096 0.000 0.914 568 G HN 0.308 nan 8.290 nan 0.000 0.569 569 I N 1.852 122.467 120.570 0.074 0.000 2.352 569 I HA 0.228 4.401 4.170 0.005 0.000 0.303 569 I C 0.554 176.683 176.117 0.020 0.000 1.194 569 I CA 0.244 61.574 61.300 0.051 0.000 1.518 569 I CB -0.349 37.661 38.000 0.017 0.000 1.489 569 I HN 0.398 nan 8.210 nan 0.000 0.702 570 N N 3.735 122.451 118.700 0.027 0.000 2.839 570 N HA 0.101 4.844 4.740 0.005 0.000 0.230 570 N C 0.452 175.937 175.510 -0.042 0.000 1.388 570 N CA -0.152 52.892 53.050 -0.010 0.000 0.747 570 N CB 0.741 39.235 38.487 0.011 0.000 1.411 570 N HN 0.212 nan 8.380 nan 0.000 0.556 571 E N 0.498 120.684 120.200 -0.023 0.000 2.110 571 E HA -0.093 4.260 4.350 0.005 0.000 0.193 571 E C 1.538 178.067 176.600 -0.117 0.000 0.988 571 E CA 0.895 57.291 56.400 -0.007 0.000 0.804 571 E CB 0.161 29.859 29.700 -0.003 0.000 0.745 571 E HN 0.497 nan 8.360 nan 0.000 0.458 572 L N 0.020 121.168 121.223 -0.125 0.000 2.056 572 L HA 0.006 4.349 4.340 0.005 0.000 0.207 572 L C 2.083 178.779 176.870 -0.290 0.000 1.078 572 L CA 2.175 56.924 54.840 -0.151 0.000 0.749 572 L CB -0.942 41.070 42.059 -0.079 0.000 0.901 572 L HN 0.187 nan 8.230 nan 0.000 0.433 573 G N -1.230 107.345 108.800 -0.374 0.000 2.422 573 G HA2 -0.221 3.743 3.960 0.005 0.000 0.218 573 G HA3 -0.221 3.743 3.960 0.005 0.000 0.218 573 G C 1.590 175.883 174.900 -1.012 0.000 1.146 573 G CA 0.727 45.253 45.100 -0.957 0.000 0.769 573 G HN 0.608 nan 8.290 nan 0.000 0.547 574 A N 0.822 123.289 122.820 -0.588 0.000 1.930 574 A HA 0.194 4.517 4.320 0.005 0.000 0.217 574 A C 2.665 179.820 177.584 -0.715 0.000 1.175 574 A CA 1.957 53.588 52.037 -0.677 0.000 0.627 574 A CB -0.894 17.602 19.000 -0.839 0.000 0.815 574 A HN 0.496 nan 8.150 nan 0.000 0.443 575 G N -1.451 107.041 108.800 -0.513 0.000 2.484 575 G HA2 -0.153 3.810 3.960 0.005 0.000 0.218 575 G HA3 -0.153 3.810 3.960 0.005 0.000 0.218 575 G C 1.421 176.286 174.900 -0.060 0.000 1.130 575 G CA 1.214 46.178 45.100 -0.228 0.000 0.784 575 G HN 0.515 nan 8.290 nan 0.000 0.543 576 C N 0.049 119.216 119.300 -0.222 0.000 2.467 576 C HA 0.123 4.586 4.460 0.005 0.000 0.279 576 C C 3.293 178.254 174.990 -0.049 0.000 1.347 576 C CA 0.972 59.925 59.018 -0.108 0.000 1.748 576 C CB -0.521 27.123 27.740 -0.159 0.000 1.977 576 C HN 0.396 nan 8.230 nan 0.000 0.501 577 S N -0.610 115.000 115.700 -0.150 0.000 2.387 577 S HA -0.176 4.297 4.470 0.005 0.000 0.226 577 S C 1.421 175.959 174.600 -0.104 0.000 1.026 577 S CA 1.108 59.294 58.200 -0.023 0.000 0.972 577 S CB -0.343 62.855 63.200 -0.003 0.000 0.814 577 S HN 0.824 nan 8.310 nan 0.000 0.477 578 W N 2.000 123.146 121.300 -0.257 0.000 2.358 578 W HA -0.100 4.564 4.660 0.005 0.000 0.303 578 W C 1.788 178.194 176.519 -0.187 0.000 1.208 578 W CA 0.898 58.128 57.345 -0.191 0.000 1.274 578 W CB -0.443 28.933 29.460 -0.140 0.000 1.138 578 W HN 0.249 nan 8.180 nan 0.000 0.515 579 L N 1.634 122.880 121.223 0.038 0.000 2.056 579 L HA 0.000 4.343 4.340 0.005 0.000 0.207 579 L C 2.455 179.168 176.870 -0.262 0.000 1.078 579 L CA 2.691 57.461 54.840 -0.117 0.000 0.749 579 L CB -1.531 40.592 42.059 0.107 0.000 0.901 579 L HN 0.070 nan 8.230 nan 0.000 0.433 580 A N -0.569 122.099 122.820 -0.253 0.000 1.940 580 A HA -0.112 4.211 4.320 0.005 0.000 0.219 580 A C 2.416 179.521 177.584 -0.799 0.000 1.176 580 A CA 1.909 53.729 52.037 -0.362 0.000 0.631 580 A CB -1.061 17.780 19.000 -0.265 0.000 0.814 580 A HN 0.573 nan 8.150 nan 0.000 0.446 581 A N -0.375 121.797 122.820 -1.080 0.000 1.898 581 A HA 0.318 4.642 4.320 0.005 0.000 0.214 581 A C 2.378 179.662 177.584 -0.500 0.000 1.183 581 A CA 1.544 52.944 52.037 -1.060 0.000 0.622 581 A CB -0.899 17.680 19.000 -0.702 0.000 0.824 581 A HN 1.085 nan 8.150 nan 0.000 0.444 582 A N -0.386 122.076 122.820 -0.596 0.000 2.216 582 A HA 0.077 4.400 4.320 0.005 0.000 0.214 582 A C 1.753 179.281 177.584 -0.093 0.000 1.160 582 A CA 1.954 53.708 52.037 -0.471 0.000 0.725 582 A CB -0.763 17.568 19.000 -1.115 0.000 0.784 582 A HN 0.803 nan 8.150 nan 0.000 0.472 583 T N -5.119 109.335 114.554 -0.167 0.000 3.209 583 T HA 0.201 4.554 4.350 0.005 0.000 0.295 583 T C 1.300 175.820 174.700 -0.301 0.000 0.977 583 T CA 0.643 62.597 62.100 -0.243 0.000 0.922 583 T CB -0.043 68.709 68.868 -0.193 0.000 1.152 583 T HN 0.184 nan 8.240 nan 0.000 0.527 584 S N 1.507 117.136 115.700 -0.118 0.000 2.419 584 S HA -0.139 4.334 4.470 0.005 0.000 0.233 584 S C 1.924 176.535 174.600 0.019 0.000 1.016 584 S CA 1.246 59.445 58.200 -0.001 0.000 0.974 584 S CB -0.684 62.602 63.200 0.143 0.000 0.786 584 S HN 0.792 nan 8.310 nan 0.000 0.492 585 Y N 1.003 121.364 120.300 0.101 0.000 2.256 585 Y HA 0.026 4.580 4.550 0.005 0.000 0.288 585 Y C 2.530 178.547 175.900 0.194 0.000 1.155 585 Y CA 1.489 59.684 58.100 0.157 0.000 1.203 585 Y CB -1.103 37.518 38.460 0.267 0.000 0.980 585 Y HN 0.329 nan 8.280 nan 0.000 0.530 586 S N -0.522 114.808 115.700 -0.617 0.000 2.412 586 S HA -0.115 4.359 4.470 0.005 0.000 0.223 586 S C 2.137 176.640 174.600 -0.162 0.000 1.048 586 S CA 1.020 58.998 58.200 -0.370 0.000 0.954 586 S CB -1.029 61.795 63.200 -0.626 0.000 0.840 586 S HN 0.702 nan 8.310 nan 0.000 0.503 587 T N 0.800 115.256 114.554 -0.164 0.000 2.904 587 T HA 0.083 4.436 4.350 0.005 0.000 0.267 587 T C 1.175 175.894 174.700 0.031 0.000 1.059 587 T CA 1.310 63.389 62.100 -0.035 0.000 1.137 587 T CB -0.374 68.533 68.868 0.065 0.000 0.879 587 T HN 0.441 nan 8.240 nan 0.000 0.467 588 N N 0.960 119.687 118.700 0.046 0.000 2.171 588 N HA 0.103 4.846 4.740 0.005 0.000 0.212 588 N C 0.321 175.879 175.510 0.079 0.000 1.184 588 N CA 0.166 53.258 53.050 0.071 0.000 0.888 588 N CB 0.050 38.597 38.487 0.099 0.000 1.038 588 N HN 0.421 nan 8.380 nan 0.000 0.517 589 N N 0.814 119.572 118.700 0.097 0.000 2.721 589 N HA -0.217 4.526 4.740 0.005 0.000 0.249 589 N C -1.145 174.457 175.510 0.153 0.000 1.072 589 N CA 0.303 53.451 53.050 0.163 0.000 0.710 589 N CB -1.256 37.312 38.487 0.136 0.000 0.993 589 N HN 0.303 nan 8.380 nan 0.000 0.547 590 L N 0.452 121.748 121.223 0.122 0.000 2.454 590 L HA 0.556 4.899 4.340 0.005 0.000 0.258 590 L C -2.358 174.543 176.870 0.052 0.000 1.025 590 L CA -1.683 53.201 54.840 0.073 0.000 0.901 590 L CB 1.301 43.402 42.059 0.070 0.000 1.210 590 L HN -0.071 nan 8.230 nan 0.000 0.457 591 P HA 0.098 nan 4.420 nan 0.000 0.262 591 P C -0.970 176.243 177.300 -0.146 0.000 1.199 591 P CA 0.282 63.297 63.100 -0.142 0.000 0.763 591 P CB 0.634 31.909 31.700 -0.709 0.000 0.790 592 M N 4.137 123.686 119.600 -0.085 0.000 2.465 592 M HA 0.443 4.927 4.480 0.005 0.000 0.316 592 M C 0.083 176.225 176.300 -0.264 0.000 1.121 592 M CA -0.783 54.478 55.300 -0.064 0.000 0.934 592 M CB 1.878 34.596 32.600 0.198 0.000 1.692 592 M HN 0.213 nan 8.290 nan 0.000 0.444 593 I N 4.940 125.372 120.570 -0.231 0.000 2.460 593 I HA 0.285 4.458 4.170 0.005 0.000 0.277 593 I C -2.172 173.945 176.117 -0.001 0.000 1.057 593 I CA -1.632 59.514 61.300 -0.257 0.000 1.179 593 I CB 1.299 39.156 38.000 -0.237 0.000 1.329 593 I HN 0.232 nan 8.210 nan 0.000 0.478 594 P HA 0.255 nan 4.420 nan 0.000 0.279 594 P C -1.043 176.362 177.300 0.175 0.000 1.239 594 P CA -0.127 63.028 63.100 0.092 0.000 0.789 594 P CB 0.801 32.406 31.700 -0.159 0.000 0.933 595 F N 2.843 123.081 119.950 0.481 0.000 2.513 595 F HA 0.242 4.773 4.527 0.005 0.000 0.358 595 F C -0.118 176.006 175.800 0.540 0.000 1.118 595 F CA -0.747 57.577 58.000 0.540 0.000 1.037 595 F CB 1.016 40.278 39.000 0.436 0.000 1.276 595 F HN 0.247 nan 8.300 nan 0.000 0.446 596 Y N 5.698 126.282 120.300 0.473 0.000 2.353 596 Y HA 0.602 5.155 4.550 0.005 0.000 0.340 596 Y C -1.037 174.953 175.900 0.149 0.000 0.972 596 Y CA -2.113 56.157 58.100 0.285 0.000 1.157 596 Y CB 0.725 39.252 38.460 0.112 0.000 1.157 596 Y HN 0.544 nan 8.280 nan 0.000 0.495 597 I N 9.226 129.839 120.570 0.071 0.000 2.441 597 I HA 0.513 4.686 4.170 0.005 0.000 0.295 597 I C -1.700 174.069 176.117 -0.580 0.000 0.994 597 I CA -0.692 60.284 61.300 -0.539 0.000 1.144 597 I CB 1.007 38.625 38.000 -0.635 0.000 1.314 597 I HN 0.676 nan 8.210 nan 0.000 0.445 598 Y N 3.726 123.545 120.300 -0.802 0.000 2.764 598 Y HA 0.439 4.993 4.550 0.006 0.000 0.331 598 Y C -1.830 173.956 175.900 -0.190 0.000 1.280 598 Y CA -1.484 56.390 58.100 -0.376 0.000 1.065 598 Y CB 0.290 38.572 38.460 -0.296 0.000 1.319 598 Y HN 0.332 nan 8.280 nan 0.000 0.453 599 Y N 2.245 122.784 120.300 0.398 0.000 2.587 599 Y HA 0.161 4.714 4.550 0.005 0.000 0.344 599 Y C 1.912 177.872 175.900 0.101 0.000 1.061 599 Y CA 0.882 59.153 58.100 0.284 0.000 1.370 599 Y CB 0.867 39.573 38.460 0.411 0.000 1.163 599 Y HN 0.819 nan 8.280 nan 0.000 0.527 600 S N 2.294 117.984 115.700 -0.017 0.000 2.400 600 S HA -0.408 4.065 4.470 0.005 0.000 0.234 600 S C 1.973 176.604 174.600 0.051 0.000 1.049 600 S CA 1.861 60.064 58.200 0.004 0.000 1.039 600 S CB -0.398 62.786 63.200 -0.027 0.000 0.856 600 S HN 0.830 nan 8.310 nan 0.000 0.465 601 M N 0.977 120.462 119.600 -0.192 0.000 2.267 601 M HA 0.108 4.591 4.480 0.005 0.000 0.263 601 M C 0.390 176.490 176.300 -0.333 0.000 1.063 601 M CA 1.344 56.408 55.300 -0.394 0.000 1.090 601 M CB -0.656 31.523 32.600 -0.702 0.000 1.392 601 M HN 0.344 nan 8.290 nan 0.000 0.422 602 F N -0.505 119.534 119.950 0.148 0.000 2.713 602 F HA 0.440 4.970 4.527 0.005 0.000 0.294 602 F C 1.492 177.225 175.800 -0.112 0.000 1.152 602 F CA -0.355 57.672 58.000 0.046 0.000 1.385 602 F CB -1.494 37.546 39.000 0.067 0.000 0.981 602 F HN 0.100 nan 8.300 nan 0.000 0.514 603 G N -0.185 108.621 108.800 0.010 0.000 3.226 603 G HA2 0.046 4.009 3.960 0.005 0.000 0.190 603 G HA3 0.046 4.009 3.960 0.005 0.000 0.190 603 G C 1.101 175.799 174.900 -0.337 0.000 1.988 603 G CA -0.146 44.731 45.100 -0.370 0.000 0.859 603 G HN 0.126 nan 8.290 nan 0.000 0.631 604 F N 0.921 120.776 119.950 -0.159 0.000 2.192 604 F HA -0.118 4.412 4.527 0.005 0.000 0.301 604 F C 2.912 178.689 175.800 -0.039 0.000 1.079 604 F CA 1.816 59.747 58.000 -0.115 0.000 1.303 604 F CB -0.241 38.663 39.000 -0.159 0.000 1.024 604 F HN 0.313 nan 8.300 nan 0.000 0.494 605 Q N 0.364 120.254 119.800 0.151 0.000 2.124 605 Q HA -0.228 4.115 4.340 0.005 0.000 0.202 605 Q C 2.237 178.301 176.000 0.105 0.000 0.977 605 Q CA 1.563 57.449 55.803 0.138 0.000 0.850 605 Q CB 0.006 28.838 28.738 0.157 0.000 0.901 605 Q HN 0.217 nan 8.270 nan 0.000 0.429 606 R N 0.342 120.891 120.500 0.081 0.000 2.175 606 R HA 0.125 4.469 4.340 0.005 0.000 0.202 606 R C 1.370 177.671 176.300 0.002 0.000 1.018 606 R CA 1.045 57.183 56.100 0.063 0.000 1.029 606 R CB 0.246 30.614 30.300 0.113 0.000 0.959 606 R HN 0.481 nan 8.270 nan 0.000 0.480 607 I N -3.569 116.971 120.570 -0.051 0.000 3.817 607 I HA 0.531 4.704 4.170 0.005 0.000 0.325 607 I C 1.102 177.200 176.117 -0.032 0.000 1.550 607 I CA -0.181 61.077 61.300 -0.070 0.000 1.100 607 I CB 0.869 38.778 38.000 -0.153 0.000 1.216 607 I HN 0.032 nan 8.210 nan 0.000 0.481 608 G N 1.417 110.238 108.800 0.036 0.000 2.503 608 G HA2 -0.325 3.638 3.960 0.005 0.000 0.221 608 G HA3 -0.325 3.638 3.960 0.005 0.000 0.221 608 G C 1.141 176.147 174.900 0.177 0.000 1.131 608 G CA 1.560 46.746 45.100 0.144 0.000 0.756 608 G HN 0.453 nan 8.290 nan 0.000 0.572 609 D N -0.402 120.070 120.400 0.120 0.000 2.178 609 D HA -0.033 4.610 4.640 0.005 0.000 0.202 609 D C 2.319 178.738 176.300 0.200 0.000 0.974 609 D CA 0.090 54.180 54.000 0.150 0.000 0.841 609 D CB -0.199 40.653 40.800 0.088 0.000 0.953 609 D HN 0.191 nan 8.370 nan 0.000 0.478 610 L N -0.006 121.294 121.223 0.128 0.000 2.093 610 L HA -0.135 4.208 4.340 0.005 0.000 0.208 610 L C 1.953 178.910 176.870 0.146 0.000 1.085 610 L CA 1.078 55.988 54.840 0.116 0.000 0.755 610 L CB -0.543 41.537 42.059 0.035 0.000 0.904 610 L HN 0.213 nan 8.230 nan 0.000 0.435 611 C N -0.940 118.441 119.300 0.135 0.000 2.440 611 C HA -0.207 4.256 4.460 0.005 0.000 0.278 611 C C 2.613 177.830 174.990 0.379 0.000 1.295 611 C CA 0.370 59.503 59.018 0.191 0.000 1.738 611 C CB -1.222 26.638 27.740 0.200 0.000 1.987 611 C HN 0.750 nan 8.230 nan 0.000 0.492 612 W N 1.517 122.934 121.300 0.195 0.000 2.381 612 W HA -0.096 4.567 4.660 0.006 0.000 0.301 612 W C 2.375 179.006 176.519 0.186 0.000 1.205 612 W CA 1.558 59.014 57.345 0.185 0.000 1.285 612 W CB -0.444 29.092 29.460 0.127 0.000 1.133 612 W HN 0.329 nan 8.180 nan 0.000 0.521 613 A N 0.843 123.855 122.820 0.320 0.000 1.972 613 A HA -0.055 4.269 4.320 0.005 0.000 0.219 613 A C 2.122 179.805 177.584 0.165 0.000 1.169 613 A CA 2.244 54.416 52.037 0.226 0.000 0.635 613 A CB -1.169 17.979 19.000 0.245 0.000 0.810 613 A HN 0.288 nan 8.150 nan 0.000 0.446 614 A N -0.339 122.592 122.820 0.184 0.000 1.902 614 A HA 0.091 4.414 4.320 0.005 0.000 0.217 614 A C 2.395 180.102 177.584 0.205 0.000 1.181 614 A CA 1.940 54.081 52.037 0.175 0.000 0.623 614 A CB -1.345 17.742 19.000 0.146 0.000 0.818 614 A HN 0.711 nan 8.150 nan 0.000 0.443 615 G N -0.448 108.500 108.800 0.248 0.000 2.408 615 G HA2 -0.264 3.699 3.960 0.005 0.000 0.217 615 G HA3 -0.264 3.699 3.960 0.005 0.000 0.217 615 G C 1.330 176.235 174.900 0.008 0.000 1.150 615 G CA 1.356 46.561 45.100 0.174 0.000 0.776 615 G HN 0.522 nan 8.290 nan 0.000 0.542 616 D N 0.103 120.469 120.400 -0.057 0.000 2.144 616 D HA -0.107 4.537 4.640 0.005 0.000 0.199 616 D C 2.215 178.561 176.300 0.076 0.000 0.984 616 D CA 0.820 54.813 54.000 -0.012 0.000 0.834 616 D CB -0.225 40.605 40.800 0.050 0.000 0.955 616 D HN 0.441 nan 8.370 nan 0.000 0.465 617 Q N -0.393 119.466 119.800 0.097 0.000 2.322 617 Q HA 0.021 4.364 4.340 0.005 0.000 0.203 617 Q C -0.262 175.788 176.000 0.083 0.000 0.923 617 Q CA -0.009 55.846 55.803 0.086 0.000 0.949 617 Q CB 0.052 28.853 28.738 0.105 0.000 1.039 617 Q HN 0.142 nan 8.270 nan 0.000 0.496 618 Q N -1.345 118.524 119.800 0.116 0.000 2.453 618 Q HA -0.215 4.128 4.340 0.005 0.000 0.294 618 Q C -0.629 175.504 176.000 0.223 0.000 1.295 618 Q CA 0.941 56.841 55.803 0.163 0.000 0.853 618 Q CB -2.290 26.552 28.738 0.173 0.000 1.193 618 Q HN 0.500 nan 8.270 nan 0.000 0.461 619 A N 1.192 124.122 122.820 0.183 0.000 2.477 619 A HA 0.382 4.705 4.320 0.005 0.000 0.246 619 A C 0.432 178.104 177.584 0.148 0.000 1.078 619 A CA 0.190 52.275 52.037 0.079 0.000 0.770 619 A CB 0.409 19.343 19.000 -0.111 0.000 1.011 619 A HN 0.321 nan 8.150 nan 0.000 0.494 620 R N 1.854 122.397 120.500 0.071 0.000 2.358 620 R HA 0.553 4.896 4.340 0.005 0.000 0.309 620 R C 0.135 176.467 176.300 0.052 0.000 1.026 620 R CA 0.175 56.297 56.100 0.037 0.000 0.909 620 R CB 1.775 31.924 30.300 -0.253 0.000 1.153 620 R HN 1.051 nan 8.270 nan 0.000 0.515 621 G N 1.642 110.463 108.800 0.034 0.000 2.489 621 G HA2 0.440 4.404 3.960 0.005 0.000 0.305 621 G HA3 0.440 4.404 3.960 0.005 0.000 0.305 621 G C -1.813 173.206 174.900 0.198 0.000 1.311 621 G CA -0.623 44.484 45.100 0.012 0.000 0.813 621 G HN 0.211 nan 8.290 nan 0.000 0.480 622 F N 0.083 120.243 119.950 0.351 0.000 2.482 622 F HA 0.663 5.193 4.527 0.005 0.000 0.331 622 F C 0.233 176.302 175.800 0.448 0.000 1.115 622 F CA -0.675 57.545 58.000 0.367 0.000 0.955 622 F CB 2.206 41.221 39.000 0.025 0.000 1.136 622 F HN 0.108 nan 8.300 nan 0.000 0.452 623 L N 5.076 126.583 121.223 0.474 0.000 2.287 623 L HA 0.503 4.846 4.340 0.005 0.000 0.287 623 L C -0.863 176.123 176.870 0.193 0.000 1.022 623 L CA -0.653 54.281 54.840 0.156 0.000 0.814 623 L CB 1.300 43.385 42.059 0.042 0.000 1.217 623 L HN 0.430 nan 8.230 nan 0.000 0.420 624 I N 3.412 123.905 120.570 -0.128 0.000 2.359 624 I HA 0.246 4.419 4.170 0.005 0.000 0.284 624 I C 0.781 176.387 176.117 -0.851 0.000 1.018 624 I CA -0.256 60.774 61.300 -0.450 0.000 1.173 624 I CB 1.238 38.794 38.000 -0.739 0.000 1.326 624 I HN 0.581 nan 8.210 nan 0.000 0.462 625 G N 5.419 113.835 108.800 -0.640 0.000 2.519 625 G HA2 0.451 4.414 3.960 0.005 0.000 0.306 625 G HA3 0.451 4.414 3.960 0.005 0.000 0.306 625 G C 0.549 175.114 174.900 -0.559 0.000 0.965 625 G CA -0.268 44.419 45.100 -0.688 0.000 1.291 625 G HN 0.731 nan 8.290 nan 0.000 0.450 626 G N 1.340 109.718 108.800 -0.703 0.000 2.621 626 G HA2 0.445 4.408 3.960 0.005 0.000 0.271 626 G HA3 0.445 4.408 3.960 0.005 0.000 0.271 626 G C 1.033 175.875 174.900 -0.096 0.000 1.236 626 G CA 0.467 45.321 45.100 -0.409 0.000 0.958 626 G HN 1.573 nan 8.290 nan 0.000 0.512 627 T N -2.349 112.247 114.554 0.070 0.000 3.580 627 T HA -0.228 4.125 4.350 0.005 0.000 0.376 627 T C 0.675 175.407 174.700 0.054 0.000 0.765 627 T CA 0.866 63.023 62.100 0.095 0.000 1.870 627 T CB -2.581 66.396 68.868 0.182 0.000 1.788 627 T HN 1.661 nan 8.240 nan 0.000 0.692 628 S N -0.302 115.400 115.700 0.003 0.000 2.645 628 S HA 0.719 5.193 4.470 0.005 0.000 0.266 628 S C 0.838 175.412 174.600 -0.044 0.000 1.258 628 S CA -0.163 58.037 58.200 0.000 0.000 0.990 628 S CB 1.413 64.641 63.200 0.048 0.000 0.967 628 S HN 2.388 nan 8.310 nan 0.000 0.556 629 G N 0.554 109.238 108.800 -0.193 0.000 3.039 629 G HA2 -0.108 3.855 3.960 0.005 0.000 0.686 629 G HA3 -0.108 3.855 3.960 0.005 0.000 0.686 629 G C -0.057 174.652 174.900 -0.318 0.000 1.066 629 G CA -0.071 44.789 45.100 -0.400 0.000 0.774 629 G HN 0.861 nan 8.290 nan 0.000 0.591 630 R N 0.578 120.812 120.500 -0.444 0.000 2.081 630 R HA -0.050 4.293 4.340 0.005 0.000 0.235 630 R C 2.953 179.138 176.300 -0.191 0.000 1.131 630 R CA 3.161 59.047 56.100 -0.356 0.000 0.960 630 R CB -0.331 29.590 30.300 -0.631 0.000 0.856 630 R HN 1.087 nan 8.270 nan 0.000 0.436 631 T N -4.013 110.446 114.554 -0.158 0.000 3.081 631 T HA 0.084 4.437 4.350 0.005 0.000 0.250 631 T C 1.379 176.094 174.700 0.024 0.000 1.100 631 T CA 0.843 62.946 62.100 0.004 0.000 1.038 631 T CB 0.169 69.055 68.868 0.030 0.000 0.962 631 T HN 0.145 nan 8.240 nan 0.000 0.516 632 T N 1.889 116.442 114.554 -0.003 0.000 2.937 632 T HA 0.227 4.581 4.350 0.005 0.000 0.260 632 T C 0.686 175.416 174.700 0.049 0.000 1.051 632 T CA 0.135 62.260 62.100 0.041 0.000 1.141 632 T CB -0.192 68.703 68.868 0.046 0.000 0.879 632 T HN 0.256 nan 8.240 nan 0.000 0.459 633 L N 4.601 125.849 121.223 0.041 0.000 2.536 633 L HA 0.320 4.664 4.340 0.005 0.000 0.242 633 L C 1.384 178.287 176.870 0.056 0.000 1.280 633 L CA -0.605 54.272 54.840 0.061 0.000 1.221 633 L CB -0.695 41.419 42.059 0.091 0.000 1.449 633 L HN 0.121 nan 8.230 nan 0.000 0.405 634 N N 0.409 119.143 118.700 0.056 0.000 2.104 634 N HA -0.181 4.562 4.740 0.005 0.000 0.190 634 N C 1.373 176.913 175.510 0.049 0.000 1.024 634 N CA 1.484 54.572 53.050 0.062 0.000 0.853 634 N CB -0.352 38.174 38.487 0.065 0.000 1.008 634 N HN 0.515 nan 8.380 nan 0.000 0.424 635 G N 0.667 109.484 108.800 0.028 0.000 2.494 635 G HA2 -0.109 3.854 3.960 0.005 0.000 0.216 635 G HA3 -0.109 3.854 3.960 0.005 0.000 0.216 635 G C 1.472 176.364 174.900 -0.013 0.000 1.140 635 G CA 0.039 45.144 45.100 0.009 0.000 0.801 635 G HN 0.198 nan 8.290 nan 0.000 0.536 636 E N 0.703 120.880 120.200 -0.038 0.000 2.153 636 E HA 0.063 4.417 4.350 0.005 0.000 0.194 636 E C 1.851 178.450 176.600 -0.001 0.000 0.988 636 E CA 0.796 57.121 56.400 -0.125 0.000 0.811 636 E CB -0.474 29.071 29.700 -0.258 0.000 0.746 636 E HN 0.465 nan 8.360 nan 0.000 0.466 637 G N 0.972 109.816 108.800 0.074 0.000 2.642 637 G HA2 -0.297 3.666 3.960 0.005 0.000 0.231 637 G HA3 -0.297 3.666 3.960 0.005 0.000 0.231 637 G C 0.562 175.573 174.900 0.185 0.000 1.338 637 G CA -0.133 45.039 45.100 0.121 0.000 0.883 637 G HN 0.214 nan 8.290 nan 0.000 0.570 638 L N 0.348 121.678 121.223 0.177 0.000 2.077 638 L HA -0.219 4.124 4.340 0.005 0.000 0.231 638 L C 2.418 179.427 176.870 0.231 0.000 1.100 638 L CA 3.442 58.409 54.840 0.212 0.000 0.819 638 L CB -1.256 40.871 42.059 0.113 0.000 0.913 638 L HN 0.819 nan 8.230 nan 0.000 0.446 639 Q N -2.293 117.634 119.800 0.212 0.000 2.365 639 Q HA -0.047 4.296 4.340 0.005 0.000 0.203 639 Q C 0.991 176.992 176.000 0.001 0.000 0.929 639 Q CA 0.219 56.115 55.803 0.154 0.000 0.948 639 Q CB 0.223 29.045 28.738 0.139 0.000 1.043 639 Q HN 0.690 nan 8.270 nan 0.000 0.505 640 H N -0.776 118.322 119.070 0.046 0.000 2.824 640 H HA 0.155 4.714 4.556 0.005 0.000 0.238 640 H C -0.206 175.084 175.328 -0.063 0.000 0.931 640 H CA -0.199 55.812 56.048 -0.062 0.000 1.090 640 H CB 0.813 30.586 29.762 0.019 0.000 1.433 640 H HN 0.057 nan 8.280 nan 0.000 0.437 641 E N 2.457 122.737 120.200 0.132 0.000 2.161 641 E HA -0.008 4.345 4.350 0.005 0.000 0.263 641 E C -0.697 175.886 176.600 -0.028 0.000 1.185 641 E CA -0.115 56.312 56.400 0.045 0.000 0.938 641 E CB 0.268 30.011 29.700 0.072 0.000 1.023 641 E HN 0.255 nan 8.360 nan 0.000 0.433 642 D N 2.453 122.785 120.400 -0.113 0.000 2.339 642 D HA 0.161 4.804 4.640 0.005 0.000 0.241 642 D C 0.353 176.463 176.300 -0.316 0.000 1.183 642 D CA -0.407 53.460 54.000 -0.221 0.000 0.859 642 D CB 0.774 41.456 40.800 -0.198 0.000 1.067 642 D HN 0.438 nan 8.370 nan 0.000 0.484 643 G N 3.158 111.821 108.800 -0.228 0.000 4.250 643 G HA2 0.072 4.035 3.960 0.005 0.000 0.295 643 G HA3 0.072 4.035 3.960 0.005 0.000 0.295 643 G C 0.368 175.355 174.900 0.144 0.000 1.081 643 G CA -0.461 44.454 45.100 -0.309 0.000 0.854 643 G HN 0.711 nan 8.290 nan 0.000 0.524 644 H N -2.336 116.835 119.070 0.169 0.000 3.749 644 H HA 0.018 4.577 4.556 0.005 0.000 0.266 644 H C 1.504 176.868 175.328 0.061 0.000 1.123 644 H CA 0.654 56.773 56.048 0.118 0.000 1.189 644 H CB -0.539 29.225 29.762 0.004 0.000 1.731 644 H HN 0.238 nan 8.280 nan 0.000 0.863 645 S N 0.538 116.124 115.700 -0.190 0.000 2.419 645 S HA -0.184 4.289 4.470 0.005 0.000 0.233 645 S C 1.515 175.963 174.600 -0.253 0.000 1.016 645 S CA 1.145 59.256 58.200 -0.149 0.000 0.974 645 S CB -0.778 62.415 63.200 -0.011 0.000 0.786 645 S HN 0.470 nan 8.310 nan 0.000 0.492 646 H N 0.812 119.715 119.070 -0.279 0.000 2.495 646 H HA 0.176 4.735 4.556 0.005 0.000 0.287 646 H C 1.747 176.941 175.328 -0.223 0.000 1.033 646 H CA 1.122 56.934 56.048 -0.393 0.000 1.307 646 H CB 0.009 29.108 29.762 -1.106 0.000 1.401 646 H HN 0.394 nan 8.280 nan 0.000 0.555 647 I N 0.557 121.108 120.570 -0.033 0.000 2.617 647 I HA -0.139 4.035 4.170 0.005 0.000 0.256 647 I C 2.000 178.087 176.117 -0.050 0.000 1.167 647 I CA 0.880 62.194 61.300 0.022 0.000 1.469 647 I CB -0.645 37.397 38.000 0.071 0.000 1.098 647 I HN 0.218 nan 8.210 nan 0.000 0.436 648 Q N 0.415 120.142 119.800 -0.122 0.000 2.123 648 Q HA -0.095 4.248 4.340 0.005 0.000 0.196 648 Q C 2.417 178.163 176.000 -0.423 0.000 0.958 648 Q CA 1.727 57.425 55.803 -0.174 0.000 0.841 648 Q CB -0.011 28.676 28.738 -0.086 0.000 0.915 648 Q HN 0.539 nan 8.270 nan 0.000 0.455 649 S N 0.987 116.208 115.700 -0.798 0.000 2.423 649 S HA -0.135 4.338 4.470 0.005 0.000 0.231 649 S C 1.906 176.239 174.600 -0.446 0.000 1.014 649 S CA 1.084 58.610 58.200 -1.122 0.000 0.965 649 S CB -0.431 61.979 63.200 -1.317 0.000 0.785 649 S HN 0.419 nan 8.310 nan 0.000 0.495 650 L N 1.890 122.982 121.223 -0.219 0.000 2.551 650 L HA 0.202 4.545 4.340 0.005 0.000 0.228 650 L C 2.116 178.954 176.870 -0.054 0.000 1.153 650 L CA 1.498 56.283 54.840 -0.091 0.000 0.851 650 L CB -1.987 40.071 42.059 -0.002 0.000 0.959 650 L HN 0.475 nan 8.230 nan 0.000 0.451 651 T N -2.617 111.910 114.554 -0.045 0.000 3.055 651 T HA 0.205 4.558 4.350 0.005 0.000 0.265 651 T C 0.856 175.687 174.700 0.219 0.000 1.111 651 T CA 0.228 62.368 62.100 0.068 0.000 1.118 651 T CB -0.607 68.296 68.868 0.057 0.000 0.909 651 T HN 0.313 nan 8.240 nan 0.000 0.501 652 I N 2.867 123.507 120.570 0.117 0.000 2.301 652 I HA 0.263 4.436 4.170 0.005 0.000 0.292 652 I C -1.561 174.498 176.117 -0.097 0.000 1.046 652 I CA -2.600 58.744 61.300 0.075 0.000 1.282 652 I CB 1.788 39.821 38.000 0.056 0.000 1.409 652 I HN -0.059 nan 8.210 nan 0.000 0.484 653 P HA -0.181 nan 4.420 nan 0.000 0.215 653 P C 0.437 177.638 177.300 -0.166 0.000 1.157 653 P CA 1.412 64.435 63.100 -0.128 0.000 0.874 653 P CB -0.048 31.580 31.700 -0.121 0.000 0.790 654 N N -1.699 116.877 118.700 -0.207 0.000 2.376 654 N HA 0.054 4.797 4.740 0.005 0.000 0.249 654 N C -0.858 174.429 175.510 -0.372 0.000 1.140 654 N CA -0.463 52.465 53.050 -0.203 0.000 0.870 654 N CB -1.129 37.291 38.487 -0.112 0.000 1.124 654 N HN 0.067 nan 8.380 nan 0.000 0.505 655 C N 1.431 120.446 119.300 -0.475 0.000 2.319 655 C HA 0.594 5.058 4.460 0.005 0.000 0.323 655 C C -0.701 174.067 174.990 -0.370 0.000 1.277 655 C CA -1.042 57.565 59.018 -0.686 0.000 1.517 655 C CB -0.595 26.692 27.740 -0.756 0.000 2.206 655 C HN 0.338 nan 8.230 nan 0.000 0.486 656 I N 6.213 126.567 120.570 -0.361 0.000 2.304 656 I HA 0.304 4.478 4.170 0.005 0.000 0.291 656 I C 0.552 176.486 176.117 -0.304 0.000 1.018 656 I CA 0.299 61.336 61.300 -0.439 0.000 1.260 656 I CB 0.874 38.403 38.000 -0.786 0.000 1.390 656 I HN 0.684 nan 8.210 nan 0.000 0.475 657 S N 6.857 122.420 115.700 -0.230 0.000 2.462 657 S HA 0.671 5.145 4.470 0.005 0.000 0.294 657 S C -0.837 173.656 174.600 -0.180 0.000 1.144 657 S CA -0.404 57.806 58.200 0.016 0.000 1.088 657 S CB 0.964 64.305 63.200 0.236 0.000 1.009 657 S HN 0.351 nan 8.310 nan 0.000 0.484 658 Y N 0.722 121.100 120.300 0.130 0.000 2.477 658 Y HA 0.412 4.965 4.550 0.005 0.000 0.347 658 Y C -0.248 175.691 175.900 0.066 0.000 0.981 658 Y CA -0.974 57.169 58.100 0.071 0.000 1.033 658 Y CB 1.826 40.324 38.460 0.063 0.000 1.245 658 Y HN 0.557 nan 8.280 nan 0.000 0.455 659 D N 4.109 124.607 120.400 0.163 0.000 2.502 659 D HA 0.278 4.922 4.640 0.005 0.000 0.301 659 D C -2.891 173.481 176.300 0.121 0.000 1.202 659 D CA -2.178 51.884 54.000 0.103 0.000 0.878 659 D CB 0.833 41.611 40.800 -0.038 0.000 1.062 659 D HN 0.051 nan 8.370 nan 0.000 0.499 660 P HA 0.170 nan 4.420 nan 0.000 0.271 660 P C 0.108 177.404 177.300 -0.006 0.000 1.218 660 P CA -0.189 62.940 63.100 0.050 0.000 0.780 660 P CB 1.966 33.689 31.700 0.039 0.000 0.901 661 A N 2.367 125.103 122.820 -0.139 0.000 2.014 661 A HA 0.144 4.468 4.320 0.005 0.000 0.210 661 A C 0.252 177.694 177.584 -0.236 0.000 1.188 661 A CA 0.979 52.855 52.037 -0.270 0.000 0.731 661 A CB -0.409 18.203 19.000 -0.648 0.000 0.858 661 A HN 0.522 nan 8.150 nan 0.000 0.464 662 Y N -2.365 117.907 120.300 -0.048 0.000 2.549 662 Y HA 0.613 5.166 4.550 0.005 0.000 0.339 662 Y C 1.401 177.164 175.900 -0.227 0.000 1.053 662 Y CA -1.215 56.784 58.100 -0.169 0.000 1.105 662 Y CB 1.295 39.456 38.460 -0.498 0.000 1.258 662 Y HN 0.060 nan 8.280 nan 0.000 0.478 663 A N 1.290 124.143 122.820 0.056 0.000 1.933 663 A HA -0.225 4.098 4.320 0.005 0.000 0.218 663 A C 1.753 179.364 177.584 0.045 0.000 1.175 663 A CA 2.066 54.125 52.037 0.037 0.000 0.628 663 A CB -1.309 17.726 19.000 0.057 0.000 0.814 663 A HN 0.900 nan 8.150 nan 0.000 0.444 664 Y N -0.564 119.801 120.300 0.108 0.000 2.352 664 Y HA 0.045 4.598 4.550 0.005 0.000 0.292 664 Y C 1.771 177.704 175.900 0.055 0.000 1.136 664 Y CA 1.046 59.182 58.100 0.060 0.000 1.227 664 Y CB -0.761 37.718 38.460 0.033 0.000 0.991 664 Y HN 0.379 nan 8.280 nan 0.000 0.545 665 E N 0.792 120.885 120.200 -0.178 0.000 2.072 665 E HA -0.115 4.239 4.350 0.005 0.000 0.191 665 E C 2.270 178.854 176.600 -0.025 0.000 0.985 665 E CA 1.391 57.763 56.400 -0.047 0.000 0.801 665 E CB -0.204 29.444 29.700 -0.087 0.000 0.750 665 E HN 0.364 nan 8.360 nan 0.000 0.452 666 V N 1.457 121.357 119.914 -0.023 0.000 2.392 666 V HA -0.304 3.820 4.120 0.005 0.000 0.249 666 V C 2.283 178.359 176.094 -0.031 0.000 1.059 666 V CA 1.917 64.218 62.300 0.001 0.000 1.051 666 V CB -0.682 31.167 31.823 0.042 0.000 0.658 666 V HN 0.333 nan 8.190 nan 0.000 0.455 667 A N -0.265 122.532 122.820 -0.038 0.000 1.873 667 A HA -0.132 4.191 4.320 0.005 0.000 0.215 667 A C 2.362 179.800 177.584 -0.243 0.000 1.186 667 A CA 1.948 53.892 52.037 -0.156 0.000 0.616 667 A CB -0.623 18.360 19.000 -0.028 0.000 0.823 667 A HN 0.344 nan 8.150 nan 0.000 0.442 668 V N 0.235 120.095 119.914 -0.090 0.000 2.343 668 V HA -0.259 3.864 4.120 0.005 0.000 0.247 668 V C 2.401 178.466 176.094 -0.048 0.000 1.051 668 V CA 1.999 64.269 62.300 -0.050 0.000 1.036 668 V CB -0.762 31.069 31.823 0.013 0.000 0.654 668 V HN 0.555 nan 8.190 nan 0.000 0.451 669 I N -0.687 119.821 120.570 -0.104 0.000 2.252 669 I HA -0.269 3.905 4.170 0.005 0.000 0.245 669 I C 2.502 178.621 176.117 0.003 0.000 1.102 669 I CA 1.779 62.985 61.300 -0.157 0.000 1.385 669 I CB -0.288 37.490 38.000 -0.371 0.000 1.064 669 I HN 0.247 nan 8.210 nan 0.000 0.414 670 M N -0.613 118.974 119.600 -0.020 0.000 2.175 670 M HA -0.213 4.270 4.480 0.005 0.000 0.264 670 M C 2.494 178.751 176.300 -0.072 0.000 1.063 670 M CA 1.524 56.818 55.300 -0.010 0.000 1.119 670 M CB -0.766 31.744 32.600 -0.149 0.000 1.377 670 M HN 0.358 nan 8.290 nan 0.000 0.415 671 H N 0.059 118.933 119.070 -0.326 0.000 2.357 671 H HA -0.177 4.382 4.556 0.005 0.000 0.301 671 H C 1.496 176.793 175.328 -0.052 0.000 1.082 671 H CA 2.062 57.946 56.048 -0.273 0.000 1.342 671 H CB -0.108 29.404 29.762 -0.418 0.000 1.389 671 H HN 0.295 nan 8.280 nan 0.000 0.511 672 D N -0.079 120.233 120.400 -0.146 0.000 2.117 672 D HA -0.090 4.554 4.640 0.005 0.000 0.197 672 D C 2.445 178.657 176.300 -0.145 0.000 0.987 672 D CA 1.612 55.542 54.000 -0.118 0.000 0.829 672 D CB -0.784 40.049 40.800 0.055 0.000 0.961 672 D HN 0.545 nan 8.370 nan 0.000 0.460 673 G N 0.177 108.832 108.800 -0.243 0.000 2.422 673 G HA2 -0.227 3.737 3.960 0.005 0.000 0.218 673 G HA3 -0.227 3.737 3.960 0.005 0.000 0.218 673 G C 1.576 176.332 174.900 -0.239 0.000 1.146 673 G CA 0.765 45.416 45.100 -0.750 0.000 0.769 673 G HN 0.321 nan 8.290 nan 0.000 0.547 674 L N 0.653 121.934 121.223 0.096 0.000 2.017 674 L HA -0.002 4.341 4.340 0.005 0.000 0.208 674 L C 2.692 179.612 176.870 0.083 0.000 1.073 674 L CA 2.400 57.367 54.840 0.211 0.000 0.745 674 L CB -0.564 41.619 42.059 0.206 0.000 0.894 674 L HN 0.318 nan 8.230 nan 0.000 0.432 675 E N -0.365 119.782 120.200 -0.088 0.000 2.047 675 E HA -0.198 4.155 4.350 0.005 0.000 0.191 675 E C 2.357 178.934 176.600 -0.038 0.000 0.987 675 E CA 1.437 57.792 56.400 -0.075 0.000 0.799 675 E CB -0.120 29.463 29.700 -0.195 0.000 0.752 675 E HN 0.356 nan 8.360 nan 0.000 0.449 676 R N -0.614 119.848 120.500 -0.063 0.000 2.083 676 R HA -0.095 4.248 4.340 0.005 0.000 0.237 676 R C 2.578 178.822 176.300 -0.092 0.000 1.137 676 R CA 2.171 58.243 56.100 -0.047 0.000 0.951 676 R CB -0.306 29.999 30.300 0.008 0.000 0.851 676 R HN 0.316 nan 8.270 nan 0.000 0.434 677 M N -1.586 117.932 119.600 -0.137 0.000 2.216 677 M HA -0.070 4.413 4.480 0.005 0.000 0.264 677 M C 0.920 176.926 176.300 -0.490 0.000 1.080 677 M CA 1.502 56.608 55.300 -0.323 0.000 1.153 677 M CB 0.149 32.540 32.600 -0.348 0.000 1.356 677 M HN 0.099 nan 8.290 nan 0.000 0.432 678 Y N 0.035 120.361 120.300 0.043 0.000 2.555 678 Y HA 0.383 4.936 4.550 0.005 0.000 0.259 678 Y C 1.209 177.246 175.900 0.229 0.000 1.179 678 Y CA -0.678 57.532 58.100 0.182 0.000 1.230 678 Y CB -0.095 38.410 38.460 0.075 0.000 1.146 678 Y HN 0.053 nan 8.280 nan 0.000 0.526 679 G N -0.480 108.415 108.800 0.159 0.000 2.557 679 G HA2 0.154 4.118 3.960 0.005 0.000 0.302 679 G HA3 0.154 4.118 3.960 0.005 0.000 0.302 679 G C 0.419 175.337 174.900 0.030 0.000 1.311 679 G CA -0.376 44.790 45.100 0.111 0.000 1.030 679 G HN 0.178 nan 8.290 nan 0.000 0.509 680 E N -0.778 119.426 120.200 0.007 0.000 2.187 680 E HA -0.176 4.178 4.350 0.005 0.000 0.199 680 E C 2.225 178.770 176.600 -0.092 0.000 1.004 680 E CA 1.438 57.808 56.400 -0.050 0.000 0.813 680 E CB 0.058 29.744 29.700 -0.023 0.000 0.736 680 E HN 0.523 nan 8.360 nan 0.000 0.468 681 K N 0.381 120.739 120.400 -0.071 0.000 2.103 681 K HA -0.181 4.142 4.320 0.005 0.000 0.207 681 K C 0.215 176.734 176.600 -0.135 0.000 1.048 681 K CA 1.114 57.351 56.287 -0.084 0.000 0.930 681 K CB 0.107 32.572 32.500 -0.058 0.000 0.716 681 K HN 0.089 nan 8.250 nan 0.000 0.444 682 Q N 1.074 120.764 119.800 -0.183 0.000 2.423 682 Q HA -0.215 4.129 4.340 0.005 0.000 0.332 682 Q C -0.929 174.934 176.000 -0.228 0.000 1.355 682 Q CA 0.632 56.268 55.803 -0.279 0.000 0.947 682 Q CB -1.368 27.146 28.738 -0.374 0.000 1.189 682 Q HN 0.448 nan 8.270 nan 0.000 0.418 683 E N 0.936 121.030 120.200 -0.177 0.000 2.344 683 E HA 0.052 4.405 4.350 0.005 0.000 0.270 683 E C -0.149 176.373 176.600 -0.131 0.000 1.021 683 E CA -0.354 55.975 56.400 -0.117 0.000 0.887 683 E CB 0.572 30.233 29.700 -0.065 0.000 0.997 683 E HN 0.160 nan 8.360 nan 0.000 0.429 684 N N 4.019 122.670 118.700 -0.082 0.000 2.508 684 N HA 0.154 4.898 4.740 0.005 0.000 0.253 684 N C -1.071 174.440 175.510 0.001 0.000 1.145 684 N CA 0.101 53.128 53.050 -0.038 0.000 0.973 684 N CB 1.029 39.521 38.487 0.009 0.000 1.305 684 N HN 0.176 nan 8.380 nan 0.000 0.506 685 V N 2.758 122.687 119.914 0.025 0.000 3.204 685 V HA 0.492 4.616 4.120 0.005 0.000 0.298 685 V C -1.777 174.432 176.094 0.191 0.000 1.328 685 V CA -0.854 61.481 62.300 0.057 0.000 1.035 685 V CB 2.168 34.009 31.823 0.029 0.000 1.095 685 V HN 0.518 nan 8.190 nan 0.000 0.442 686 Y N 2.456 122.852 120.300 0.160 0.000 2.570 686 Y HA 0.871 5.425 4.550 0.005 0.000 0.345 686 Y C -1.617 174.481 175.900 0.331 0.000 1.014 686 Y CA -1.381 56.866 58.100 0.245 0.000 1.063 686 Y CB 1.275 39.968 38.460 0.387 0.000 1.272 686 Y HN 0.505 nan 8.280 nan 0.000 0.477 687 Y N 1.315 121.746 120.300 0.219 0.000 2.457 687 Y HA 0.484 5.037 4.550 0.005 0.000 0.333 687 Y C -1.096 175.082 175.900 0.463 0.000 1.119 687 Y CA -1.470 56.754 58.100 0.207 0.000 1.143 687 Y CB 1.635 40.090 38.460 -0.008 0.000 1.230 687 Y HN 0.690 nan 8.280 nan 0.000 0.469 688 Y N 3.690 124.192 120.300 0.338 0.000 2.322 688 Y HA 0.610 5.163 4.550 0.006 0.000 0.324 688 Y C -1.638 174.429 175.900 0.278 0.000 1.027 688 Y CA -1.699 56.580 58.100 0.298 0.000 1.179 688 Y CB 0.459 39.073 38.460 0.257 0.000 1.136 688 Y HN 0.462 nan 8.280 nan 0.000 0.449 689 I N 5.922 126.401 120.570 -0.152 0.000 2.418 689 I HA 0.376 4.549 4.170 0.005 0.000 0.287 689 I C -0.275 175.549 176.117 -0.488 0.000 1.008 689 I CA -0.940 60.254 61.300 -0.176 0.000 1.104 689 I CB 2.172 40.225 38.000 0.088 0.000 1.264 689 I HN 0.600 nan 8.210 nan 0.000 0.438 690 T N 1.441 115.732 114.554 -0.438 0.000 2.845 690 T HA 0.576 4.929 4.350 0.005 0.000 0.288 690 T C 0.128 174.739 174.700 -0.148 0.000 0.980 690 T CA -0.647 61.252 62.100 -0.336 0.000 1.071 690 T CB 1.293 70.096 68.868 -0.108 0.000 0.941 690 T HN 0.710 nan 8.240 nan 0.000 0.487 691 T N 0.843 115.291 114.554 -0.176 0.000 2.930 691 T HA 0.749 5.102 4.350 0.005 0.000 0.290 691 T C -0.424 174.245 174.700 -0.050 0.000 1.052 691 T CA -1.114 60.924 62.100 -0.104 0.000 1.017 691 T CB 0.972 69.746 68.868 -0.157 0.000 1.137 691 T HN 0.568 nan 8.240 nan 0.000 0.511 692 L N 1.855 123.071 121.223 -0.012 0.000 2.313 692 L HA 0.561 4.905 4.340 0.005 0.000 0.268 692 L C 0.994 177.869 176.870 0.008 0.000 1.010 692 L CA -1.191 53.657 54.840 0.013 0.000 0.814 692 L CB 1.244 43.327 42.059 0.040 0.000 1.304 692 L HN 0.879 nan 8.230 nan 0.000 0.441 693 N N -0.641 118.073 118.700 0.023 0.000 2.203 693 N HA 0.019 4.763 4.740 0.005 0.000 0.207 693 N C -0.160 175.351 175.510 0.003 0.000 1.130 693 N CA -0.173 52.888 53.050 0.018 0.000 0.861 693 N CB 0.463 38.965 38.487 0.026 0.000 1.005 693 N HN 0.698 nan 8.380 nan 0.000 0.507 694 E N 0.807 121.004 120.200 -0.005 0.000 2.175 694 E HA 0.224 4.577 4.350 0.005 0.000 0.278 694 E C -0.982 175.526 176.600 -0.155 0.000 0.969 694 E CA -0.620 55.782 56.400 0.005 0.000 0.796 694 E CB 0.673 30.453 29.700 0.133 0.000 1.104 694 E HN 0.091 nan 8.360 nan 0.000 0.395 695 N N 3.153 121.800 118.700 -0.088 0.000 2.473 695 N HA 0.309 5.052 4.740 0.005 0.000 0.291 695 N C -1.169 174.331 175.510 -0.017 0.000 1.083 695 N CA -0.051 52.910 53.050 -0.150 0.000 0.951 695 N CB 0.944 39.408 38.487 -0.038 0.000 1.164 695 N HN 0.407 nan 8.380 nan 0.000 0.480 696 Y N -2.608 117.744 120.300 0.088 0.000 2.750 696 Y HA 0.293 4.846 4.550 0.005 0.000 0.335 696 Y C -0.334 175.648 175.900 0.136 0.000 1.252 696 Y CA -1.196 56.971 58.100 0.111 0.000 1.064 696 Y CB 0.454 38.979 38.460 0.109 0.000 1.321 696 Y HN 0.440 nan 8.280 nan 0.000 0.451 697 H N 3.342 122.623 119.070 0.351 0.000 3.004 697 H HA 0.181 4.740 4.556 0.005 0.000 0.316 697 H C -0.830 174.667 175.328 0.281 0.000 1.014 697 H CA 0.436 56.620 56.048 0.226 0.000 1.454 697 H CB 0.708 30.548 29.762 0.130 0.000 1.472 697 H HN 0.542 nan 8.280 nan 0.000 0.571 698 M N 8.792 128.171 119.600 -0.369 0.000 2.080 698 M HA 0.231 4.714 4.480 0.005 0.000 0.350 698 M C -2.301 173.706 176.300 -0.488 0.000 1.143 698 M CA -2.487 52.669 55.300 -0.239 0.000 1.064 698 M CB 0.791 33.355 32.600 -0.060 0.000 1.429 698 M HN 0.483 nan 8.290 nan 0.000 0.418 699 P HA 0.228 nan 4.420 nan 0.000 0.273 699 P C -0.484 176.791 177.300 -0.041 0.000 1.250 699 P CA -0.352 62.618 63.100 -0.216 0.000 0.793 699 P CB 0.675 32.264 31.700 -0.186 0.000 1.011 700 A N 1.914 124.684 122.820 -0.082 0.000 2.351 700 A HA 0.350 4.673 4.320 0.005 0.000 0.257 700 A C 0.592 177.880 177.584 -0.495 0.000 1.087 700 A CA -0.607 51.330 52.037 -0.168 0.000 0.798 700 A CB -0.254 18.674 19.000 -0.119 0.000 1.033 700 A HN 0.689 nan 8.150 nan 0.000 0.488 701 M N 2.616 121.720 119.600 -0.827 0.000 2.219 701 M HA 0.248 4.731 4.480 0.005 0.000 0.353 701 M C -2.186 173.755 176.300 -0.599 0.000 1.304 701 M CA -1.434 53.039 55.300 -1.379 0.000 1.115 701 M CB 0.342 32.342 32.600 -1.000 0.000 1.664 701 M HN 0.330 nan 8.290 nan 0.000 0.459 702 P HA 0.025 nan 4.420 nan 0.000 0.268 702 P C -1.206 175.987 177.300 -0.179 0.000 1.204 702 P CA -0.017 62.966 63.100 -0.194 0.000 0.768 702 P CB 0.368 32.032 31.700 -0.061 0.000 0.842 703 E N 2.110 122.239 120.200 -0.119 0.000 2.465 703 E HA 0.175 4.528 4.350 0.005 0.000 0.260 703 E C 1.072 177.628 176.600 -0.073 0.000 0.980 703 E CA 0.823 57.168 56.400 -0.092 0.000 0.927 703 E CB -0.513 29.151 29.700 -0.061 0.000 0.934 703 E HN 0.766 nan 8.360 nan 0.000 0.459 704 G N 2.865 111.622 108.800 -0.072 0.000 2.159 704 G HA2 -0.358 3.606 3.960 0.005 0.000 0.256 704 G HA3 -0.358 3.606 3.960 0.005 0.000 0.256 704 G C 0.775 175.637 174.900 -0.064 0.000 0.977 704 G CA 0.472 45.543 45.100 -0.048 0.000 0.652 704 G HN 0.775 nan 8.290 nan 0.000 0.531 705 A N -0.139 122.599 122.820 -0.137 0.000 2.167 705 A HA 0.399 4.722 4.320 0.005 0.000 0.214 705 A C 1.878 179.337 177.584 -0.209 0.000 1.151 705 A CA 1.781 53.667 52.037 -0.252 0.000 0.735 705 A CB -0.219 18.484 19.000 -0.495 0.000 0.802 705 A HN 0.577 nan 8.150 nan 0.000 0.467 706 E N 0.328 120.462 120.200 -0.110 0.000 2.048 706 E HA -0.275 4.078 4.350 0.005 0.000 0.202 706 E C 1.880 178.475 176.600 -0.007 0.000 1.021 706 E CA 1.743 58.114 56.400 -0.048 0.000 0.825 706 E CB -0.276 29.410 29.700 -0.022 0.000 0.756 706 E HN 0.596 nan 8.360 nan 0.000 0.454 707 E N 0.081 120.291 120.200 0.016 0.000 2.085 707 E HA -0.109 4.244 4.350 0.005 0.000 0.194 707 E C 2.116 178.755 176.600 0.065 0.000 0.994 707 E CA 1.520 57.947 56.400 0.045 0.000 0.801 707 E CB -0.753 28.988 29.700 0.069 0.000 0.743 707 E HN 0.305 nan 8.360 nan 0.000 0.453 708 G N 0.186 109.056 108.800 0.116 0.000 2.422 708 G HA2 -0.203 3.760 3.960 0.005 0.000 0.218 708 G HA3 -0.203 3.760 3.960 0.005 0.000 0.218 708 G C 1.702 176.741 174.900 0.232 0.000 1.140 708 G CA 0.768 46.016 45.100 0.246 0.000 0.775 708 G HN 0.315 nan 8.290 nan 0.000 0.545 709 I N -0.058 120.579 120.570 0.112 0.000 2.252 709 I HA -0.120 4.053 4.170 0.005 0.000 0.245 709 I C 3.033 179.260 176.117 0.184 0.000 1.102 709 I CA 0.855 62.260 61.300 0.175 0.000 1.385 709 I CB -0.101 37.934 38.000 0.059 0.000 1.064 709 I HN 0.072 nan 8.210 nan 0.000 0.414 710 R N 0.531 121.098 120.500 0.111 0.000 2.066 710 R HA -0.104 4.240 4.340 0.005 0.000 0.232 710 R C 2.256 178.638 176.300 0.137 0.000 1.131 710 R CA 0.985 57.168 56.100 0.139 0.000 0.955 710 R CB -0.149 30.196 30.300 0.076 0.000 0.851 710 R HN 0.162 nan 8.270 nan 0.000 0.432 711 K N -1.020 119.341 120.400 -0.064 0.000 2.211 711 K HA -0.007 4.316 4.320 0.005 0.000 0.203 711 K C 1.394 177.860 176.600 -0.224 0.000 1.050 711 K CA 1.414 57.492 56.287 -0.347 0.000 0.945 711 K CB 0.300 32.178 32.500 -1.037 0.000 0.732 711 K HN 0.515 nan 8.250 nan 0.000 0.451 712 G N 0.766 109.562 108.800 -0.007 0.000 2.421 712 G HA2 -0.133 3.831 3.960 0.005 0.000 0.188 712 G HA3 -0.133 3.831 3.960 0.005 0.000 0.188 712 G C 0.108 175.013 174.900 0.009 0.000 1.001 712 G CA -0.073 45.016 45.100 -0.018 0.000 0.693 712 G HN 0.279 nan 8.290 nan 0.000 0.479 713 I N 0.084 120.755 120.570 0.167 0.000 2.828 713 I HA 0.634 4.808 4.170 0.005 0.000 0.295 713 I C -1.735 174.606 176.117 0.374 0.000 1.459 713 I CA -1.472 59.916 61.300 0.148 0.000 1.015 713 I CB 1.913 39.902 38.000 -0.018 0.000 1.345 713 I HN 0.521 nan 8.210 nan 0.000 0.449 714 Y N 3.676 124.102 120.300 0.210 0.000 2.592 714 Y HA 0.468 5.022 4.550 0.005 0.000 0.334 714 Y C -1.550 174.494 175.900 0.240 0.000 1.136 714 Y CA -1.282 56.950 58.100 0.222 0.000 1.042 714 Y CB 0.827 39.400 38.460 0.188 0.000 1.325 714 Y HN 0.510 nan 8.280 nan 0.000 0.457 715 K N 3.108 123.648 120.400 0.233 0.000 2.349 715 K HA 0.301 4.624 4.320 0.005 0.000 0.288 715 K C 0.086 176.691 176.600 0.009 0.000 1.058 715 K CA -0.249 55.997 56.287 -0.068 0.000 0.953 715 K CB 0.649 33.087 32.500 -0.102 0.000 0.997 715 K HN 1.003 nan 8.250 nan 0.000 0.477 716 L N 3.110 124.259 121.223 -0.123 0.000 2.044 716 L HA -0.074 4.269 4.340 0.005 0.000 0.205 716 L C 0.582 177.466 176.870 0.023 0.000 1.075 716 L CA 1.315 56.180 54.840 0.042 0.000 0.747 716 L CB 0.018 42.090 42.059 0.022 0.000 0.903 716 L HN 0.833 nan 8.230 nan 0.000 0.435 717 E N -2.599 117.556 120.200 -0.076 0.000 2.417 717 E HA 0.169 4.522 4.350 0.005 0.000 0.280 717 E C -1.005 175.529 176.600 -0.110 0.000 1.112 717 E CA -0.757 55.609 56.400 -0.058 0.000 0.863 717 E CB 1.352 31.043 29.700 -0.014 0.000 1.346 717 E HN -0.195 nan 8.360 nan 0.000 0.443 718 T N 0.692 115.205 114.554 -0.068 0.000 2.861 718 T HA 0.650 5.003 4.350 0.005 0.000 0.287 718 T C -1.174 173.510 174.700 -0.025 0.000 1.003 718 T CA -0.577 61.486 62.100 -0.062 0.000 0.977 718 T CB 0.650 69.489 68.868 -0.049 0.000 0.996 718 T HN 0.438 nan 8.240 nan 0.000 0.448 719 I N 3.877 124.439 120.570 -0.013 0.000 2.404 719 I HA 0.426 4.600 4.170 0.005 0.000 0.293 719 I C 0.167 176.291 176.117 0.013 0.000 0.992 719 I CA -0.962 60.341 61.300 0.004 0.000 1.149 719 I CB 1.796 39.805 38.000 0.014 0.000 1.315 719 I HN 0.511 nan 8.210 nan 0.000 0.446 720 E N 3.720 123.929 120.200 0.014 0.000 2.383 720 E HA 0.573 4.926 4.350 0.005 0.000 0.264 720 E C 0.033 176.649 176.600 0.027 0.000 1.050 720 E CA -0.166 56.245 56.400 0.018 0.000 0.896 720 E CB 1.430 31.139 29.700 0.014 0.000 0.982 720 E HN 0.801 nan 8.360 nan 0.000 0.424 721 G N -0.112 108.706 108.800 0.030 0.000 2.728 721 G HA2 0.238 4.202 3.960 0.005 0.000 0.294 721 G HA3 0.238 4.202 3.960 0.005 0.000 0.294 721 G C 0.347 175.269 174.900 0.036 0.000 1.398 721 G CA -0.111 45.013 45.100 0.039 0.000 1.183 721 G HN 0.374 nan 8.290 nan 0.000 0.578 722 S N 1.248 116.968 115.700 0.035 0.000 2.496 722 S HA 0.042 4.516 4.470 0.005 0.000 0.224 722 S C 1.544 176.165 174.600 0.035 0.000 0.996 722 S CA 0.363 58.581 58.200 0.031 0.000 0.927 722 S CB 0.114 63.329 63.200 0.025 0.000 0.774 722 S HN 0.416 nan 8.310 nan 0.000 0.524 723 K N 1.229 121.656 120.400 0.046 0.000 2.361 723 K HA 0.360 4.683 4.320 0.005 0.000 0.196 723 K C 1.056 177.684 176.600 0.048 0.000 1.039 723 K CA 0.693 57.011 56.287 0.051 0.000 1.001 723 K CB 0.350 32.892 32.500 0.071 0.000 0.795 723 K HN 0.512 nan 8.250 nan 0.000 0.495 724 G N 0.785 109.614 108.800 0.048 0.000 2.349 724 G HA2 0.366 4.329 3.960 0.005 0.000 0.294 724 G HA3 0.366 4.329 3.960 0.005 0.000 0.294 724 G C -1.986 172.940 174.900 0.044 0.000 1.380 724 G CA -0.710 44.415 45.100 0.042 0.000 0.811 724 G HN -0.048 nan 8.290 nan 0.000 0.519 725 K N -0.837 119.588 120.400 0.041 0.000 2.523 725 K HA 0.777 5.100 4.320 0.005 0.000 0.257 725 K C -0.606 176.025 176.600 0.052 0.000 0.932 725 K CA -0.247 56.068 56.287 0.046 0.000 0.812 725 K CB 2.232 34.757 32.500 0.042 0.000 1.326 725 K HN 1.538 nan 8.250 nan 0.000 0.433 726 V N -0.948 119.004 119.914 0.062 0.000 3.202 726 V HA 0.638 4.762 4.120 0.005 0.000 0.306 726 V C -1.500 174.660 176.094 0.109 0.000 1.283 726 V CA -0.919 61.428 62.300 0.077 0.000 1.065 726 V CB 1.993 33.856 31.823 0.067 0.000 1.079 726 V HN 0.784 nan 8.190 nan 0.000 0.448 727 Q N 1.019 120.909 119.800 0.150 0.000 2.342 727 Q HA 0.800 5.143 4.340 0.005 0.000 0.267 727 Q C -1.559 174.581 176.000 0.233 0.000 1.038 727 Q CA -0.669 55.284 55.803 0.250 0.000 0.832 727 Q CB 2.686 31.602 28.738 0.297 0.000 1.323 727 Q HN 0.709 nan 8.270 nan 0.000 0.448 728 L N 3.245 124.627 121.223 0.265 0.000 2.406 728 L HA 0.531 4.874 4.340 0.005 0.000 0.272 728 L C -1.319 175.714 176.870 0.271 0.000 0.980 728 L CA -0.756 54.208 54.840 0.207 0.000 0.831 728 L CB 1.235 43.366 42.059 0.120 0.000 1.253 728 L HN 0.337 nan 8.230 nan 0.000 0.406 729 L N 2.387 123.758 121.223 0.247 0.000 2.346 729 L HA 0.974 5.317 4.340 0.005 0.000 0.274 729 L C 0.352 177.340 176.870 0.196 0.000 1.007 729 L CA -0.117 54.864 54.840 0.236 0.000 0.818 729 L CB 2.061 44.282 42.059 0.269 0.000 1.284 729 L HN 0.631 nan 8.230 nan 0.000 0.424 730 G N -0.046 108.837 108.800 0.138 0.000 2.692 730 G HA2 0.734 4.697 3.960 0.005 0.000 0.291 730 G HA3 0.734 4.697 3.960 0.005 0.000 0.291 730 G C -1.587 173.369 174.900 0.094 0.000 1.423 730 G CA -0.135 45.047 45.100 0.137 0.000 0.843 730 G HN 0.710 nan 8.290 nan 0.000 0.486 731 S N -1.159 114.629 115.700 0.147 0.000 2.638 731 S HA 0.863 5.337 4.470 0.005 0.000 0.274 731 S C 0.879 175.554 174.600 0.125 0.000 1.157 731 S CA 0.687 58.961 58.200 0.124 0.000 0.826 731 S CB 1.245 64.605 63.200 0.266 0.000 1.139 731 S HN 2.702 nan 8.310 nan 0.000 0.474 732 G N 2.057 110.919 108.800 0.103 0.000 2.602 732 G HA2 -0.352 3.611 3.960 0.005 0.000 0.306 732 G HA3 -0.352 3.611 3.960 0.005 0.000 0.306 732 G C 1.102 176.060 174.900 0.097 0.000 1.301 732 G CA 1.692 46.866 45.100 0.124 0.000 0.974 732 G HN 2.211 nan 8.290 nan 0.000 0.547 733 S N -0.578 115.219 115.700 0.161 0.000 2.515 733 S HA 0.118 4.591 4.470 0.005 0.000 0.231 733 S C 2.103 176.801 174.600 0.163 0.000 0.987 733 S CA 1.428 59.749 58.200 0.201 0.000 0.936 733 S CB 0.108 63.462 63.200 0.258 0.000 0.766 733 S HN 0.523 nan 8.310 nan 0.000 0.528 734 I N 1.191 121.848 120.570 0.146 0.000 3.226 734 I HA 0.146 4.320 4.170 0.005 0.000 0.277 734 I C 2.062 178.263 176.117 0.140 0.000 1.243 734 I CA 0.228 61.645 61.300 0.194 0.000 1.459 734 I CB -1.144 36.922 38.000 0.109 0.000 1.093 734 I HN 0.338 nan 8.210 nan 0.000 0.453 735 L N 2.329 123.566 121.223 0.023 0.000 2.043 735 L HA -0.210 4.134 4.340 0.005 0.000 0.212 735 L C 2.770 179.600 176.870 -0.066 0.000 1.075 735 L CA 1.951 56.767 54.840 -0.039 0.000 0.752 735 L CB -0.673 41.287 42.059 -0.165 0.000 0.891 735 L HN 0.321 nan 8.230 nan 0.000 0.432 736 R N -2.082 118.304 120.500 -0.190 0.000 2.189 736 R HA -0.164 4.179 4.340 0.005 0.000 0.223 736 R C 1.708 177.849 176.300 -0.264 0.000 1.092 736 R CA 1.790 57.736 56.100 -0.257 0.000 0.989 736 R CB -0.820 29.171 30.300 -0.515 0.000 0.876 736 R HN 0.497 nan 8.270 nan 0.000 0.457 737 H N -0.366 118.676 119.070 -0.047 0.000 2.482 737 H HA 0.109 4.669 4.556 0.005 0.000 0.286 737 H C 1.861 177.192 175.328 0.005 0.000 1.017 737 H CA 1.078 57.120 56.048 -0.009 0.000 1.322 737 H CB 0.506 30.272 29.762 0.007 0.000 1.426 737 H HN -0.042 nan 8.280 nan 0.000 0.546 738 V N 0.643 120.621 119.914 0.106 0.000 2.453 738 V HA -0.163 3.960 4.120 0.005 0.000 0.247 738 V C 2.107 178.234 176.094 0.055 0.000 1.048 738 V CA 1.507 63.855 62.300 0.081 0.000 1.049 738 V CB -0.220 31.652 31.823 0.083 0.000 0.672 738 V HN 0.377 nan 8.190 nan 0.000 0.457 739 R N 0.040 120.561 120.500 0.035 0.000 2.092 739 R HA -0.162 4.181 4.340 0.005 0.000 0.231 739 R C 2.335 178.651 176.300 0.027 0.000 1.119 739 R CA 1.477 57.596 56.100 0.032 0.000 0.970 739 R CB -0.264 30.059 30.300 0.040 0.000 0.864 739 R HN 0.620 nan 8.270 nan 0.000 0.440 740 E N 1.021 121.229 120.200 0.014 0.000 2.106 740 E HA -0.163 4.191 4.350 0.005 0.000 0.192 740 E C 1.878 178.502 176.600 0.040 0.000 0.984 740 E CA 1.051 57.463 56.400 0.019 0.000 0.806 740 E CB 0.019 29.724 29.700 0.009 0.000 0.750 740 E HN 0.340 nan 8.360 nan 0.000 0.458 741 A N 1.231 124.076 122.820 0.042 0.000 1.930 741 A HA -0.057 4.266 4.320 0.005 0.000 0.217 741 A C 2.387 180.008 177.584 0.063 0.000 1.175 741 A CA 1.597 53.657 52.037 0.039 0.000 0.627 741 A CB -0.650 18.368 19.000 0.030 0.000 0.815 741 A HN 0.408 nan 8.150 nan 0.000 0.443 742 A N -0.280 122.574 122.820 0.057 0.000 1.933 742 A HA -0.153 4.171 4.320 0.005 0.000 0.218 742 A C 1.941 179.565 177.584 0.067 0.000 1.175 742 A CA 1.750 53.822 52.037 0.059 0.000 0.628 742 A CB -0.369 18.656 19.000 0.041 0.000 0.814 742 A HN 0.452 nan 8.150 nan 0.000 0.444 743 E N 0.014 120.250 120.200 0.060 0.000 2.072 743 E HA -0.102 4.251 4.350 0.005 0.000 0.191 743 E C 2.002 178.653 176.600 0.084 0.000 0.985 743 E CA 0.915 57.350 56.400 0.059 0.000 0.801 743 E CB -0.468 29.259 29.700 0.044 0.000 0.750 743 E HN 0.728 nan 8.360 nan 0.000 0.452 744 I N 0.919 121.555 120.570 0.111 0.000 2.163 744 I HA -0.295 3.879 4.170 0.005 0.000 0.243 744 I C 2.483 178.752 176.117 0.253 0.000 1.085 744 I CA 0.951 62.355 61.300 0.175 0.000 1.347 744 I CB -0.308 37.822 38.000 0.216 0.000 1.044 744 I HN 0.048 nan 8.210 nan 0.000 0.408 745 L N 0.399 121.770 121.223 0.246 0.000 2.012 745 L HA -0.242 4.102 4.340 0.005 0.000 0.210 745 L C 2.819 179.827 176.870 0.229 0.000 1.073 745 L CA 1.610 56.627 54.840 0.295 0.000 0.748 745 L CB -0.697 41.456 42.059 0.157 0.000 0.891 745 L HN 0.260 nan 8.230 nan 0.000 0.431 746 A N -0.224 122.677 122.820 0.134 0.000 1.841 746 A HA -0.203 4.120 4.320 0.005 0.000 0.214 746 A C 2.275 179.896 177.584 0.063 0.000 1.195 746 A CA 1.736 53.826 52.037 0.088 0.000 0.611 746 A CB -0.371 18.665 19.000 0.059 0.000 0.835 746 A HN 0.181 nan 8.150 nan 0.000 0.443 747 K N 0.192 120.621 120.400 0.047 0.000 2.025 747 K HA -0.068 4.255 4.320 0.005 0.000 0.207 747 K C 1.396 177.962 176.600 -0.056 0.000 1.049 747 K CA 1.784 58.075 56.287 0.005 0.000 0.933 747 K CB -0.329 32.178 32.500 0.011 0.000 0.714 747 K HN 0.468 nan 8.250 nan 0.000 0.438 748 D N -1.800 118.536 120.400 -0.106 0.000 2.271 748 D HA -0.007 4.636 4.640 0.005 0.000 0.206 748 D C 0.782 176.695 176.300 -0.645 0.000 0.967 748 D CA 0.919 54.677 54.000 -0.404 0.000 0.867 748 D CB 0.212 40.671 40.800 -0.569 0.000 0.960 748 D HN 0.273 nan 8.370 nan 0.000 0.509 749 Y N -1.280 119.047 120.300 0.045 0.000 2.527 749 Y HA 0.340 4.893 4.550 0.005 0.000 0.247 749 Y C 1.683 177.601 175.900 0.030 0.000 1.138 749 Y CA -0.024 58.098 58.100 0.037 0.000 1.228 749 Y CB 1.062 39.552 38.460 0.050 0.000 1.252 749 Y HN -0.034 nan 8.280 nan 0.000 0.531 750 G N 0.880 109.753 108.800 0.122 0.000 2.155 750 G HA2 -0.279 3.684 3.960 0.005 0.000 0.257 750 G HA3 -0.279 3.684 3.960 0.005 0.000 0.257 750 G C -0.182 174.775 174.900 0.096 0.000 0.983 750 G CA 0.323 45.474 45.100 0.085 0.000 0.676 750 G HN 0.127 nan 8.290 nan 0.000 0.528 751 V N 1.195 121.188 119.914 0.132 0.000 2.406 751 V HA 0.643 4.766 4.120 0.005 0.000 0.272 751 V C 1.343 177.485 176.094 0.080 0.000 1.043 751 V CA 0.096 62.458 62.300 0.102 0.000 0.915 751 V CB 1.052 32.940 31.823 0.109 0.000 0.988 751 V HN 0.618 nan 8.190 nan 0.000 0.466 752 G N 3.824 112.660 108.800 0.059 0.000 2.588 752 G HA2 0.672 4.635 3.960 0.005 0.000 0.281 752 G HA3 0.672 4.635 3.960 0.005 0.000 0.281 752 G C -0.179 174.748 174.900 0.045 0.000 1.236 752 G CA 0.308 45.436 45.100 0.046 0.000 0.969 752 G HN 1.097 nan 8.290 nan 0.000 0.504 753 S N -1.231 114.488 115.700 0.032 0.000 2.627 753 S HA 0.436 4.910 4.470 0.005 0.000 0.268 753 S C -2.195 172.400 174.600 -0.009 0.000 1.130 753 S CA -0.996 57.222 58.200 0.030 0.000 0.819 753 S CB 2.131 65.356 63.200 0.042 0.000 1.100 753 S HN 0.431 nan 8.310 nan 0.000 0.465 754 D N 1.125 121.512 120.400 -0.022 0.000 2.408 754 D HA 0.558 5.201 4.640 0.005 0.000 0.243 754 D C -0.761 175.361 176.300 -0.297 0.000 1.075 754 D CA -0.204 53.684 54.000 -0.187 0.000 0.832 754 D CB 1.997 42.717 40.800 -0.133 0.000 1.162 754 D HN 0.472 nan 8.370 nan 0.000 0.515 755 V N 3.254 122.939 119.914 -0.381 0.000 2.398 755 V HA 0.357 4.480 4.120 0.005 0.000 0.286 755 V C -0.743 175.085 176.094 -0.444 0.000 1.026 755 V CA -0.686 61.462 62.300 -0.253 0.000 0.868 755 V CB 0.489 32.257 31.823 -0.093 0.000 0.982 755 V HN 0.348 nan 8.190 nan 0.000 0.443 756 Y N 1.686 121.951 120.300 -0.058 0.000 2.429 756 Y HA 0.576 5.129 4.550 0.005 0.000 0.342 756 Y C 0.523 176.287 175.900 -0.226 0.000 1.004 756 Y CA -0.724 57.283 58.100 -0.156 0.000 1.075 756 Y CB 2.128 40.512 38.460 -0.128 0.000 1.214 756 Y HN 0.542 nan 8.280 nan 0.000 0.455 757 S N 2.085 117.600 115.700 -0.309 0.000 2.422 757 S HA 0.534 5.007 4.470 0.005 0.000 0.308 757 S C -1.068 173.359 174.600 -0.289 0.000 1.097 757 S CA -0.610 57.392 58.200 -0.330 0.000 1.099 757 S CB 0.015 62.933 63.200 -0.471 0.000 0.976 757 S HN 0.451 nan 8.310 nan 0.000 0.471 758 V N 6.452 126.228 119.914 -0.230 0.000 2.288 758 V HA 0.204 4.327 4.120 0.005 0.000 0.266 758 V C 1.557 177.525 176.094 -0.209 0.000 1.048 758 V CA -0.208 61.870 62.300 -0.370 0.000 0.842 758 V CB 0.141 31.409 31.823 -0.925 0.000 1.064 758 V HN 1.056 nan 8.190 nan 0.000 0.472 759 T N -0.307 114.227 114.554 -0.034 0.000 3.023 759 T HA -0.005 4.348 4.350 0.005 0.000 0.266 759 T C 0.868 175.635 174.700 0.110 0.000 1.093 759 T CA 0.851 63.030 62.100 0.131 0.000 1.129 759 T CB 0.190 69.242 68.868 0.307 0.000 0.899 759 T HN 0.603 nan 8.240 nan 0.000 0.491 760 S N -0.477 115.152 115.700 -0.119 0.000 2.387 760 S HA 0.422 4.895 4.470 0.005 0.000 0.211 760 S C -0.205 174.202 174.600 -0.321 0.000 1.055 760 S CA -0.824 57.217 58.200 -0.265 0.000 1.133 760 S CB -0.425 62.419 63.200 -0.592 0.000 1.235 760 S HN 0.140 nan 8.310 nan 0.000 0.425 761 F N 2.482 122.183 119.950 -0.416 0.000 2.171 761 F HA -0.033 4.497 4.527 0.005 0.000 0.300 761 F C 2.641 178.226 175.800 -0.357 0.000 1.090 761 F CA 1.931 59.629 58.000 -0.503 0.000 1.293 761 F CB -0.421 37.957 39.000 -1.036 0.000 1.013 761 F HN 0.510 nan 8.300 nan 0.000 0.486 762 T N -0.831 113.661 114.554 -0.103 0.000 2.708 762 T HA -0.158 4.195 4.350 0.005 0.000 0.266 762 T C 1.846 176.466 174.700 -0.134 0.000 1.037 762 T CA 1.386 63.447 62.100 -0.065 0.000 1.146 762 T CB -0.180 68.690 68.868 0.002 0.000 0.865 762 T HN 0.111 nan 8.240 nan 0.000 0.435 763 E N 0.986 121.054 120.200 -0.221 0.000 2.150 763 E HA 0.021 4.374 4.350 0.005 0.000 0.193 763 E C 2.252 178.733 176.600 -0.198 0.000 0.985 763 E CA 0.590 56.844 56.400 -0.243 0.000 0.814 763 E CB -0.342 29.151 29.700 -0.344 0.000 0.752 763 E HN 0.474 nan 8.360 nan 0.000 0.466 764 L N 0.142 121.259 121.223 -0.176 0.000 2.109 764 L HA -0.095 4.248 4.340 0.005 0.000 0.207 764 L C 2.487 179.258 176.870 -0.165 0.000 1.086 764 L CA 0.960 55.717 54.840 -0.139 0.000 0.760 764 L CB -0.443 41.549 42.059 -0.112 0.000 0.910 764 L HN 0.045 nan 8.230 nan 0.000 0.437 765 A N 0.288 123.040 122.820 -0.113 0.000 1.877 765 A HA -0.211 4.112 4.320 0.005 0.000 0.216 765 A C 2.369 179.817 177.584 -0.227 0.000 1.186 765 A CA 1.494 53.465 52.037 -0.109 0.000 0.620 765 A CB -0.481 18.531 19.000 0.019 0.000 0.822 765 A HN 0.286 nan 8.150 nan 0.000 0.443 766 R N -0.568 119.836 120.500 -0.160 0.000 2.091 766 R HA -0.187 4.156 4.340 0.005 0.000 0.238 766 R C 2.055 178.241 176.300 -0.190 0.000 1.136 766 R CA 1.781 57.793 56.100 -0.147 0.000 0.959 766 R CB -0.469 29.756 30.300 -0.124 0.000 0.856 766 R HN 0.779 nan 8.270 nan 0.000 0.437 767 D N -0.596 119.676 120.400 -0.212 0.000 2.097 767 D HA -0.112 4.531 4.640 0.005 0.000 0.195 767 D C 1.972 178.100 176.300 -0.287 0.000 0.989 767 D CA 1.558 55.439 54.000 -0.199 0.000 0.827 767 D CB -0.255 40.450 40.800 -0.159 0.000 0.966 767 D HN 0.226 nan 8.370 nan 0.000 0.456 768 G N -0.422 108.055 108.800 -0.539 0.000 2.418 768 G HA2 -0.299 3.665 3.960 0.005 0.000 0.217 768 G HA3 -0.299 3.665 3.960 0.005 0.000 0.217 768 G C 1.635 176.083 174.900 -0.753 0.000 1.158 768 G CA 0.777 45.288 45.100 -0.982 0.000 0.771 768 G HN 0.349 nan 8.290 nan 0.000 0.545 769 Q N 0.097 119.560 119.800 -0.561 0.000 2.084 769 Q HA -0.112 4.231 4.340 0.005 0.000 0.202 769 Q C 2.202 178.184 176.000 -0.031 0.000 0.978 769 Q CA 1.445 57.180 55.803 -0.114 0.000 0.844 769 Q CB -0.093 28.623 28.738 -0.037 0.000 0.898 769 Q HN 0.350 nan 8.270 nan 0.000 0.426 770 D N -0.208 120.150 120.400 -0.070 0.000 2.144 770 D HA -0.121 4.523 4.640 0.005 0.000 0.200 770 D C 1.846 178.184 176.300 0.063 0.000 0.978 770 D CA 0.786 54.788 54.000 0.003 0.000 0.833 770 D CB -0.341 40.437 40.800 -0.037 0.000 0.961 770 D HN 0.255 nan 8.370 nan 0.000 0.470 771 C N 0.973 120.276 119.300 0.004 0.000 2.453 771 C HA -0.046 4.417 4.460 0.005 0.000 0.277 771 C C 2.450 177.548 174.990 0.179 0.000 1.262 771 C CA 0.464 59.518 59.018 0.060 0.000 1.718 771 C CB -0.451 27.284 27.740 -0.007 0.000 2.031 771 C HN 0.315 nan 8.230 nan 0.000 0.480 772 E N 0.442 120.737 120.200 0.159 0.000 2.208 772 E HA -0.111 4.242 4.350 0.005 0.000 0.193 772 E C 2.209 178.914 176.600 0.174 0.000 0.988 772 E CA 0.513 57.028 56.400 0.191 0.000 0.828 772 E CB -0.498 29.342 29.700 0.233 0.000 0.763 772 E HN 0.637 nan 8.360 nan 0.000 0.478 773 R N -0.275 120.324 120.500 0.165 0.000 2.062 773 R HA -0.148 4.196 4.340 0.005 0.000 0.231 773 R C 2.169 178.579 176.300 0.184 0.000 1.136 773 R CA 1.469 57.653 56.100 0.139 0.000 0.948 773 R CB -0.559 29.813 30.300 0.119 0.000 0.845 773 R HN 0.221 nan 8.270 nan 0.000 0.430 774 W N 2.314 123.663 121.300 0.081 0.000 2.338 774 W HA -0.181 4.482 4.660 0.005 0.000 0.304 774 W C 1.629 178.277 176.519 0.216 0.000 1.212 774 W CA 1.791 59.225 57.345 0.149 0.000 1.264 774 W CB -0.218 29.258 29.460 0.028 0.000 1.142 774 W HN 0.205 nan 8.180 nan 0.000 0.512 775 N N 0.263 119.228 118.700 0.442 0.000 2.084 775 N HA -0.267 4.476 4.740 0.005 0.000 0.190 775 N C 1.839 177.372 175.510 0.037 0.000 1.030 775 N CA 2.174 55.393 53.050 0.282 0.000 0.849 775 N CB -1.204 37.451 38.487 0.280 0.000 1.012 775 N HN 0.381 nan 8.380 nan 0.000 0.423 776 M N 0.139 119.761 119.600 0.038 0.000 2.202 776 M HA -0.084 4.399 4.480 0.005 0.000 0.262 776 M C 1.016 177.243 176.300 -0.122 0.000 1.063 776 M CA 1.451 56.737 55.300 -0.024 0.000 1.097 776 M CB 0.015 32.617 32.600 0.002 0.000 1.382 776 M HN 0.041 nan 8.290 nan 0.000 0.413 777 L N -0.944 120.159 121.223 -0.200 0.000 2.558 777 L HA 0.033 4.376 4.340 0.005 0.000 0.225 777 L C 0.053 176.434 176.870 -0.814 0.000 1.128 777 L CA 0.124 54.715 54.840 -0.416 0.000 0.868 777 L CB -0.275 41.547 42.059 -0.395 0.000 1.006 777 L HN 0.369 nan 8.230 nan 0.000 0.454 778 H N -1.278 117.460 119.070 -0.554 0.000 2.511 778 H HA 0.160 4.720 4.556 0.005 0.000 0.228 778 H C -1.719 173.405 175.328 -0.339 0.000 1.424 778 H CA -1.366 54.323 56.048 -0.598 0.000 1.321 778 H CB 0.258 29.251 29.762 -1.281 0.000 1.720 778 H HN -0.098 nan 8.280 nan 0.000 0.512 779 P HA -0.165 nan 4.420 nan 0.000 0.218 779 P C 0.923 178.212 177.300 -0.018 0.000 1.148 779 P CA 0.865 63.929 63.100 -0.061 0.000 0.822 779 P CB 0.629 32.287 31.700 -0.070 0.000 0.784 780 L N -0.798 120.412 121.223 -0.021 0.000 2.509 780 L HA 0.179 4.523 4.340 0.005 0.000 0.222 780 L C 1.449 178.349 176.870 0.050 0.000 1.123 780 L CA 0.659 55.505 54.840 0.011 0.000 0.856 780 L CB -1.238 40.821 42.059 0.001 0.000 0.985 780 L HN 0.012 nan 8.230 nan 0.000 0.456 781 E N -0.530 119.716 120.200 0.076 0.000 2.280 781 E HA 0.200 4.553 4.350 0.005 0.000 0.261 781 E C -0.143 176.588 176.600 0.218 0.000 1.088 781 E CA -0.426 56.075 56.400 0.168 0.000 0.915 781 E CB 0.851 30.709 29.700 0.264 0.000 1.141 781 E HN -0.039 nan 8.360 nan 0.000 0.433 782 T N 3.960 118.650 114.554 0.227 0.000 2.793 782 T HA 0.093 4.447 4.350 0.005 0.000 0.289 782 T C -2.227 172.621 174.700 0.247 0.000 0.956 782 T CA -0.986 61.216 62.100 0.170 0.000 1.177 782 T CB -0.063 68.861 68.868 0.093 0.000 0.897 782 T HN 0.174 nan 8.240 nan 0.000 0.533 783 P HA 0.193 nan 4.420 nan 0.000 0.266 783 P C 0.049 177.414 177.300 0.109 0.000 1.195 783 P CA -0.283 62.955 63.100 0.231 0.000 0.768 783 P CB 0.546 32.334 31.700 0.146 0.000 0.838 784 R N 1.483 122.042 120.500 0.098 0.000 2.357 784 R HA 0.392 4.735 4.340 0.005 0.000 0.296 784 R C -0.796 175.502 176.300 -0.003 0.000 1.052 784 R CA -0.587 55.472 56.100 -0.067 0.000 0.988 784 R CB 0.657 30.846 30.300 -0.186 0.000 1.025 784 R HN 0.235 nan 8.270 nan 0.000 0.469 785 V N 6.469 126.363 119.914 -0.033 0.000 2.370 785 V HA 0.279 4.403 4.120 0.005 0.000 0.279 785 V C -2.058 174.023 176.094 -0.021 0.000 1.029 785 V CA -2.268 60.024 62.300 -0.014 0.000 0.870 785 V CB 1.332 33.138 31.823 -0.028 0.000 0.984 785 V HN 0.730 nan 8.190 nan 0.000 0.451 786 P HA -0.028 nan 4.420 nan 0.000 0.264 786 P C 0.394 177.691 177.300 -0.005 0.000 1.183 786 P CA 0.219 63.306 63.100 -0.022 0.000 0.763 786 P CB 0.339 32.037 31.700 -0.003 0.000 0.807 787 Y N 3.999 124.240 120.300 -0.098 0.000 2.193 787 Y HA -0.231 4.323 4.550 0.005 0.000 0.285 787 Y C 1.979 177.834 175.900 -0.074 0.000 1.166 787 Y CA 1.493 59.547 58.100 -0.077 0.000 1.181 787 Y CB -0.362 38.051 38.460 -0.079 0.000 0.976 787 Y HN 0.328 nan 8.280 nan 0.000 0.520 788 I N -0.373 120.209 120.570 0.019 0.000 2.493 788 I HA -0.232 3.941 4.170 0.005 0.000 0.254 788 I C 2.127 178.154 176.117 -0.149 0.000 1.160 788 I CA 1.347 62.603 61.300 -0.074 0.000 1.445 788 I CB -0.249 37.717 38.000 -0.057 0.000 1.086 788 I HN 0.337 nan 8.210 nan 0.000 0.433 789 A N -0.485 122.271 122.820 -0.107 0.000 2.208 789 A HA -0.063 4.260 4.320 0.005 0.000 0.209 789 A C 1.905 179.413 177.584 -0.127 0.000 1.161 789 A CA 0.509 52.486 52.037 -0.099 0.000 0.782 789 A CB -0.234 18.741 19.000 -0.042 0.000 0.816 789 A HN 0.581 nan 8.150 nan 0.000 0.477 790 Q N -0.973 118.706 119.800 -0.201 0.000 2.319 790 Q HA 0.180 4.523 4.340 0.005 0.000 0.202 790 Q C 0.958 176.810 176.000 -0.246 0.000 0.896 790 Q CA 0.297 55.962 55.803 -0.229 0.000 0.942 790 Q CB 0.624 29.173 28.738 -0.316 0.000 1.083 790 Q HN 0.474 nan 8.270 nan 0.000 0.510 791 V N -0.599 119.178 119.914 -0.228 0.000 3.090 791 V HA 0.139 4.262 4.120 0.005 0.000 0.237 791 V C 0.800 176.873 176.094 -0.034 0.000 1.209 791 V CA 0.480 62.707 62.300 -0.122 0.000 1.209 791 V CB 0.400 32.145 31.823 -0.130 0.000 0.971 791 V HN 0.240 nan 8.190 nan 0.000 0.477 792 M N 1.454 120.946 119.600 -0.181 0.000 2.283 792 M HA 0.316 4.799 4.480 0.005 0.000 0.314 792 M C 0.283 176.546 176.300 -0.061 0.000 1.153 792 M CA 0.116 55.292 55.300 -0.207 0.000 1.084 792 M CB 0.895 33.271 32.600 -0.373 0.000 1.468 792 M HN 0.537 nan 8.290 nan 0.000 0.474 793 N N -0.526 118.173 118.700 -0.001 0.000 3.178 793 N HA 0.326 5.069 4.740 0.005 0.000 0.352 793 N C -0.507 175.000 175.510 -0.004 0.000 1.423 793 N CA -0.670 52.387 53.050 0.011 0.000 0.698 793 N CB 0.282 38.798 38.487 0.049 0.000 1.400 793 N HN 0.607 nan 8.380 nan 0.000 0.586 794 D N -1.575 118.831 120.400 0.010 0.000 2.398 794 D HA 0.219 4.863 4.640 0.005 0.000 0.210 794 D C -0.008 176.306 176.300 0.023 0.000 1.094 794 D CA -0.442 53.562 54.000 0.006 0.000 0.839 794 D CB -0.433 40.369 40.800 0.003 0.000 0.963 794 D HN 0.631 nan 8.370 nan 0.000 0.506 795 A N 1.988 124.833 122.820 0.041 0.000 2.483 795 A HA 0.383 4.707 4.320 0.005 0.000 0.238 795 A C -2.147 175.472 177.584 0.059 0.000 1.070 795 A CA -0.910 51.157 52.037 0.051 0.000 0.770 795 A CB -0.266 18.773 19.000 0.065 0.000 1.008 795 A HN 0.066 nan 8.150 nan 0.000 0.497 796 P HA 0.216 nan 4.420 nan 0.000 0.264 796 P C -0.451 176.908 177.300 0.098 0.000 1.183 796 P CA 0.606 63.747 63.100 0.068 0.000 0.763 796 P CB 0.515 32.245 31.700 0.049 0.000 0.807 797 A N 3.060 125.964 122.820 0.140 0.000 2.355 797 A HA 0.702 5.025 4.320 0.005 0.000 0.324 797 A C -0.914 176.781 177.584 0.186 0.000 1.117 797 A CA -0.647 51.511 52.037 0.202 0.000 0.785 797 A CB 1.445 20.607 19.000 0.270 0.000 1.254 797 A HN 0.321 nan 8.150 nan 0.000 0.453 798 V N 0.436 120.442 119.914 0.154 0.000 2.709 798 V HA 0.787 4.911 4.120 0.005 0.000 0.308 798 V C 0.085 176.235 176.094 0.093 0.000 1.062 798 V CA -0.177 62.154 62.300 0.051 0.000 0.901 798 V CB 1.619 33.465 31.823 0.038 0.000 1.003 798 V HN 1.455 nan 8.190 nan 0.000 0.425 799 A N 2.721 125.537 122.820 -0.006 0.000 2.401 799 A HA 0.961 5.284 4.320 0.005 0.000 0.310 799 A C -0.599 176.992 177.584 0.012 0.000 1.075 799 A CA -0.625 51.464 52.037 0.087 0.000 0.746 799 A CB 2.183 21.280 19.000 0.162 0.000 1.277 799 A HN 0.863 nan 8.150 nan 0.000 0.425 800 S N -0.151 115.598 115.700 0.081 0.000 2.546 800 S HA 0.818 5.291 4.470 0.005 0.000 0.272 800 S C -0.572 174.099 174.600 0.118 0.000 1.140 800 S CA 0.294 58.526 58.200 0.053 0.000 0.920 800 S CB 1.412 64.641 63.200 0.048 0.000 1.083 800 S HN 1.956 nan 8.310 nan 0.000 0.476 801 T N 0.478 115.098 114.554 0.109 0.000 2.816 801 T HA 0.484 4.838 4.350 0.005 0.000 0.299 801 T C -0.474 174.276 174.700 0.084 0.000 1.230 801 T CA -0.526 61.694 62.100 0.200 0.000 1.007 801 T CB 1.474 70.593 68.868 0.418 0.000 1.289 801 T HN 0.297 nan 8.240 nan 0.000 0.508 802 D N -0.303 120.119 120.400 0.037 0.000 2.324 802 D HA 0.240 4.883 4.640 0.005 0.000 0.235 802 D C -0.746 175.190 176.300 -0.606 0.000 1.095 802 D CA 0.220 54.061 54.000 -0.266 0.000 0.871 802 D CB -0.358 40.260 40.800 -0.303 0.000 0.906 802 D HN 0.437 nan 8.370 nan 0.000 0.522 803 Y N -0.183 120.074 120.300 -0.071 0.000 2.587 803 Y HA 0.316 4.869 4.550 0.005 0.000 0.337 803 Y C 0.928 176.784 175.900 -0.072 0.000 1.065 803 Y CA -1.503 56.535 58.100 -0.105 0.000 1.126 803 Y CB 0.784 39.124 38.460 -0.199 0.000 1.279 803 Y HN -0.182 nan 8.280 nan 0.000 0.489 804 M N 0.185 119.824 119.600 0.066 0.000 2.247 804 M HA 0.116 4.599 4.480 0.005 0.000 0.318 804 M C 0.507 176.829 176.300 0.038 0.000 1.054 804 M CA 0.147 55.452 55.300 0.009 0.000 1.117 804 M CB 0.439 33.042 32.600 0.006 0.000 1.515 804 M HN 0.702 nan 8.290 nan 0.000 0.442 805 K N 0.716 121.101 120.400 -0.025 0.000 2.127 805 K HA -0.190 4.134 4.320 0.005 0.000 0.208 805 K C 1.726 178.284 176.600 -0.070 0.000 1.047 805 K CA 1.575 57.823 56.287 -0.065 0.000 0.927 805 K CB -0.477 31.969 32.500 -0.089 0.000 0.716 805 K HN 0.619 nan 8.250 nan 0.000 0.450 806 L N 0.493 121.702 121.223 -0.023 0.000 2.261 806 L HA -0.141 4.202 4.340 0.005 0.000 0.216 806 L C 1.838 178.702 176.870 -0.011 0.000 1.114 806 L CA 1.373 56.202 54.840 -0.019 0.000 0.777 806 L CB -0.473 41.591 42.059 0.009 0.000 0.910 806 L HN 0.099 nan 8.230 nan 0.000 0.440 807 F N 0.154 120.011 119.950 -0.154 0.000 2.134 807 F HA -0.160 4.370 4.527 0.005 0.000 0.299 807 F C 2.171 177.654 175.800 -0.529 0.000 1.097 807 F CA 1.448 59.315 58.000 -0.222 0.000 1.264 807 F CB -0.565 38.346 39.000 -0.149 0.000 1.001 807 F HN 0.150 nan 8.300 nan 0.000 0.479 808 A N -0.925 121.398 122.820 -0.830 0.000 1.997 808 A HA 0.034 4.357 4.320 0.005 0.000 0.212 808 A C 2.078 179.342 177.584 -0.532 0.000 1.178 808 A CA 0.672 51.818 52.037 -1.485 0.000 0.698 808 A CB -0.625 17.711 19.000 -1.105 0.000 0.842 808 A HN 0.399 nan 8.150 nan 0.000 0.458 809 E N 0.346 120.384 120.200 -0.271 0.000 2.338 809 E HA -0.215 4.138 4.350 0.005 0.000 0.197 809 E C 2.001 178.607 176.600 0.011 0.000 1.007 809 E CA 1.009 57.376 56.400 -0.054 0.000 0.849 809 E CB -0.091 29.556 29.700 -0.089 0.000 0.774 809 E HN 0.888 nan 8.360 nan 0.000 0.506 810 Q N -0.098 119.671 119.800 -0.051 0.000 2.439 810 Q HA -0.106 4.237 4.340 0.005 0.000 0.211 810 Q C 1.632 177.702 176.000 0.116 0.000 0.978 810 Q CA 1.393 57.207 55.803 0.019 0.000 0.897 810 Q CB -0.124 28.613 28.738 -0.002 0.000 0.956 810 Q HN 0.269 nan 8.270 nan 0.000 0.483 811 V N -3.220 116.778 119.914 0.139 0.000 3.483 811 V HA 0.267 4.390 4.120 0.005 0.000 0.301 811 V C 1.883 177.993 176.094 0.027 0.000 1.389 811 V CA 0.098 62.539 62.300 0.235 0.000 1.101 811 V CB 0.018 31.975 31.823 0.223 0.000 0.971 811 V HN 0.070 nan 8.190 nan 0.000 0.434 812 R N 2.335 122.833 120.500 -0.003 0.000 2.115 812 R HA -0.171 4.172 4.340 0.005 0.000 0.239 812 R C 2.123 178.262 176.300 -0.269 0.000 1.133 812 R CA 2.920 58.980 56.100 -0.066 0.000 0.935 812 R CB -1.623 28.706 30.300 0.047 0.000 0.853 812 R HN 0.521 nan 8.270 nan 0.000 0.433 813 T N -0.075 114.195 114.554 -0.473 0.000 2.714 813 T HA -0.209 4.144 4.350 0.005 0.000 0.268 813 T C 1.078 175.338 174.700 -0.734 0.000 1.036 813 T CA 2.007 63.683 62.100 -0.706 0.000 1.148 813 T CB -0.398 67.834 68.868 -1.061 0.000 0.856 813 T HN 0.416 nan 8.240 nan 0.000 0.462 814 Y N 0.026 120.281 120.300 -0.075 0.000 2.457 814 Y HA 0.406 4.959 4.550 0.005 0.000 0.263 814 Y C 0.805 176.617 175.900 -0.147 0.000 1.164 814 Y CA -0.924 57.123 58.100 -0.088 0.000 1.274 814 Y CB -0.332 38.087 38.460 -0.068 0.000 1.097 814 Y HN -0.065 nan 8.280 nan 0.000 0.523 815 V N 5.231 125.041 119.914 -0.174 0.000 2.470 815 V HA 0.062 4.185 4.120 0.005 0.000 0.276 815 V C -1.294 174.695 176.094 -0.175 0.000 1.040 815 V CA -1.316 60.821 62.300 -0.273 0.000 1.008 815 V CB 1.100 32.559 31.823 -0.607 0.000 0.990 815 V HN 0.121 nan 8.190 nan 0.000 0.477 816 P HA 0.123 nan 4.420 nan 0.000 0.258 816 P C 0.057 177.320 177.300 -0.062 0.000 1.319 816 P CA 0.369 63.421 63.100 -0.080 0.000 0.785 816 P CB 0.318 31.977 31.700 -0.067 0.000 1.252 817 A N -0.165 122.611 122.820 -0.072 0.000 2.340 817 A HA 0.393 4.716 4.320 0.005 0.000 0.331 817 A C 0.796 178.377 177.584 -0.005 0.000 1.140 817 A CA -0.456 51.566 52.037 -0.025 0.000 0.801 817 A CB 0.839 19.837 19.000 -0.003 0.000 1.234 817 A HN -0.222 nan 8.150 nan 0.000 0.469 818 D N 0.131 120.537 120.400 0.009 0.000 2.144 818 D HA -0.035 4.608 4.640 0.005 0.000 0.200 818 D C -0.240 176.081 176.300 0.035 0.000 0.978 818 D CA 1.630 55.638 54.000 0.014 0.000 0.833 818 D CB 0.278 41.085 40.800 0.011 0.000 0.961 818 D HN 0.544 nan 8.370 nan 0.000 0.470 819 D N -1.345 119.088 120.400 0.054 0.000 2.278 819 D HA 0.166 4.809 4.640 0.005 0.000 0.245 819 D C -1.442 174.951 176.300 0.155 0.000 1.052 819 D CA -0.604 53.441 54.000 0.075 0.000 0.834 819 D CB 0.825 41.653 40.800 0.048 0.000 1.194 819 D HN -0.093 nan 8.370 nan 0.000 0.481 820 Y N 3.677 123.966 120.300 -0.018 0.000 2.541 820 Y HA 0.329 4.882 4.550 0.005 0.000 0.350 820 Y C -0.934 174.954 175.900 -0.020 0.000 1.075 820 Y CA -0.757 57.332 58.100 -0.017 0.000 1.302 820 Y CB 0.383 38.827 38.460 -0.028 0.000 1.094 820 Y HN 0.218 nan 8.280 nan 0.000 0.579 821 R N 3.625 123.993 120.500 -0.221 0.000 2.340 821 R HA 0.598 4.942 4.340 0.005 0.000 0.300 821 R C -1.081 174.961 176.300 -0.430 0.000 1.069 821 R CA -0.661 55.280 56.100 -0.265 0.000 0.984 821 R CB 1.462 31.692 30.300 -0.116 0.000 1.003 821 R HN 0.328 nan 8.270 nan 0.000 0.459 822 V N 5.759 125.427 119.914 -0.411 0.000 2.448 822 V HA 0.368 4.492 4.120 0.005 0.000 0.295 822 V C -0.034 175.937 176.094 -0.206 0.000 1.025 822 V CA -0.712 61.361 62.300 -0.379 0.000 0.859 822 V CB 1.727 33.289 31.823 -0.434 0.000 0.988 822 V HN 0.578 nan 8.190 nan 0.000 0.431 823 L N 3.989 125.124 121.223 -0.147 0.000 2.331 823 L HA 0.975 5.318 4.340 0.005 0.000 0.275 823 L C 0.578 177.392 176.870 -0.094 0.000 1.022 823 L CA -0.198 54.579 54.840 -0.105 0.000 0.812 823 L CB 1.946 43.962 42.059 -0.070 0.000 1.257 823 L HN 0.800 nan 8.230 nan 0.000 0.435 824 G N -0.785 107.959 108.800 -0.093 0.000 2.649 824 G HA2 0.413 4.376 3.960 0.005 0.000 0.290 824 G HA3 0.413 4.376 3.960 0.005 0.000 0.290 824 G C -0.434 174.408 174.900 -0.096 0.000 1.426 824 G CA -0.197 44.857 45.100 -0.077 0.000 0.794 824 G HN 0.485 nan 8.290 nan 0.000 0.483 825 T N -1.056 113.396 114.554 -0.170 0.000 3.268 825 T HA 0.333 4.686 4.350 0.005 0.000 0.244 825 T C -0.316 174.209 174.700 -0.292 0.000 0.915 825 T CA -0.390 61.489 62.100 -0.369 0.000 0.935 825 T CB -0.515 67.923 68.868 -0.717 0.000 1.110 825 T HN 0.282 nan 8.240 nan 0.000 0.573 826 D N 1.579 121.938 120.400 -0.069 0.000 2.472 826 D HA 0.489 5.132 4.640 0.005 0.000 0.237 826 D C 1.025 177.382 176.300 0.096 0.000 1.141 826 D CA 1.381 55.359 54.000 -0.036 0.000 0.875 826 D CB 0.260 41.040 40.800 -0.034 0.000 1.192 826 D HN 0.771 nan 8.370 nan 0.000 0.450 827 G N 0.054 108.862 108.800 0.012 0.000 2.515 827 G HA2 -0.036 3.927 3.960 0.005 0.000 0.686 827 G HA3 -0.036 3.927 3.960 0.005 0.000 0.686 827 G C -0.975 173.994 174.900 0.116 0.000 1.274 827 G CA -1.193 43.976 45.100 0.114 0.000 0.874 827 G HN 0.247 nan 8.290 nan 0.000 0.631 828 F N 1.136 121.216 119.950 0.215 0.000 2.459 828 F HA 0.530 5.060 4.527 0.005 0.000 0.346 828 F C 1.601 177.597 175.800 0.327 0.000 1.128 828 F CA 1.208 59.319 58.000 0.184 0.000 1.268 828 F CB 1.148 40.214 39.000 0.111 0.000 1.161 828 F HN 0.731 nan 8.300 nan 0.000 0.583 829 G N 2.153 111.239 108.800 0.476 0.000 2.562 829 G HA2 0.621 4.584 3.960 0.005 0.000 0.275 829 G HA3 0.621 4.584 3.960 0.005 0.000 0.275 829 G C -0.834 174.236 174.900 0.283 0.000 1.196 829 G CA -0.767 44.590 45.100 0.428 0.000 0.908 829 G HN 0.729 nan 8.290 nan 0.000 0.524 830 R N -1.255 119.366 120.500 0.202 0.000 2.752 830 R HA 0.534 4.877 4.340 0.005 0.000 0.271 830 R C -1.213 175.122 176.300 0.058 0.000 1.026 830 R CA -0.827 55.317 56.100 0.073 0.000 0.901 830 R CB 0.867 31.139 30.300 -0.046 0.000 1.243 830 R HN 0.372 nan 8.270 nan 0.000 0.463 831 S N 0.604 116.317 115.700 0.022 0.000 2.513 831 S HA 0.417 4.890 4.470 0.005 0.000 0.276 831 S C -0.648 173.954 174.600 0.004 0.000 1.254 831 S CA -0.225 57.987 58.200 0.019 0.000 1.053 831 S CB 0.531 63.737 63.200 0.009 0.000 0.958 831 S HN 0.572 nan 8.310 nan 0.000 0.491 832 D N -0.151 120.261 120.400 0.020 0.000 2.918 832 D HA 0.129 4.772 4.640 0.005 0.000 0.342 832 D C -0.929 175.393 176.300 0.036 0.000 1.403 832 D CA -0.336 53.674 54.000 0.017 0.000 0.776 832 D CB 0.903 41.704 40.800 0.001 0.000 1.365 832 D HN 0.534 nan 8.370 nan 0.000 0.468 833 S N -0.299 115.425 115.700 0.040 0.000 2.617 833 S HA 0.406 4.879 4.470 0.005 0.000 0.269 833 S C 1.294 175.935 174.600 0.069 0.000 1.292 833 S CA -0.411 57.820 58.200 0.051 0.000 1.010 833 S CB 1.768 64.997 63.200 0.047 0.000 0.944 833 S HN 0.493 nan 8.310 nan 0.000 0.536 834 R N 0.687 121.232 120.500 0.076 0.000 2.091 834 R HA -0.162 4.181 4.340 0.005 0.000 0.238 834 R C 2.397 178.746 176.300 0.082 0.000 1.136 834 R CA 1.909 58.060 56.100 0.086 0.000 0.959 834 R CB -0.479 29.883 30.300 0.102 0.000 0.856 834 R HN 0.935 nan 8.270 nan 0.000 0.437 835 E N 0.704 120.954 120.200 0.083 0.000 2.038 835 E HA -0.227 4.127 4.350 0.005 0.000 0.195 835 E C 1.659 178.316 176.600 0.096 0.000 1.000 835 E CA 1.510 57.958 56.400 0.080 0.000 0.803 835 E CB 0.011 29.751 29.700 0.067 0.000 0.750 835 E HN 0.199 nan 8.360 nan 0.000 0.448 836 N N 0.268 119.020 118.700 0.087 0.000 2.166 836 N HA -0.124 4.619 4.740 0.005 0.000 0.186 836 N C 1.892 177.488 175.510 0.143 0.000 1.019 836 N CA 0.866 53.979 53.050 0.104 0.000 0.856 836 N CB -0.175 38.348 38.487 0.060 0.000 0.993 836 N HN 0.247 nan 8.380 nan 0.000 0.426 837 L N 0.475 121.779 121.223 0.135 0.000 2.056 837 L HA -0.060 4.283 4.340 0.005 0.000 0.207 837 L C 2.130 179.159 176.870 0.265 0.000 1.078 837 L CA 0.985 55.949 54.840 0.206 0.000 0.749 837 L CB -0.204 41.993 42.059 0.230 0.000 0.901 837 L HN 0.119 nan 8.230 nan 0.000 0.433 838 R N -1.488 119.110 120.500 0.164 0.000 2.237 838 R HA -0.155 4.188 4.340 0.005 0.000 0.219 838 R C 2.007 178.370 176.300 0.104 0.000 1.080 838 R CA 0.721 56.873 56.100 0.087 0.000 0.995 838 R CB -0.229 30.027 30.300 -0.073 0.000 0.875 838 R HN 0.345 nan 8.270 nan 0.000 0.462 839 H N -0.869 118.239 119.070 0.064 0.000 2.431 839 H HA -0.030 4.530 4.556 0.005 0.000 0.295 839 H C 1.924 177.253 175.328 0.003 0.000 1.038 839 H CA 1.393 57.509 56.048 0.114 0.000 1.360 839 H CB 0.159 30.018 29.762 0.163 0.000 1.433 839 H HN 0.249 nan 8.280 nan 0.000 0.536 840 H N -1.023 118.020 119.070 -0.045 0.000 2.389 840 H HA -0.072 4.488 4.556 0.005 0.000 0.299 840 H C 0.872 175.954 175.328 -0.411 0.000 1.081 840 H CA 1.621 57.524 56.048 -0.241 0.000 1.345 840 H CB -0.345 29.225 29.762 -0.320 0.000 1.393 840 H HN 0.256 nan 8.280 nan 0.000 0.520 841 F N 1.587 121.381 119.950 -0.260 0.000 2.731 841 F HA 0.124 4.655 4.527 0.005 0.000 0.304 841 F C 0.220 175.738 175.800 -0.470 0.000 1.133 841 F CA 0.433 58.231 58.000 -0.336 0.000 1.380 841 F CB -0.441 38.475 39.000 -0.141 0.000 1.079 841 F HN 0.229 nan 8.300 nan 0.000 0.550 842 E N -0.591 119.225 120.200 -0.640 0.000 2.183 842 E HA -0.221 4.132 4.350 0.005 0.000 0.196 842 E C 0.630 176.811 176.600 -0.699 0.000 1.364 842 E CA 0.208 55.786 56.400 -1.371 0.000 0.700 842 E CB -1.600 27.361 29.700 -1.232 0.000 1.106 842 E HN 0.300 nan 8.360 nan 0.000 0.347 843 V N 0.164 119.872 119.914 -0.344 0.000 3.392 843 V HA -0.005 4.119 4.120 0.005 0.000 0.294 843 V C 0.237 176.314 176.094 -0.027 0.000 1.561 843 V CA 0.561 62.787 62.300 -0.122 0.000 1.056 843 V CB 0.542 32.311 31.823 -0.091 0.000 0.882 843 V HN 0.519 nan 8.190 nan 0.000 0.440 844 D N 0.224 120.651 120.400 0.045 0.000 2.433 844 D HA 0.367 5.010 4.640 0.005 0.000 0.255 844 D C 1.564 177.930 176.300 0.110 0.000 1.226 844 D CA 0.317 54.353 54.000 0.060 0.000 1.015 844 D CB 1.050 41.921 40.800 0.118 0.000 1.091 844 D HN 0.014 nan 8.370 nan 0.000 0.527 845 A N 0.274 123.156 122.820 0.104 0.000 1.903 845 A HA -0.261 4.063 4.320 0.005 0.000 0.219 845 A C 2.270 179.767 177.584 -0.144 0.000 1.191 845 A CA 2.557 54.608 52.037 0.024 0.000 0.638 845 A CB -1.297 17.723 19.000 0.034 0.000 0.823 845 A HN 0.522 nan 8.150 nan 0.000 0.451 846 S N -1.923 113.628 115.700 -0.248 0.000 2.374 846 S HA -0.202 4.271 4.470 0.005 0.000 0.227 846 S C 1.824 176.158 174.600 -0.442 0.000 1.037 846 S CA 1.884 59.702 58.200 -0.637 0.000 1.024 846 S CB -0.490 62.488 63.200 -0.371 0.000 0.861 846 S HN 0.684 nan 8.310 nan 0.000 0.456 847 Y N 0.497 120.698 120.300 -0.164 0.000 2.337 847 Y HA -0.004 4.549 4.550 0.005 0.000 0.293 847 Y C 2.320 178.165 175.900 -0.091 0.000 1.123 847 Y CA 0.576 58.607 58.100 -0.114 0.000 1.201 847 Y CB -0.329 38.062 38.460 -0.115 0.000 1.011 847 Y HN 0.067 nan 8.280 nan 0.000 0.545 848 V N -1.226 118.721 119.914 0.055 0.000 2.358 848 V HA -0.255 3.869 4.120 0.005 0.000 0.246 848 V C 2.153 178.239 176.094 -0.014 0.000 1.047 848 V CA 1.513 63.829 62.300 0.026 0.000 1.035 848 V CB -0.752 31.093 31.823 0.036 0.000 0.658 848 V HN 0.205 nan 8.190 nan 0.000 0.452 849 V N -0.492 119.381 119.914 -0.070 0.000 2.295 849 V HA -0.213 3.910 4.120 0.005 0.000 0.246 849 V C 2.422 178.477 176.094 -0.065 0.000 1.049 849 V CA 1.909 64.172 62.300 -0.062 0.000 1.024 849 V CB -0.312 31.466 31.823 -0.074 0.000 0.648 849 V HN 0.398 nan 8.190 nan 0.000 0.447 850 V N 0.041 119.919 119.914 -0.060 0.000 2.515 850 V HA -0.222 3.901 4.120 0.005 0.000 0.250 850 V C 2.611 178.684 176.094 -0.035 0.000 1.058 850 V CA 1.859 64.135 62.300 -0.040 0.000 1.064 850 V CB -0.785 31.008 31.823 -0.051 0.000 0.675 850 V HN 0.563 nan 8.190 nan 0.000 0.461 851 A N -0.194 122.617 122.820 -0.016 0.000 1.898 851 A HA -0.067 4.256 4.320 0.005 0.000 0.216 851 A C 2.409 179.983 177.584 -0.016 0.000 1.181 851 A CA 1.932 53.965 52.037 -0.007 0.000 0.620 851 A CB -0.700 18.303 19.000 0.005 0.000 0.819 851 A HN 0.548 nan 8.150 nan 0.000 0.442 852 A N -0.205 122.605 122.820 -0.017 0.000 1.873 852 A HA 0.007 4.330 4.320 0.005 0.000 0.215 852 A C 2.159 179.721 177.584 -0.037 0.000 1.186 852 A CA 1.408 53.438 52.037 -0.012 0.000 0.616 852 A CB -0.631 18.369 19.000 0.000 0.000 0.823 852 A HN 0.454 nan 8.150 nan 0.000 0.442 853 L N -0.593 120.580 121.223 -0.083 0.000 2.083 853 L HA -0.134 4.209 4.340 0.005 0.000 0.209 853 L C 2.805 179.634 176.870 -0.069 0.000 1.083 853 L CA 1.057 55.824 54.840 -0.121 0.000 0.752 853 L CB -0.845 41.074 42.059 -0.235 0.000 0.899 853 L HN 0.500 nan 8.230 nan 0.000 0.433 854 G N -0.343 108.427 108.800 -0.050 0.000 2.422 854 G HA2 -0.232 3.731 3.960 0.005 0.000 0.218 854 G HA3 -0.232 3.731 3.960 0.005 0.000 0.218 854 G C 1.425 176.314 174.900 -0.018 0.000 1.146 854 G CA 0.539 45.621 45.100 -0.030 0.000 0.769 854 G HN 0.426 nan 8.290 nan 0.000 0.547 855 E N -0.086 120.106 120.200 -0.013 0.000 2.106 855 E HA -0.012 4.341 4.350 0.005 0.000 0.192 855 E C 2.533 179.133 176.600 0.001 0.000 0.984 855 E CA 0.435 56.834 56.400 -0.001 0.000 0.806 855 E CB -0.130 29.576 29.700 0.010 0.000 0.750 855 E HN 0.405 nan 8.360 nan 0.000 0.458 856 L N 0.465 121.685 121.223 -0.005 0.000 2.072 856 L HA -0.091 4.252 4.340 0.005 0.000 0.205 856 L C 2.611 179.480 176.870 -0.002 0.000 1.079 856 L CA 0.797 55.636 54.840 -0.000 0.000 0.752 856 L CB -0.445 41.612 42.059 -0.003 0.000 0.906 856 L HN 0.121 nan 8.230 nan 0.000 0.436 857 A N 0.195 123.009 122.820 -0.010 0.000 1.940 857 A HA -0.238 4.085 4.320 0.005 0.000 0.219 857 A C 2.322 179.905 177.584 -0.002 0.000 1.176 857 A CA 1.724 53.757 52.037 -0.007 0.000 0.631 857 A CB -0.390 18.602 19.000 -0.013 0.000 0.814 857 A HN 0.311 nan 8.150 nan 0.000 0.446 858 K N -0.679 119.720 120.400 -0.002 0.000 2.147 858 K HA -0.100 4.224 4.320 0.005 0.000 0.205 858 K C 1.760 178.362 176.600 0.003 0.000 1.049 858 K CA 1.313 57.600 56.287 0.000 0.000 0.936 858 K CB -0.130 32.370 32.500 0.000 0.000 0.722 858 K HN 0.454 nan 8.250 nan 0.000 0.446 859 R N -0.302 120.201 120.500 0.005 0.000 2.313 859 R HA 0.050 4.393 4.340 0.005 0.000 0.199 859 R C 1.058 177.362 176.300 0.008 0.000 0.958 859 R CA 0.482 56.587 56.100 0.008 0.000 1.047 859 R CB 0.232 30.538 30.300 0.011 0.000 0.955 859 R HN 0.302 nan 8.270 nan 0.000 0.481 860 G N 1.314 110.118 108.800 0.006 0.000 2.168 860 G HA2 -0.384 3.579 3.960 0.005 0.000 0.263 860 G HA3 -0.384 3.579 3.960 0.005 0.000 0.263 860 G C 0.693 175.599 174.900 0.010 0.000 0.977 860 G CA 0.750 45.854 45.100 0.007 0.000 0.659 860 G HN 0.456 nan 8.290 nan 0.000 0.533 861 E N -0.313 119.893 120.200 0.011 0.000 2.110 861 E HA 0.169 4.522 4.350 0.005 0.000 0.193 861 E C 1.561 178.171 176.600 0.017 0.000 0.988 861 E CA 1.419 57.828 56.400 0.015 0.000 0.804 861 E CB -0.004 29.705 29.700 0.016 0.000 0.745 861 E HN 0.976 nan 8.360 nan 0.000 0.458 862 I N -4.040 116.538 120.570 0.013 0.000 3.191 862 I HA 0.380 4.553 4.170 0.005 0.000 0.313 862 I C -0.761 175.363 176.117 0.012 0.000 1.193 862 I CA -1.253 60.057 61.300 0.017 0.000 0.968 862 I CB 1.838 39.849 38.000 0.017 0.000 1.262 862 I HN -0.343 nan 8.210 nan 0.000 0.456 863 D N 1.864 122.274 120.400 0.017 0.000 2.382 863 D HA 0.141 4.784 4.640 0.005 0.000 0.245 863 D C 0.506 176.809 176.300 0.005 0.000 1.120 863 D CA 0.067 54.074 54.000 0.012 0.000 0.890 863 D CB 1.784 42.594 40.800 0.017 0.000 1.201 863 D HN 0.582 nan 8.370 nan 0.000 0.433 864 K N 1.792 122.193 120.400 0.002 0.000 2.283 864 K HA -0.103 4.220 4.320 0.005 0.000 0.202 864 K C 1.707 178.306 176.600 -0.002 0.000 1.048 864 K CA 0.907 57.192 56.287 -0.003 0.000 0.948 864 K CB 0.301 32.800 32.500 -0.002 0.000 0.742 864 K HN 0.327 nan 8.250 nan 0.000 0.458 865 K N 0.301 120.703 120.400 0.004 0.000 2.288 865 K HA -0.052 4.271 4.320 0.005 0.000 0.201 865 K C 1.807 178.413 176.600 0.011 0.000 1.048 865 K CA 0.704 56.995 56.287 0.006 0.000 0.956 865 K CB 0.131 32.636 32.500 0.008 0.000 0.746 865 K HN -0.060 nan 8.250 nan 0.000 0.461 866 V N 0.959 120.882 119.914 0.016 0.000 2.427 866 V HA -0.199 3.925 4.120 0.005 0.000 0.248 866 V C 2.164 178.256 176.094 -0.004 0.000 1.051 866 V CA 1.414 63.736 62.300 0.035 0.000 1.048 866 V CB -0.204 31.645 31.823 0.044 0.000 0.666 866 V HN 0.066 nan 8.190 nan 0.000 0.456 867 V N 0.363 120.258 119.914 -0.032 0.000 2.379 867 V HA -0.132 3.991 4.120 0.005 0.000 0.245 867 V C 2.707 178.791 176.094 -0.017 0.000 1.044 867 V CA 1.640 63.913 62.300 -0.045 0.000 1.036 867 V CB -1.267 30.531 31.823 -0.042 0.000 0.664 867 V HN 0.505 nan 8.190 nan 0.000 0.453 868 A N 0.329 123.143 122.820 -0.010 0.000 1.908 868 A HA -0.255 4.068 4.320 0.005 0.000 0.218 868 A C 1.965 179.544 177.584 -0.009 0.000 1.181 868 A CA 2.107 54.141 52.037 -0.006 0.000 0.627 868 A CB -0.606 18.392 19.000 -0.004 0.000 0.818 868 A HN 0.550 nan 8.150 nan 0.000 0.445 869 D N -0.144 120.251 120.400 -0.008 0.000 2.224 869 D HA 0.061 4.705 4.640 0.005 0.000 0.205 869 D C 2.136 178.402 176.300 -0.057 0.000 0.965 869 D CA 1.175 55.162 54.000 -0.022 0.000 0.852 869 D CB -0.280 40.516 40.800 -0.006 0.000 0.947 869 D HN 0.450 nan 8.370 nan 0.000 0.494 870 A N 0.867 123.668 122.820 -0.031 0.000 1.873 870 A HA -0.098 4.225 4.320 0.005 0.000 0.215 870 A C 2.304 179.885 177.584 -0.005 0.000 1.186 870 A CA 0.658 52.657 52.037 -0.064 0.000 0.616 870 A CB -0.664 18.386 19.000 0.082 0.000 0.823 870 A HN 0.119 nan 8.150 nan 0.000 0.442 871 I N -0.010 120.585 120.570 0.041 0.000 2.194 871 I HA -0.330 3.843 4.170 0.005 0.000 0.246 871 I C 2.931 179.061 176.117 0.022 0.000 1.093 871 I CA 1.301 62.625 61.300 0.039 0.000 1.355 871 I CB -0.206 37.795 38.000 0.002 0.000 1.046 871 I HN 0.363 nan 8.210 nan 0.000 0.413 872 A N 0.322 123.131 122.820 -0.018 0.000 1.855 872 A HA -0.263 4.060 4.320 0.005 0.000 0.215 872 A C 2.364 179.912 177.584 -0.061 0.000 1.191 872 A CA 1.957 53.979 52.037 -0.026 0.000 0.613 872 A CB -0.626 18.355 19.000 -0.032 0.000 0.829 872 A HN 0.357 nan 8.150 nan 0.000 0.442 873 K N -1.376 118.924 120.400 -0.167 0.000 2.074 873 K HA -0.174 4.149 4.320 0.005 0.000 0.209 873 K C 0.906 177.354 176.600 -0.253 0.000 1.048 873 K CA 1.827 57.938 56.287 -0.293 0.000 0.926 873 K CB -0.314 31.866 32.500 -0.533 0.000 0.713 873 K HN 0.368 nan 8.250 nan 0.000 0.444 874 F N 1.698 121.658 119.950 0.017 0.000 2.731 874 F HA 0.145 4.675 4.527 0.005 0.000 0.304 874 F C 0.135 175.959 175.800 0.039 0.000 1.133 874 F CA -0.205 57.806 58.000 0.018 0.000 1.380 874 F CB -0.493 38.504 39.000 -0.005 0.000 1.079 874 F HN 0.085 nan 8.300 nan 0.000 0.550 875 N N 1.156 119.953 118.700 0.161 0.000 2.714 875 N HA -0.242 4.502 4.740 0.005 0.000 0.252 875 N C -0.362 175.295 175.510 0.245 0.000 1.014 875 N CA 0.577 53.713 53.050 0.144 0.000 0.735 875 N CB -1.411 37.133 38.487 0.097 0.000 0.924 875 N HN 0.318 nan 8.380 nan 0.000 0.540 876 I N 0.135 120.802 120.570 0.161 0.000 2.385 876 I HA 0.097 4.270 4.170 0.005 0.000 0.294 876 I C 0.593 176.755 176.117 0.076 0.000 0.988 876 I CA -0.531 60.812 61.300 0.073 0.000 1.265 876 I CB 1.175 39.064 38.000 -0.186 0.000 1.388 876 I HN -0.080 nan 8.210 nan 0.000 0.480 877 D N 5.576 126.038 120.400 0.102 0.000 2.456 877 D HA 0.302 4.945 4.640 0.005 0.000 0.219 877 D C 0.777 177.115 176.300 0.063 0.000 1.126 877 D CA -0.214 53.832 54.000 0.078 0.000 0.890 877 D CB 1.589 42.438 40.800 0.082 0.000 1.025 877 D HN 0.615 nan 8.370 nan 0.000 0.511 878 A N 3.627 126.473 122.820 0.044 0.000 2.070 878 A HA -0.116 4.207 4.320 0.005 0.000 0.220 878 A C 1.271 178.872 177.584 0.028 0.000 1.159 878 A CA 1.033 53.093 52.037 0.037 0.000 0.656 878 A CB 0.151 19.165 19.000 0.023 0.000 0.800 878 A HN 0.517 nan 8.150 nan 0.000 0.453 879 D N -0.289 120.127 120.400 0.026 0.000 2.440 879 D HA 0.078 4.721 4.640 0.005 0.000 0.216 879 D C 0.084 176.393 176.300 0.014 0.000 1.150 879 D CA -0.026 53.984 54.000 0.017 0.000 0.832 879 D CB 0.215 41.024 40.800 0.015 0.000 0.992 879 D HN 0.706 nan 8.370 nan 0.000 0.502 880 K N 0.361 120.771 120.400 0.017 0.000 2.276 880 K HA 0.256 4.579 4.320 0.005 0.000 0.259 880 K C 0.473 177.068 176.600 -0.009 0.000 1.001 880 K CA -0.606 55.687 56.287 0.011 0.000 0.927 880 K CB 1.441 33.949 32.500 0.014 0.000 0.969 880 K HN -0.245 nan 8.250 nan 0.000 0.490 881 V N 1.953 121.864 119.914 -0.006 0.000 2.872 881 V HA -0.076 4.047 4.120 0.005 0.000 0.307 881 V C 0.193 176.259 176.094 -0.047 0.000 1.072 881 V CA -0.234 62.059 62.300 -0.013 0.000 1.148 881 V CB 0.615 32.442 31.823 0.007 0.000 0.954 881 V HN 0.933 nan 8.190 nan 0.000 0.490 882 N N 6.580 125.254 118.700 -0.043 0.000 2.411 882 N HA 0.084 4.828 4.740 0.005 0.000 0.261 882 N C -1.730 173.732 175.510 -0.079 0.000 1.248 882 N CA -1.014 51.995 53.050 -0.068 0.000 0.885 882 N CB 1.450 39.912 38.487 -0.041 0.000 1.062 882 N HN 0.438 nan 8.380 nan 0.000 0.471 883 P HA -0.166 nan 4.420 nan 0.000 0.218 883 P C 1.204 178.519 177.300 0.025 0.000 1.146 883 P CA 1.128 64.115 63.100 -0.187 0.000 0.813 883 P CB 0.154 31.638 31.700 -0.360 0.000 0.778 884 R N 0.174 120.683 120.500 0.014 0.000 2.096 884 R HA -0.057 4.287 4.340 0.005 0.000 0.235 884 R C 1.717 178.046 176.300 0.048 0.000 1.127 884 R CA 1.185 57.299 56.100 0.024 0.000 0.968 884 R CB -0.600 29.690 30.300 -0.017 0.000 0.861 884 R HN 0.205 nan 8.270 nan 0.000 0.440 885 L N 0.417 121.665 121.223 0.041 0.000 2.592 885 L HA 0.282 4.626 4.340 0.005 0.000 0.227 885 L C 1.105 178.026 176.870 0.085 0.000 1.127 885 L CA -0.292 54.584 54.840 0.060 0.000 0.884 885 L CB -0.015 42.062 42.059 0.030 0.000 1.065 885 L HN 0.144 nan 8.230 nan 0.000 0.457 886 A N 0.000 122.880 122.820 0.100 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.105 52.037 0.113 0.000 0.836 886 A CB 0.000 19.097 19.000 0.161 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486