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 2qtc_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 0.000 176.132 176.117 0.025 0.000 1.063 56 I CA 0.000 61.312 61.300 0.021 0.000 1.566 56 I CB 0.000 38.014 38.000 0.024 0.000 1.214 57 S N 3.883 119.600 115.700 0.028 0.000 2.766 57 S HA 0.607 5.080 4.470 0.005 0.000 0.307 57 S C -0.021 174.615 174.600 0.060 0.000 1.121 57 S CA -0.797 57.422 58.200 0.031 0.000 0.980 57 S CB 1.586 64.794 63.200 0.013 0.000 1.159 57 S HN 0.677 nan 8.310 nan 0.000 0.546 58 N N 0.361 119.101 118.700 0.067 0.000 2.374 58 N HA 0.027 4.770 4.740 0.005 0.000 0.241 58 N C -0.781 174.824 175.510 0.159 0.000 1.262 58 N CA 0.200 53.318 53.050 0.113 0.000 0.880 58 N CB -0.270 38.277 38.487 0.099 0.000 1.105 58 N HN 0.711 nan 8.380 nan 0.000 0.438 59 Y N 2.194 122.531 120.300 0.061 0.000 2.971 59 Y HA 0.228 4.781 4.550 0.005 0.000 0.384 59 Y C 0.320 176.322 175.900 0.169 0.000 1.166 59 Y CA -0.257 57.879 58.100 0.060 0.000 1.973 59 Y CB -0.804 37.730 38.460 0.123 0.000 2.082 59 Y HN 0.330 nan 8.280 nan 0.000 0.420 60 I N -2.804 117.790 120.570 0.039 0.000 3.279 60 I HA 0.506 4.679 4.170 0.005 0.000 0.315 60 I C -0.699 175.373 176.117 -0.075 0.000 1.187 60 I CA -1.647 59.713 61.300 0.100 0.000 0.953 60 I CB 1.336 39.454 38.000 0.197 0.000 1.279 60 I HN -0.221 nan 8.210 nan 0.000 0.465 61 N N 1.807 120.493 118.700 -0.025 0.000 2.412 61 N HA 0.077 4.820 4.740 0.005 0.000 0.254 61 N C 0.802 176.284 175.510 -0.046 0.000 1.232 61 N CA 0.166 53.172 53.050 -0.072 0.000 0.880 61 N CB 0.852 39.337 38.487 -0.003 0.000 1.076 61 N HN 0.677 nan 8.380 nan 0.000 0.458 62 T N 1.510 116.016 114.554 -0.080 0.000 2.821 62 T HA 0.026 4.380 4.350 0.005 0.000 0.267 62 T C 1.003 175.688 174.700 -0.026 0.000 1.046 62 T CA 0.839 62.904 62.100 -0.057 0.000 1.139 62 T CB -0.006 68.811 68.868 -0.084 0.000 0.871 62 T HN 0.419 nan 8.240 nan 0.000 0.454 63 I N 3.967 124.525 120.570 -0.020 0.000 2.291 63 I HA 0.239 4.412 4.170 0.005 0.000 0.290 63 I C -2.082 174.055 176.117 0.035 0.000 1.050 63 I CA -2.448 58.856 61.300 0.007 0.000 1.245 63 I CB 1.166 39.171 38.000 0.008 0.000 1.405 63 I HN 0.033 nan 8.210 nan 0.000 0.478 64 P HA 0.051 nan 4.420 nan 0.000 0.272 64 P C 1.096 178.437 177.300 0.070 0.000 1.230 64 P CA -0.253 62.884 63.100 0.060 0.000 0.788 64 P CB 1.503 33.235 31.700 0.054 0.000 0.949 65 V N 1.516 121.481 119.914 0.084 0.000 2.380 65 V HA -0.240 3.883 4.120 0.005 0.000 0.251 65 V C 2.302 178.440 176.094 0.075 0.000 1.063 65 V CA 2.269 64.621 62.300 0.087 0.000 1.055 65 V CB -1.373 30.508 31.823 0.095 0.000 0.657 65 V HN 0.642 nan 8.190 nan 0.000 0.455 66 E N 0.550 120.789 120.200 0.065 0.000 2.516 66 E HA -0.180 4.173 4.350 0.005 0.000 0.199 66 E C 1.272 177.904 176.600 0.053 0.000 1.069 66 E CA 0.786 57.220 56.400 0.056 0.000 0.876 66 E CB -0.218 29.511 29.700 0.048 0.000 0.843 66 E HN 0.741 nan 8.360 nan 0.000 0.530 67 E N 0.401 120.634 120.200 0.056 0.000 2.583 67 E HA 0.059 4.412 4.350 0.005 0.000 0.213 67 E C 0.053 176.693 176.600 0.067 0.000 0.989 67 E CA -0.217 56.215 56.400 0.052 0.000 0.991 67 E CB 0.622 30.346 29.700 0.041 0.000 1.040 67 E HN 0.156 nan 8.360 nan 0.000 0.481 68 Q N 2.747 122.596 119.800 0.081 0.000 2.279 68 Q HA 0.186 4.529 4.340 0.005 0.000 0.256 68 Q C -2.194 173.880 176.000 0.124 0.000 0.937 68 Q CA -2.033 53.836 55.803 0.111 0.000 0.933 68 Q CB 0.769 29.575 28.738 0.114 0.000 1.189 68 Q HN -0.068 nan 8.270 nan 0.000 0.417 69 P HA 0.037 nan 4.420 nan 0.000 0.274 69 P C -0.863 176.515 177.300 0.130 0.000 1.237 69 P CA -0.276 62.920 63.100 0.160 0.000 0.793 69 P CB 0.728 32.571 31.700 0.239 0.000 0.977 70 E N 0.757 120.997 120.200 0.065 0.000 2.384 70 E HA -0.041 4.313 4.350 0.005 0.000 0.266 70 E C -0.876 175.676 176.600 -0.080 0.000 1.012 70 E CA -0.381 56.032 56.400 0.023 0.000 0.901 70 E CB 0.161 29.864 29.700 0.005 0.000 0.967 70 E HN 0.332 nan 8.360 nan 0.000 0.435 71 Y N 6.665 126.835 120.300 -0.218 0.000 2.442 71 Y HA 0.092 4.646 4.550 0.006 0.000 0.330 71 Y C -1.490 174.168 175.900 -0.404 0.000 1.129 71 Y CA -1.595 56.235 58.100 -0.451 0.000 1.365 71 Y CB 1.024 39.319 38.460 -0.275 0.000 1.233 71 Y HN 0.511 nan 8.280 nan 0.000 0.529 72 P HA 0.111 nan 4.420 nan 0.000 0.230 72 P C 0.389 177.490 177.300 -0.333 0.000 1.168 72 P CA 0.644 63.388 63.100 -0.594 0.000 0.793 72 P CB 0.497 31.840 31.700 -0.594 0.000 0.851 73 G N 0.528 109.055 108.800 -0.455 0.000 2.557 73 G HA2 0.169 4.132 3.960 0.005 0.000 0.302 73 G HA3 0.169 4.132 3.960 0.005 0.000 0.302 73 G C -0.539 174.561 174.900 0.333 0.000 1.311 73 G CA -0.417 44.819 45.100 0.227 0.000 1.030 73 G HN 0.039 nan 8.290 nan 0.000 0.509 74 N N 0.535 119.419 118.700 0.306 0.000 2.719 74 N HA 0.123 4.866 4.740 0.005 0.000 0.243 74 N C 1.674 177.193 175.510 0.015 0.000 1.104 74 N CA -0.272 52.819 53.050 0.068 0.000 0.981 74 N CB 0.545 38.947 38.487 -0.142 0.000 1.290 74 N HN 0.392 nan 8.380 nan 0.000 0.513 75 L N 2.038 123.311 121.223 0.083 0.000 2.021 75 L HA -0.258 4.085 4.340 0.005 0.000 0.215 75 L C 1.700 178.548 176.870 -0.038 0.000 1.074 75 L CA 1.538 56.375 54.840 -0.005 0.000 0.760 75 L CB -0.135 41.874 42.059 -0.083 0.000 0.889 75 L HN 0.409 nan 8.230 nan 0.000 0.433 76 E N -0.007 120.164 120.200 -0.048 0.000 2.051 76 E HA -0.215 4.138 4.350 0.005 0.000 0.192 76 E C 2.154 178.699 176.600 -0.091 0.000 0.991 76 E CA 1.059 57.429 56.400 -0.051 0.000 0.799 76 E CB -0.369 29.305 29.700 -0.042 0.000 0.748 76 E HN 0.369 nan 8.360 nan 0.000 0.449 77 L N 0.684 121.799 121.223 -0.180 0.000 2.093 77 L HA -0.176 4.167 4.340 0.005 0.000 0.208 77 L C 2.021 178.712 176.870 -0.298 0.000 1.085 77 L CA 1.377 56.042 54.840 -0.291 0.000 0.755 77 L CB -0.098 41.660 42.059 -0.501 0.000 0.904 77 L HN 0.187 nan 8.230 nan 0.000 0.435 78 E N -0.544 119.498 120.200 -0.264 0.000 2.077 78 E HA -0.271 4.082 4.350 0.005 0.000 0.193 78 E C 2.220 178.825 176.600 0.009 0.000 0.989 78 E CA 0.804 57.150 56.400 -0.089 0.000 0.800 78 E CB -0.117 29.628 29.700 0.075 0.000 0.746 78 E HN 0.338 nan 8.360 nan 0.000 0.452 79 R N 1.135 121.645 120.500 0.018 0.000 2.096 79 R HA -0.114 4.229 4.340 0.005 0.000 0.235 79 R C 2.253 178.610 176.300 0.095 0.000 1.127 79 R CA 1.108 57.255 56.100 0.078 0.000 0.968 79 R CB -0.105 30.240 30.300 0.076 0.000 0.861 79 R HN 0.067 nan 8.270 nan 0.000 0.440 80 R N 0.113 120.638 120.500 0.042 0.000 2.073 80 R HA -0.080 4.263 4.340 0.005 0.000 0.234 80 R C 2.369 178.758 176.300 0.148 0.000 1.134 80 R CA 1.677 57.824 56.100 0.078 0.000 0.952 80 R CB -0.213 30.083 30.300 -0.006 0.000 0.850 80 R HN 0.235 nan 8.270 nan 0.000 0.433 81 I N -0.319 120.264 120.570 0.022 0.000 2.252 81 I HA -0.242 3.931 4.170 0.005 0.000 0.245 81 I C 2.669 178.916 176.117 0.216 0.000 1.102 81 I CA 0.972 62.323 61.300 0.085 0.000 1.385 81 I CB -0.285 37.679 38.000 -0.060 0.000 1.064 81 I HN 0.186 nan 8.210 nan 0.000 0.414 82 R N 0.802 121.397 120.500 0.158 0.000 2.096 82 R HA -0.149 4.195 4.340 0.005 0.000 0.235 82 R C 2.365 178.760 176.300 0.159 0.000 1.127 82 R CA 1.761 57.960 56.100 0.165 0.000 0.968 82 R CB -0.071 30.314 30.300 0.141 0.000 0.861 82 R HN 0.192 nan 8.270 nan 0.000 0.440 83 S N 0.189 115.994 115.700 0.176 0.000 2.382 83 S HA -0.100 4.373 4.470 0.005 0.000 0.228 83 S C 1.867 176.602 174.600 0.225 0.000 1.027 83 S CA 1.086 59.388 58.200 0.170 0.000 0.991 83 S CB -0.060 63.282 63.200 0.236 0.000 0.823 83 S HN 0.567 nan 8.310 nan 0.000 0.469 84 A N 1.217 124.207 122.820 0.284 0.000 1.969 84 A HA 0.047 4.371 4.320 0.005 0.000 0.218 84 A C 2.009 179.779 177.584 0.310 0.000 1.169 84 A CA 0.877 53.082 52.037 0.280 0.000 0.635 84 A CB -0.544 18.622 19.000 0.276 0.000 0.810 84 A HN 0.486 nan 8.150 nan 0.000 0.445 85 I N -0.936 119.806 120.570 0.288 0.000 2.252 85 I HA -0.239 3.934 4.170 0.005 0.000 0.245 85 I C 2.745 179.041 176.117 0.298 0.000 1.102 85 I CA 1.156 62.617 61.300 0.267 0.000 1.385 85 I CB -0.364 37.792 38.000 0.260 0.000 1.064 85 I HN 0.291 nan 8.210 nan 0.000 0.414 86 R N 0.047 120.704 120.500 0.261 0.000 2.083 86 R HA -0.233 4.110 4.340 0.005 0.000 0.237 86 R C 2.260 178.685 176.300 0.208 0.000 1.137 86 R CA 1.938 58.154 56.100 0.194 0.000 0.951 86 R CB -0.549 29.663 30.300 -0.147 0.000 0.851 86 R HN 0.558 nan 8.270 nan 0.000 0.434 87 W N 2.173 123.507 121.300 0.057 0.000 2.354 87 W HA -0.187 4.476 4.660 0.005 0.000 0.315 87 W C 1.243 177.810 176.519 0.080 0.000 1.206 87 W CA 1.373 58.758 57.345 0.066 0.000 1.290 87 W CB -0.324 29.177 29.460 0.069 0.000 1.152 87 W HN 0.112 nan 8.180 nan 0.000 0.489 88 N N 0.840 119.704 118.700 0.273 0.000 2.205 88 N HA -0.151 4.592 4.740 0.005 0.000 0.186 88 N C 1.797 177.310 175.510 0.005 0.000 1.015 88 N CA 2.000 55.155 53.050 0.175 0.000 0.862 88 N CB -0.901 37.723 38.487 0.228 0.000 0.986 88 N HN 0.206 nan 8.380 nan 0.000 0.429 89 A N 0.885 123.702 122.820 -0.005 0.000 1.873 89 A HA -0.018 4.305 4.320 0.005 0.000 0.215 89 A C 2.337 179.845 177.584 -0.127 0.000 1.186 89 A CA 0.799 52.780 52.037 -0.093 0.000 0.616 89 A CB -0.589 18.390 19.000 -0.035 0.000 0.823 89 A HN 0.192 nan 8.150 nan 0.000 0.442 90 I N -0.482 120.017 120.570 -0.118 0.000 2.226 90 I HA -0.266 3.907 4.170 0.005 0.000 0.245 90 I C 2.556 178.501 176.117 -0.287 0.000 1.100 90 I CA 1.052 62.244 61.300 -0.181 0.000 1.374 90 I CB -0.229 37.652 38.000 -0.198 0.000 1.057 90 I HN 0.265 nan 8.210 nan 0.000 0.413 91 M N -0.177 119.179 119.600 -0.406 0.000 2.117 91 M HA -0.172 4.311 4.480 0.005 0.000 0.262 91 M C 2.434 178.607 176.300 -0.212 0.000 1.065 91 M CA 1.888 56.939 55.300 -0.414 0.000 1.114 91 M CB -1.719 30.561 32.600 -0.534 0.000 1.361 91 M HN 0.216 nan 8.290 nan 0.000 0.408 92 T N 1.031 115.535 114.554 -0.082 0.000 2.684 92 T HA -0.101 4.252 4.350 0.005 0.000 0.267 92 T C 2.069 176.642 174.700 -0.212 0.000 1.036 92 T CA 1.634 63.658 62.100 -0.126 0.000 1.148 92 T CB -0.377 68.279 68.868 -0.355 0.000 0.863 92 T HN 0.175 nan 8.240 nan 0.000 0.436 93 V N 1.289 121.054 119.914 -0.247 0.000 2.453 93 V HA -0.047 4.076 4.120 0.005 0.000 0.247 93 V C 2.478 178.563 176.094 -0.015 0.000 1.048 93 V CA 1.256 63.501 62.300 -0.091 0.000 1.049 93 V CB -0.681 31.113 31.823 -0.049 0.000 0.672 93 V HN 0.422 nan 8.190 nan 0.000 0.457 94 L N -0.558 120.617 121.223 -0.081 0.000 2.056 94 L HA -0.139 4.204 4.340 0.005 0.000 0.207 94 L C 2.817 179.651 176.870 -0.061 0.000 1.078 94 L CA 1.555 56.350 54.840 -0.076 0.000 0.749 94 L CB -0.591 41.387 42.059 -0.135 0.000 0.901 94 L HN 0.224 nan 8.230 nan 0.000 0.433 95 R N -0.089 120.361 120.500 -0.083 0.000 2.096 95 R HA -0.136 4.207 4.340 0.005 0.000 0.235 95 R C 2.389 178.692 176.300 0.005 0.000 1.127 95 R CA 1.308 57.372 56.100 -0.060 0.000 0.968 95 R CB -0.400 29.853 30.300 -0.079 0.000 0.861 95 R HN 0.359 nan 8.270 nan 0.000 0.440 96 A N 1.027 123.882 122.820 0.059 0.000 1.898 96 A HA -0.157 4.166 4.320 0.005 0.000 0.216 96 A C 2.219 179.838 177.584 0.058 0.000 1.181 96 A CA 1.790 53.892 52.037 0.109 0.000 0.620 96 A CB -0.450 18.718 19.000 0.280 0.000 0.819 96 A HN 0.429 nan 8.150 nan 0.000 0.442 97 S N -0.245 115.482 115.700 0.045 0.000 2.423 97 S HA -0.108 4.365 4.470 0.005 0.000 0.231 97 S C 1.767 176.370 174.600 0.006 0.000 1.014 97 S CA 1.323 59.536 58.200 0.023 0.000 0.965 97 S CB -0.312 62.898 63.200 0.017 0.000 0.785 97 S HN 0.560 nan 8.310 nan 0.000 0.495 98 K N 1.361 121.759 120.400 -0.003 0.000 2.209 98 K HA 0.005 4.328 4.320 0.005 0.000 0.204 98 K C 1.912 178.510 176.600 -0.005 0.000 1.048 98 K CA 1.089 57.371 56.287 -0.009 0.000 0.940 98 K CB -0.095 32.392 32.500 -0.021 0.000 0.729 98 K HN 0.451 nan 8.250 nan 0.000 0.451 99 K N 0.492 120.893 120.400 0.001 0.000 2.362 99 K HA -0.122 4.201 4.320 0.005 0.000 0.200 99 K C 0.142 176.742 176.600 -0.001 0.000 1.046 99 K CA 0.743 57.030 56.287 0.001 0.000 0.952 99 K CB -0.060 32.443 32.500 0.005 0.000 0.753 99 K HN 0.066 nan 8.250 nan 0.000 0.466 100 D N 0.325 120.725 120.400 -0.000 0.000 2.697 100 D HA -0.173 4.470 4.640 0.005 0.000 0.238 100 D C -0.494 175.804 176.300 -0.003 0.000 1.152 100 D CA 0.520 54.519 54.000 -0.001 0.000 0.666 100 D CB -1.041 39.757 40.800 -0.002 0.000 1.037 100 D HN 0.230 nan 8.370 nan 0.000 0.423 101 L N 0.557 121.777 121.223 -0.005 0.000 3.122 101 L HA 0.177 4.520 4.340 0.005 0.000 0.274 101 L C 0.482 177.343 176.870 -0.014 0.000 1.222 101 L CA -0.430 54.405 54.840 -0.009 0.000 1.028 101 L CB 0.354 42.407 42.059 -0.010 0.000 1.386 101 L HN -0.020 nan 8.230 nan 0.000 0.578 102 E N 0.004 120.197 120.200 -0.011 0.000 2.440 102 E HA -0.245 4.108 4.350 0.005 0.000 0.246 102 E C 0.994 177.578 176.600 -0.026 0.000 1.165 102 E CA 0.530 56.921 56.400 -0.014 0.000 0.726 102 E CB -2.003 27.690 29.700 -0.011 0.000 1.271 102 E HN 0.530 nan 8.360 nan 0.000 0.397 103 L N -0.879 120.325 121.223 -0.032 0.000 2.093 103 L HA -0.031 4.312 4.340 0.005 0.000 0.208 103 L C 1.612 178.435 176.870 -0.078 0.000 1.085 103 L CA 1.202 56.001 54.840 -0.069 0.000 0.755 103 L CB -0.471 41.544 42.059 -0.072 0.000 0.904 103 L HN 0.549 nan 8.230 nan 0.000 0.435 104 G N -0.761 108.021 108.800 -0.031 0.000 2.660 104 G HA2 0.200 4.163 3.960 0.005 0.000 0.215 104 G HA3 0.200 4.163 3.960 0.005 0.000 0.215 104 G C -0.018 174.905 174.900 0.038 0.000 1.345 104 G CA -0.416 44.666 45.100 -0.029 0.000 0.877 104 G HN 0.893 nan 8.290 nan 0.000 0.549 105 G N -2.222 106.582 108.800 0.007 0.000 2.465 105 G HA2 0.594 4.558 3.960 0.005 0.000 0.681 105 G HA3 0.594 4.558 3.960 0.005 0.000 0.681 105 G C -0.979 173.936 174.900 0.025 0.000 1.340 105 G CA 0.443 45.679 45.100 0.226 0.000 0.884 105 G HN 1.925 nan 8.290 nan 0.000 0.650 106 H N 0.128 119.365 119.070 0.279 0.000 2.670 106 H HA 0.830 5.389 4.556 0.005 0.000 0.361 106 H C 1.174 176.622 175.328 0.199 0.000 1.169 106 H CA -0.892 55.303 56.048 0.245 0.000 1.198 106 H CB 1.859 31.819 29.762 0.329 0.000 1.700 106 H HN 0.489 nan 8.280 nan 0.000 0.542 107 M N -0.301 119.488 119.600 0.316 0.000 2.195 107 M HA 0.255 4.738 4.480 0.005 0.000 0.243 107 M C 1.918 178.380 176.300 0.270 0.000 1.313 107 M CA 0.599 56.049 55.300 0.250 0.000 1.077 107 M CB 0.469 33.166 32.600 0.162 0.000 1.664 107 M HN 0.617 nan 8.290 nan 0.000 0.584 108 A N 0.366 123.342 122.820 0.260 0.000 1.908 108 A HA -0.161 4.162 4.320 0.005 0.000 0.218 108 A C 2.224 179.957 177.584 0.249 0.000 1.181 108 A CA 2.489 54.671 52.037 0.241 0.000 0.627 108 A CB -0.836 18.296 19.000 0.221 0.000 0.818 108 A HN 0.432 nan 8.150 nan 0.000 0.445 109 S N -1.589 114.275 115.700 0.274 0.000 2.356 109 S HA -0.154 4.319 4.470 0.005 0.000 0.223 109 S C 1.765 176.502 174.600 0.228 0.000 1.032 109 S CA 1.611 59.944 58.200 0.221 0.000 1.005 109 S CB -0.502 62.785 63.200 0.145 0.000 0.867 109 S HN 0.596 nan 8.310 nan 0.000 0.449 110 F N 2.388 122.404 119.950 0.109 0.000 2.216 110 F HA -0.001 4.529 4.527 0.005 0.000 0.300 110 F C 2.451 178.348 175.800 0.161 0.000 1.085 110 F CA 1.494 59.565 58.000 0.118 0.000 1.326 110 F CB -0.592 38.449 39.000 0.068 0.000 1.027 110 F HN 0.214 nan 8.300 nan 0.000 0.497 111 Q N 0.148 119.996 119.800 0.079 0.000 2.181 111 Q HA -0.169 4.174 4.340 0.005 0.000 0.205 111 Q C 2.561 178.643 176.000 0.137 0.000 0.980 111 Q CA 1.766 57.597 55.803 0.047 0.000 0.862 111 Q CB -0.708 28.154 28.738 0.207 0.000 0.905 111 Q HN 0.595 nan 8.270 nan 0.000 0.429 112 S N -0.542 115.251 115.700 0.154 0.000 2.436 112 S HA -0.037 4.436 4.470 0.005 0.000 0.228 112 S C 1.809 176.385 174.600 -0.040 0.000 1.014 112 S CA 1.011 59.306 58.200 0.157 0.000 0.950 112 S CB -0.018 63.272 63.200 0.150 0.000 0.784 112 S HN 0.298 nan 8.310 nan 0.000 0.504 113 S N 0.124 115.809 115.700 -0.025 0.000 2.559 113 S HA 0.629 5.102 4.470 0.005 0.000 0.226 113 S C 1.695 176.303 174.600 0.013 0.000 1.000 113 S CA 0.119 58.319 58.200 -0.000 0.000 0.948 113 S CB 0.161 63.476 63.200 0.191 0.000 0.870 113 S HN 0.616 nan 8.310 nan 0.000 0.497 114 A N 2.547 125.178 122.820 -0.315 0.000 1.917 114 A HA -0.099 4.224 4.320 0.005 0.000 0.219 114 A C 2.277 179.857 177.584 -0.007 0.000 1.182 114 A CA 2.413 54.176 52.037 -0.456 0.000 0.633 114 A CB -1.721 16.776 19.000 -0.840 0.000 0.819 114 A HN 0.562 nan 8.150 nan 0.000 0.448 115 T N 0.051 114.586 114.554 -0.031 0.000 2.867 115 T HA -0.010 4.343 4.350 0.005 0.000 0.268 115 T C 1.749 176.479 174.700 0.051 0.000 1.057 115 T CA 1.292 63.415 62.100 0.039 0.000 1.136 115 T CB -0.364 68.511 68.868 0.012 0.000 0.874 115 T HN 0.450 nan 8.240 nan 0.000 0.466 116 I N -0.185 120.384 120.570 -0.001 0.000 2.202 116 I HA -0.157 4.017 4.170 0.005 0.000 0.242 116 I C 2.138 178.203 176.117 -0.086 0.000 1.091 116 I CA 1.495 62.779 61.300 -0.027 0.000 1.368 116 I CB -0.385 37.590 38.000 -0.042 0.000 1.058 116 I HN 0.182 nan 8.210 nan 0.000 0.410 117 Y N 0.747 121.097 120.300 0.084 0.000 2.200 117 Y HA -0.280 4.273 4.550 0.005 0.000 0.290 117 Y C 2.323 178.313 175.900 0.150 0.000 1.137 117 Y CA 1.752 59.894 58.100 0.069 0.000 1.163 117 Y CB -0.630 38.038 38.460 0.346 0.000 0.988 117 Y HN 0.200 nan 8.280 nan 0.000 0.518 118 D N -0.415 120.213 120.400 0.380 0.000 2.104 118 D HA -0.174 4.469 4.640 0.005 0.000 0.194 118 D C 2.213 178.659 176.300 0.243 0.000 0.994 118 D CA 1.388 55.591 54.000 0.339 0.000 0.830 118 D CB -0.204 40.750 40.800 0.257 0.000 0.959 118 D HN 0.081 nan 8.370 nan 0.000 0.452 119 V N -0.300 119.725 119.914 0.184 0.000 2.407 119 V HA -0.285 3.838 4.120 0.005 0.000 0.248 119 V C 2.647 178.808 176.094 0.110 0.000 1.055 119 V CA 1.479 63.951 62.300 0.287 0.000 1.049 119 V CB -0.357 31.651 31.823 0.309 0.000 0.662 119 V HN 0.459 nan 8.190 nan 0.000 0.455 120 C N -0.935 118.149 119.300 -0.360 0.000 2.446 120 C HA -0.094 4.369 4.460 0.005 0.000 0.277 120 C C 2.468 176.995 174.990 -0.771 0.000 1.275 120 C CA 0.540 59.014 59.018 -0.908 0.000 1.727 120 C CB -1.185 25.293 27.740 -2.104 0.000 2.010 120 C HN 0.536 nan 8.230 nan 0.000 0.486 121 F N 1.669 121.416 119.950 -0.340 0.000 2.234 121 F HA -0.059 4.471 4.527 0.005 0.000 0.299 121 F C 2.300 178.046 175.800 -0.089 0.000 1.087 121 F CA 1.278 59.258 58.000 -0.033 0.000 1.340 121 F CB -0.509 38.561 39.000 0.116 0.000 1.031 121 F HN 0.293 nan 8.300 nan 0.000 0.500 122 N N -1.548 117.174 118.700 0.037 0.000 2.415 122 N HA -0.063 4.680 4.740 0.005 0.000 0.176 122 N C 1.101 176.181 175.510 -0.716 0.000 1.042 122 N CA 0.980 53.861 53.050 -0.282 0.000 0.902 122 N CB -0.062 38.284 38.487 -0.235 0.000 0.986 122 N HN 0.397 nan 8.380 nan 0.000 0.447 123 H N -2.784 116.222 119.070 -0.106 0.000 3.680 123 H HA 0.214 4.773 4.556 0.005 0.000 0.260 123 H C 0.437 175.351 175.328 -0.690 0.000 1.183 123 H CA -0.021 55.810 56.048 -0.362 0.000 1.159 123 H CB 0.557 30.091 29.762 -0.380 0.000 1.567 123 H HN 0.087 nan 8.280 nan 0.000 0.648 124 F N -0.347 119.554 119.950 -0.082 0.000 2.496 124 F HA 0.191 4.721 4.527 0.005 0.000 0.274 124 F C 0.401 176.261 175.800 0.100 0.000 0.924 124 F CA -0.371 57.600 58.000 -0.048 0.000 1.147 124 F CB 0.107 38.984 39.000 -0.205 0.000 0.969 124 F HN -0.180 nan 8.300 nan 0.000 0.749 125 F N 3.619 123.621 119.950 0.086 0.000 2.538 125 F HA 0.164 4.694 4.527 0.005 0.000 0.382 125 F C 0.756 176.613 175.800 0.095 0.000 1.069 125 F CA -0.533 57.493 58.000 0.043 0.000 1.138 125 F CB -0.509 38.406 39.000 -0.143 0.000 1.068 125 F HN -0.227 nan 8.300 nan 0.000 0.556 126 R N 2.328 123.027 120.500 0.332 0.000 2.308 126 R HA 0.638 4.981 4.340 0.005 0.000 0.305 126 R C 0.112 176.510 176.300 0.162 0.000 1.053 126 R CA -0.617 55.620 56.100 0.230 0.000 0.957 126 R CB 1.023 31.441 30.300 0.197 0.000 1.022 126 R HN 0.693 nan 8.270 nan 0.000 0.461 127 A N 2.781 125.686 122.820 0.142 0.000 2.257 127 A HA 0.293 4.617 4.320 0.005 0.000 0.289 127 A C 0.064 177.671 177.584 0.039 0.000 1.095 127 A CA -0.630 51.461 52.037 0.089 0.000 0.836 127 A CB 0.447 19.489 19.000 0.069 0.000 1.111 127 A HN 0.825 nan 8.150 nan 0.000 0.497 128 R N 0.297 120.811 120.500 0.024 0.000 2.585 128 R HA 0.119 4.462 4.340 0.005 0.000 0.275 128 R C -0.147 176.139 176.300 -0.023 0.000 1.018 128 R CA 1.076 57.174 56.100 -0.004 0.000 1.072 128 R CB -0.073 30.230 30.300 0.006 0.000 0.953 128 R HN 0.976 nan 8.270 nan 0.000 0.419 129 N N 0.028 118.680 118.700 -0.080 0.000 3.278 129 N HA 0.048 4.791 4.740 0.005 0.000 0.307 129 N C -0.256 175.223 175.510 -0.052 0.000 1.551 129 N CA -0.936 52.056 53.050 -0.096 0.000 0.794 129 N CB 0.600 38.850 38.487 -0.394 0.000 1.770 129 N HN 0.609 nan 8.380 nan 0.000 0.612 130 E N -1.296 118.890 120.200 -0.024 0.000 2.268 130 E HA -0.162 4.191 4.350 0.005 0.000 0.195 130 E C 0.596 177.189 176.600 -0.013 0.000 0.995 130 E CA 1.169 57.570 56.400 0.001 0.000 0.836 130 E CB 0.141 29.856 29.700 0.025 0.000 0.763 130 E HN 0.457 nan 8.360 nan 0.000 0.491 131 Q N 0.398 120.169 119.800 -0.048 0.000 2.324 131 Q HA 0.075 4.418 4.340 0.005 0.000 0.207 131 Q C 0.064 176.042 176.000 -0.036 0.000 0.928 131 Q CA 0.938 56.717 55.803 -0.039 0.000 0.890 131 Q CB 0.477 29.186 28.738 -0.049 0.000 1.001 131 Q HN 0.373 nan 8.270 nan 0.000 0.517 132 D N -3.080 117.287 120.400 -0.054 0.000 2.665 132 D HA 0.302 4.945 4.640 0.005 0.000 0.287 132 D C 0.453 176.739 176.300 -0.024 0.000 1.266 132 D CA -0.424 53.560 54.000 -0.027 0.000 0.830 132 D CB 0.043 40.827 40.800 -0.027 0.000 1.356 132 D HN -0.087 nan 8.370 nan 0.000 0.437 133 G N -1.142 107.665 108.800 0.010 0.000 2.776 133 G HA2 0.424 4.387 3.960 0.005 0.000 0.209 133 G HA3 0.424 4.387 3.960 0.005 0.000 0.209 133 G C 0.990 175.906 174.900 0.026 0.000 1.145 133 G CA 0.495 45.608 45.100 0.022 0.000 0.791 133 G HN 1.146 nan 8.290 nan 0.000 0.530 134 G N -0.037 108.768 108.800 0.007 0.000 2.642 134 G HA2 -0.208 3.755 3.960 0.005 0.000 0.231 134 G HA3 -0.208 3.755 3.960 0.005 0.000 0.231 134 G C -0.789 174.158 174.900 0.079 0.000 1.338 134 G CA -0.266 44.850 45.100 0.027 0.000 0.883 134 G HN 0.248 nan 8.290 nan 0.000 0.570 135 D N 0.550 121.020 120.400 0.118 0.000 2.345 135 D HA 0.450 5.093 4.640 0.005 0.000 0.247 135 D C 0.681 177.061 176.300 0.132 0.000 1.108 135 D CA 0.080 54.176 54.000 0.160 0.000 0.894 135 D CB 0.964 41.954 40.800 0.317 0.000 1.203 135 D HN 0.460 nan 8.370 nan 0.000 0.430 136 L N 2.114 123.432 121.223 0.159 0.000 2.270 136 L HA 0.269 4.612 4.340 0.005 0.000 0.286 136 L C -0.351 176.618 176.870 0.164 0.000 1.059 136 L CA -0.796 54.171 54.840 0.211 0.000 0.839 136 L CB 0.822 42.989 42.059 0.180 0.000 1.221 136 L HN -0.057 nan 8.230 nan 0.000 0.431 137 V N 3.329 123.278 119.914 0.058 0.000 2.364 137 V HA 0.168 4.291 4.120 0.005 0.000 0.272 137 V C -0.429 175.614 176.094 -0.085 0.000 1.036 137 V CA -0.423 61.774 62.300 -0.171 0.000 0.880 137 V CB 0.878 32.085 31.823 -1.028 0.000 0.991 137 V HN 0.397 nan 8.190 nan 0.000 0.460 138 Y N 4.885 125.176 120.300 -0.015 0.000 2.714 138 Y HA 0.429 4.982 4.550 0.005 0.000 0.333 138 Y C 0.293 176.285 175.900 0.154 0.000 1.220 138 Y CA -0.995 57.172 58.100 0.111 0.000 1.513 138 Y CB -0.212 38.253 38.460 0.008 0.000 1.435 138 Y HN 0.509 nan 8.280 nan 0.000 0.489 139 F N 1.249 121.379 119.950 0.300 0.000 2.578 139 F HA -0.018 4.512 4.527 0.005 0.000 0.376 139 F C 1.082 176.989 175.800 0.177 0.000 1.085 139 F CA -0.030 58.095 58.000 0.209 0.000 1.260 139 F CB 0.401 39.472 39.000 0.118 0.000 1.095 139 F HN 0.357 nan 8.300 nan 0.000 0.573 140 Q N 2.716 122.761 119.800 0.408 0.000 2.286 140 Q HA 0.050 4.393 4.340 0.005 0.000 0.290 140 Q C 1.376 177.439 176.000 0.106 0.000 1.049 140 Q CA 0.356 56.305 55.803 0.244 0.000 0.923 140 Q CB 1.036 29.917 28.738 0.238 0.000 1.183 140 Q HN 0.969 nan 8.270 nan 0.000 0.383 141 G N 3.606 112.440 108.800 0.057 0.000 2.491 141 G HA2 -0.314 3.650 3.960 0.005 0.000 0.218 141 G HA3 -0.314 3.650 3.960 0.005 0.000 0.218 141 G C 0.933 175.884 174.900 0.086 0.000 1.180 141 G CA 1.100 46.173 45.100 -0.046 0.000 0.774 141 G HN 0.967 nan 8.290 nan 0.000 0.562 142 H N 0.639 119.660 119.070 -0.081 0.000 2.553 142 H HA 0.121 4.680 4.556 0.005 0.000 0.269 142 H C 1.699 177.078 175.328 0.085 0.000 1.011 142 H CA 0.594 56.648 56.048 0.010 0.000 1.150 142 H CB -0.470 29.000 29.762 -0.486 0.000 1.339 142 H HN 0.555 nan 8.280 nan 0.000 0.604 143 I N -0.861 119.649 120.570 -0.100 0.000 3.904 143 I HA 0.186 4.360 4.170 0.005 0.000 0.333 143 I C 1.823 177.812 176.117 -0.215 0.000 1.361 143 I CA -0.066 61.188 61.300 -0.077 0.000 1.116 143 I CB 0.024 38.055 38.000 0.051 0.000 1.028 143 I HN 0.070 nan 8.210 nan 0.000 0.398 144 S N 1.311 116.944 115.700 -0.112 0.000 2.387 144 S HA -0.048 4.426 4.470 0.005 0.000 0.230 144 S C -0.350 174.009 174.600 -0.403 0.000 1.035 144 S CA 1.182 59.250 58.200 -0.220 0.000 1.014 144 S CB -2.134 60.988 63.200 -0.131 0.000 0.836 144 S HN 0.371 nan 8.310 nan 0.000 0.466 145 P HA 0.010 nan 4.420 nan 0.000 0.216 145 P C 1.843 178.861 177.300 -0.470 0.000 1.150 145 P CA 1.646 64.575 63.100 -0.284 0.000 0.837 145 P CB -0.694 30.843 31.700 -0.271 0.000 0.786 146 G N -0.616 107.637 108.800 -0.911 0.000 2.408 146 G HA2 -0.188 3.776 3.960 0.005 0.000 0.217 146 G HA3 -0.188 3.776 3.960 0.005 0.000 0.217 146 G C 1.570 175.997 174.900 -0.788 0.000 1.150 146 G CA 0.509 44.671 45.100 -1.562 0.000 0.776 146 G HN 0.157 nan 8.290 nan 0.000 0.542 147 V N 0.010 119.542 119.914 -0.637 0.000 2.358 147 V HA -0.141 3.982 4.120 0.005 0.000 0.246 147 V C 2.430 178.365 176.094 -0.265 0.000 1.047 147 V CA 1.208 63.228 62.300 -0.466 0.000 1.035 147 V CB -0.698 30.814 31.823 -0.518 0.000 0.658 147 V HN 0.362 nan 8.190 nan 0.000 0.452 148 Y N 0.920 121.106 120.300 -0.191 0.000 2.181 148 Y HA -0.143 4.410 4.550 0.005 0.000 0.288 148 Y C 2.587 178.378 175.900 -0.180 0.000 1.146 148 Y CA 0.804 58.788 58.100 -0.194 0.000 1.164 148 Y CB -1.416 36.920 38.460 -0.206 0.000 0.982 148 Y HN 0.192 nan 8.280 nan 0.000 0.515 149 A N 0.269 123.057 122.820 -0.053 0.000 1.908 149 A HA -0.262 4.061 4.320 0.005 0.000 0.218 149 A C 2.424 180.040 177.584 0.052 0.000 1.181 149 A CA 2.101 54.126 52.037 -0.021 0.000 0.627 149 A CB -0.772 18.200 19.000 -0.047 0.000 0.818 149 A HN 0.449 nan 8.150 nan 0.000 0.445 150 R N -0.454 120.009 120.500 -0.062 0.000 2.066 150 R HA -0.036 4.307 4.340 0.005 0.000 0.232 150 R C 2.292 178.536 176.300 -0.093 0.000 1.131 150 R CA 1.464 57.498 56.100 -0.110 0.000 0.955 150 R CB -0.470 29.631 30.300 -0.331 0.000 0.851 150 R HN 0.395 nan 8.270 nan 0.000 0.432 151 A N 0.668 123.451 122.820 -0.062 0.000 1.908 151 A HA -0.206 4.117 4.320 0.005 0.000 0.218 151 A C 2.001 179.582 177.584 -0.004 0.000 1.181 151 A CA 1.431 53.461 52.037 -0.012 0.000 0.627 151 A CB -0.852 18.223 19.000 0.124 0.000 0.818 151 A HN 0.587 nan 8.150 nan 0.000 0.445 152 F N 0.034 119.908 119.950 -0.127 0.000 2.134 152 F HA -0.127 4.404 4.527 0.005 0.000 0.299 152 F C 1.749 177.495 175.800 -0.089 0.000 1.097 152 F CA 1.651 59.563 58.000 -0.145 0.000 1.264 152 F CB -0.384 38.492 39.000 -0.208 0.000 1.001 152 F HN 0.162 nan 8.300 nan 0.000 0.479 153 L N 0.896 122.065 121.223 -0.091 0.000 2.131 153 L HA -0.168 4.175 4.340 0.005 0.000 0.210 153 L C 1.937 178.717 176.870 -0.150 0.000 1.092 153 L CA 1.813 56.568 54.840 -0.142 0.000 0.759 153 L CB -0.883 41.215 42.059 0.066 0.000 0.903 153 L HN 0.251 nan 8.230 nan 0.000 0.435 154 E N -1.093 119.002 120.200 -0.175 0.000 2.502 154 E HA 0.165 4.519 4.350 0.005 0.000 0.194 154 E C 1.245 177.764 176.600 -0.135 0.000 1.062 154 E CA 0.498 56.769 56.400 -0.215 0.000 0.867 154 E CB -0.113 29.406 29.700 -0.303 0.000 0.888 154 E HN 0.507 nan 8.360 nan 0.000 0.510 155 G N 2.053 110.743 108.800 -0.183 0.000 2.160 155 G HA2 -0.352 3.611 3.960 0.005 0.000 0.251 155 G HA3 -0.352 3.611 3.960 0.005 0.000 0.251 155 G C 0.852 175.656 174.900 -0.159 0.000 1.008 155 G CA 0.400 45.394 45.100 -0.178 0.000 0.724 155 G HN 0.271 nan 8.290 nan 0.000 0.514 156 R N -1.082 119.324 120.500 -0.156 0.000 2.254 156 R HA 0.362 4.706 4.340 0.005 0.000 0.195 156 R C 0.828 177.081 176.300 -0.078 0.000 0.957 156 R CA 0.524 56.556 56.100 -0.113 0.000 1.024 156 R CB 0.345 30.594 30.300 -0.085 0.000 0.952 156 R HN 0.450 nan 8.270 nan 0.000 0.484 157 L N 0.398 121.585 121.223 -0.059 0.000 2.388 157 L HA 0.314 4.657 4.340 0.005 0.000 0.264 157 L C 0.214 177.125 176.870 0.068 0.000 0.998 157 L CA -0.951 53.857 54.840 -0.054 0.000 0.817 157 L CB 2.282 44.271 42.059 -0.116 0.000 1.338 157 L HN -0.029 nan 8.230 nan 0.000 0.414 158 T N -2.751 111.815 114.554 0.019 0.000 2.847 158 T HA 0.125 4.478 4.350 0.005 0.000 0.279 158 T C 0.634 175.364 174.700 0.050 0.000 0.984 158 T CA -0.394 61.753 62.100 0.078 0.000 0.988 158 T CB 1.644 70.514 68.868 0.004 0.000 1.040 158 T HN 0.737 nan 8.240 nan 0.000 0.528 159 Q N -0.148 119.707 119.800 0.091 0.000 2.119 159 Q HA -0.168 4.175 4.340 0.005 0.000 0.201 159 Q C 2.106 178.013 176.000 -0.155 0.000 0.972 159 Q CA 1.547 57.246 55.803 -0.174 0.000 0.847 159 Q CB -0.115 28.652 28.738 0.047 0.000 0.903 159 Q HN 0.905 nan 8.270 nan 0.000 0.433 160 E N 0.014 120.181 120.200 -0.055 0.000 2.085 160 E HA -0.251 4.102 4.350 0.005 0.000 0.194 160 E C 2.038 178.585 176.600 -0.088 0.000 0.994 160 E CA 1.365 57.739 56.400 -0.044 0.000 0.801 160 E CB 0.084 29.767 29.700 -0.027 0.000 0.743 160 E HN 0.472 nan 8.360 nan 0.000 0.453 161 Q N 0.045 119.766 119.800 -0.132 0.000 2.050 161 Q HA -0.148 4.195 4.340 0.005 0.000 0.202 161 Q C 2.447 178.309 176.000 -0.229 0.000 0.980 161 Q CA 1.171 56.864 55.803 -0.182 0.000 0.840 161 Q CB -0.063 28.541 28.738 -0.222 0.000 0.898 161 Q HN 0.340 nan 8.270 nan 0.000 0.424 162 L N 0.798 121.823 121.223 -0.330 0.000 2.079 162 L HA -0.213 4.130 4.340 0.005 0.000 0.210 162 L C 1.549 178.343 176.870 -0.127 0.000 1.081 162 L CA 0.839 55.453 54.840 -0.377 0.000 0.752 162 L CB -0.371 41.188 42.059 -0.833 0.000 0.896 162 L HN 0.205 nan 8.230 nan 0.000 0.433 163 D N -0.242 120.119 120.400 -0.065 0.000 2.371 163 D HA -0.085 4.558 4.640 0.005 0.000 0.221 163 D C 0.991 177.307 176.300 0.027 0.000 0.986 163 D CA 0.723 54.748 54.000 0.042 0.000 0.899 163 D CB -0.087 40.747 40.800 0.056 0.000 0.902 163 D HN 0.273 nan 8.370 nan 0.000 0.530 164 N N 0.307 119.001 118.700 -0.010 0.000 2.328 164 N HA 0.004 4.747 4.740 0.005 0.000 0.247 164 N C -0.256 175.254 175.510 -0.001 0.000 1.165 164 N CA -0.361 52.681 53.050 -0.012 0.000 0.873 164 N CB -0.004 38.458 38.487 -0.043 0.000 1.125 164 N HN 0.070 nan 8.380 nan 0.000 0.513 165 F N 2.329 122.199 119.950 -0.134 0.000 2.578 165 F HA 0.031 4.561 4.527 0.005 0.000 0.381 165 F C 1.241 176.993 175.800 -0.081 0.000 1.069 165 F CA 0.196 58.114 58.000 -0.137 0.000 1.231 165 F CB 0.277 39.222 39.000 -0.092 0.000 1.086 165 F HN 0.162 nan 8.300 nan 0.000 0.564 166 R N 2.793 122.942 120.500 -0.585 0.000 3.875 166 R HA -0.224 4.120 4.340 0.005 0.000 0.321 166 R C -0.708 175.446 176.300 -0.244 0.000 1.196 166 R CA 1.080 56.863 56.100 -0.527 0.000 0.868 166 R CB -1.799 28.051 30.300 -0.749 0.000 1.333 166 R HN 0.796 nan 8.270 nan 0.000 0.522 167 Q N -0.160 119.547 119.800 -0.155 0.000 2.891 167 Q HA 0.130 4.473 4.340 0.005 0.000 0.242 167 Q C -0.142 175.812 176.000 -0.076 0.000 0.959 167 Q CA -0.263 55.487 55.803 -0.089 0.000 0.707 167 Q CB 1.251 29.966 28.738 -0.039 0.000 1.283 167 Q HN 0.301 nan 8.270 nan 0.000 0.480 168 E N 0.133 120.279 120.200 -0.091 0.000 2.364 168 E HA -0.023 4.330 4.350 0.005 0.000 0.196 168 E C 1.549 178.093 176.600 -0.094 0.000 0.990 168 E CA 0.282 56.636 56.400 -0.077 0.000 0.886 168 E CB 0.583 30.247 29.700 -0.059 0.000 0.866 168 E HN 0.194 nan 8.360 nan 0.000 0.493 169 V N 1.406 121.224 119.914 -0.160 0.000 2.324 169 V HA -0.285 3.838 4.120 0.005 0.000 0.250 169 V C 1.465 177.383 176.094 -0.294 0.000 1.060 169 V CA 2.104 64.247 62.300 -0.262 0.000 1.042 169 V CB -0.679 30.904 31.823 -0.400 0.000 0.650 169 V HN 0.362 nan 8.190 nan 0.000 0.450 170 H N -0.553 118.501 119.070 -0.026 0.000 2.533 170 H HA 0.357 4.916 4.556 0.005 0.000 0.271 170 H C 1.712 177.024 175.328 -0.025 0.000 1.000 170 H CA 0.563 56.597 56.048 -0.024 0.000 1.149 170 H CB 0.120 29.867 29.762 -0.024 0.000 1.375 170 H HN 0.522 nan 8.280 nan 0.000 0.582 171 G N 1.152 109.970 108.800 0.029 0.000 2.195 171 G HA2 -0.337 3.626 3.960 0.005 0.000 0.246 171 G HA3 -0.337 3.626 3.960 0.005 0.000 0.246 171 G C 0.573 175.467 174.900 -0.009 0.000 0.984 171 G CA 0.320 45.426 45.100 0.009 0.000 0.633 171 G HN 0.472 nan 8.290 nan 0.000 0.525 172 N N 0.459 119.152 118.700 -0.011 0.000 2.553 172 N HA 0.508 5.251 4.740 0.005 0.000 0.298 172 N C 0.643 176.112 175.510 -0.069 0.000 1.596 172 N CA 0.972 53.997 53.050 -0.041 0.000 0.910 172 N CB 0.203 38.672 38.487 -0.030 0.000 1.336 172 N HN 0.680 nan 8.380 nan 0.000 0.497 173 G N -0.547 108.207 108.800 -0.078 0.000 2.932 173 G HA2 0.705 4.668 3.960 0.005 0.000 0.283 173 G HA3 0.705 4.668 3.960 0.005 0.000 0.283 173 G C -1.251 173.553 174.900 -0.160 0.000 1.336 173 G CA -0.545 44.491 45.100 -0.107 0.000 1.056 173 G HN 0.157 nan 8.290 nan 0.000 0.522 174 L N 0.431 121.543 121.223 -0.185 0.000 2.386 174 L HA 0.417 4.760 4.340 0.005 0.000 0.271 174 L C 0.117 176.944 176.870 -0.073 0.000 0.993 174 L CA -0.803 53.892 54.840 -0.242 0.000 0.819 174 L CB 2.292 43.972 42.059 -0.633 0.000 1.294 174 L HN 0.426 nan 8.230 nan 0.000 0.414 175 S N 0.028 115.803 115.700 0.126 0.000 2.585 175 S HA 0.034 4.507 4.470 0.005 0.000 0.273 175 S C 1.254 175.922 174.600 0.114 0.000 1.339 175 S CA -0.211 58.079 58.200 0.151 0.000 1.028 175 S CB 1.452 64.840 63.200 0.314 0.000 0.906 175 S HN 0.836 nan 8.310 nan 0.000 0.528 176 S N 1.030 116.620 115.700 -0.185 0.000 2.383 176 S HA -0.103 4.370 4.470 0.005 0.000 0.229 176 S C 0.098 174.382 174.600 -0.526 0.000 1.030 176 S CA 1.097 58.964 58.200 -0.555 0.000 1.002 176 S CB -0.541 62.086 63.200 -0.957 0.000 0.829 176 S HN 0.708 nan 8.310 nan 0.000 0.467 177 Y N 0.213 120.491 120.300 -0.036 0.000 2.805 177 Y HA 0.586 5.139 4.550 0.005 0.000 0.323 177 Y C -3.055 172.223 175.900 -1.037 0.000 1.279 177 Y CA -3.157 54.682 58.100 -0.435 0.000 1.103 177 Y CB -0.115 38.120 38.460 -0.375 0.000 1.324 177 Y HN -0.212 nan 8.280 nan 0.000 0.498 178 P HA 0.142 nan 4.420 nan 0.000 0.268 178 P C -1.128 175.653 177.300 -0.865 0.000 1.282 178 P CA 0.620 62.699 63.100 -1.701 0.000 0.880 178 P CB -0.073 30.916 31.700 -1.185 0.000 0.971 179 H N 4.504 123.461 119.070 -0.188 0.000 2.854 179 H HA 0.198 4.757 4.556 0.005 0.000 0.275 179 H C -1.946 173.490 175.328 0.180 0.000 1.198 179 H CA -2.014 54.068 56.048 0.057 0.000 1.489 179 H CB 1.307 31.117 29.762 0.080 0.000 1.519 179 H HN 0.217 nan 8.280 nan 0.000 0.503 180 P HA -0.203 nan 4.420 nan 0.000 0.216 180 P C 1.821 179.218 177.300 0.161 0.000 1.150 180 P CA 1.333 64.552 63.100 0.197 0.000 0.843 180 P CB 0.649 32.404 31.700 0.091 0.000 0.787 181 K N -0.015 120.462 120.400 0.129 0.000 2.097 181 K HA -0.100 4.223 4.320 0.005 0.000 0.206 181 K C 1.790 178.441 176.600 0.085 0.000 1.049 181 K CA 1.481 57.812 56.287 0.073 0.000 0.933 181 K CB -1.038 31.466 32.500 0.007 0.000 0.717 181 K HN 0.107 nan 8.250 nan 0.000 0.442 182 L N -0.987 120.319 121.223 0.138 0.000 2.307 182 L HA 0.192 4.535 4.340 0.005 0.000 0.211 182 L C 0.815 177.776 176.870 0.151 0.000 1.099 182 L CA 0.374 55.292 54.840 0.129 0.000 0.816 182 L CB 0.015 42.168 42.059 0.157 0.000 0.952 182 L HN 0.095 nan 8.230 nan 0.000 0.455 183 M N 0.752 120.489 119.600 0.228 0.000 2.353 183 M HA 0.219 4.702 4.480 0.005 0.000 0.218 183 M C -1.875 174.554 176.300 0.214 0.000 1.044 183 M CA -1.190 54.244 55.300 0.222 0.000 0.615 183 M CB 1.796 34.603 32.600 0.345 0.000 1.531 183 M HN -0.242 nan 8.290 nan 0.000 0.378 184 P HA -0.136 nan 4.420 nan 0.000 0.225 184 P C 0.253 177.602 177.300 0.082 0.000 1.148 184 P CA 1.376 64.537 63.100 0.102 0.000 0.779 184 P CB 0.233 31.978 31.700 0.074 0.000 0.780 185 E N -2.930 117.327 120.200 0.095 0.000 2.501 185 E HA 0.123 4.476 4.350 0.005 0.000 0.201 185 E C 0.867 177.527 176.600 0.099 0.000 1.016 185 E CA -0.190 56.254 56.400 0.073 0.000 0.920 185 E CB 0.067 29.805 29.700 0.062 0.000 1.023 185 E HN 0.238 nan 8.360 nan 0.000 0.474 186 F N -0.509 119.393 119.950 -0.081 0.000 2.495 186 F HA 0.251 4.781 4.527 0.005 0.000 0.271 186 F C -0.020 175.646 175.800 -0.222 0.000 0.889 186 F CA -0.180 57.691 58.000 -0.214 0.000 1.129 186 F CB 0.357 39.150 39.000 -0.346 0.000 1.169 186 F HN -0.140 nan 8.300 nan 0.000 0.781 187 W N 1.771 123.150 121.300 0.132 0.000 2.183 187 W HA 0.365 5.028 4.660 0.005 0.000 0.348 187 W C 1.055 177.460 176.519 -0.189 0.000 1.257 187 W CA -0.205 57.117 57.345 -0.038 0.000 1.324 187 W CB 0.810 30.327 29.460 0.096 0.000 1.144 187 W HN 0.080 nan 8.180 nan 0.000 0.622 188 Q N 0.120 119.910 119.800 -0.016 0.000 2.527 188 Q HA 0.166 4.509 4.340 0.005 0.000 0.252 188 Q C -0.680 174.837 176.000 -0.805 0.000 0.827 188 Q CA 0.254 55.700 55.803 -0.594 0.000 0.979 188 Q CB 0.729 28.798 28.738 -1.116 0.000 1.248 188 Q HN 0.281 nan 8.270 nan 0.000 0.578 189 F N 1.897 121.822 119.950 -0.041 0.000 2.460 189 F HA 0.415 4.945 4.527 0.005 0.000 0.341 189 F C -2.417 173.356 175.800 -0.045 0.000 1.130 189 F CA -3.140 54.777 58.000 -0.138 0.000 0.962 189 F CB 1.174 39.818 39.000 -0.593 0.000 1.171 189 F HN -0.179 nan 8.300 nan 0.000 0.436 190 P HA 0.183 nan 4.420 nan 0.000 0.271 190 P C 0.545 177.934 177.300 0.148 0.000 1.233 190 P CA -0.005 63.161 63.100 0.111 0.000 0.764 190 P CB 0.787 32.611 31.700 0.206 0.000 0.825 191 T N -1.676 112.914 114.554 0.060 0.000 3.016 191 T HA 0.028 4.382 4.350 0.005 0.000 0.271 191 T C 1.320 176.029 174.700 0.015 0.000 0.968 191 T CA 0.051 62.211 62.100 0.100 0.000 0.891 191 T CB -0.532 68.426 68.868 0.151 0.000 1.149 191 T HN 0.080 nan 8.240 nan 0.000 0.524 192 V N 2.111 121.976 119.914 -0.082 0.000 2.720 192 V HA 0.087 4.210 4.120 0.005 0.000 0.256 192 V C 1.252 177.275 176.094 -0.120 0.000 1.082 192 V CA 1.521 63.693 62.300 -0.214 0.000 1.101 192 V CB -0.251 31.235 31.823 -0.562 0.000 0.693 192 V HN 0.607 nan 8.190 nan 0.000 0.479 193 S N 1.077 116.776 115.700 -0.002 0.000 2.416 193 S HA 0.347 4.820 4.470 0.005 0.000 0.302 193 S C 0.102 174.710 174.600 0.013 0.000 1.120 193 S CA -0.505 57.705 58.200 0.016 0.000 1.067 193 S CB -0.143 63.102 63.200 0.076 0.000 1.057 193 S HN 0.459 nan 8.310 nan 0.000 0.518 194 M N 4.107 123.697 119.600 -0.017 0.000 2.252 194 M HA 0.212 4.696 4.480 0.005 0.000 0.329 194 M C 1.642 177.945 176.300 0.004 0.000 1.101 194 M CA 1.634 56.929 55.300 -0.008 0.000 1.117 194 M CB 0.144 32.729 32.600 -0.025 0.000 1.563 194 M HN 0.978 nan 8.290 nan 0.000 0.445 195 G N 1.194 109.994 108.800 0.001 0.000 2.299 195 G HA2 -0.249 3.714 3.960 0.005 0.000 0.237 195 G HA3 -0.249 3.714 3.960 0.005 0.000 0.237 195 G C 0.423 175.335 174.900 0.020 0.000 1.027 195 G CA 0.104 45.205 45.100 0.003 0.000 0.619 195 G HN 0.557 nan 8.290 nan 0.000 0.513 196 L N 1.833 123.081 121.223 0.042 0.000 2.131 196 L HA 0.300 4.643 4.340 0.005 0.000 0.206 196 L C 3.007 179.919 176.870 0.070 0.000 1.087 196 L CA 2.548 57.429 54.840 0.069 0.000 0.767 196 L CB -1.298 40.822 42.059 0.102 0.000 0.917 196 L HN 0.381 nan 8.230 nan 0.000 0.441 197 G N 0.239 109.080 108.800 0.068 0.000 2.446 197 G HA2 -0.210 3.754 3.960 0.005 0.000 0.217 197 G HA3 -0.210 3.754 3.960 0.005 0.000 0.217 197 G C -0.617 174.188 174.900 -0.158 0.000 1.168 197 G CA 0.700 45.829 45.100 0.048 0.000 0.771 197 G HN 0.309 nan 8.290 nan 0.000 0.551 198 P HA -0.070 nan 4.420 nan 0.000 0.214 198 P C 1.965 179.327 177.300 0.102 0.000 1.163 198 P CA 0.637 63.623 63.100 -0.190 0.000 0.883 198 P CB -0.081 31.511 31.700 -0.180 0.000 0.788 199 I N -1.019 119.615 120.570 0.107 0.000 2.439 199 I HA -0.078 4.095 4.170 0.005 0.000 0.251 199 I C 2.046 178.277 176.117 0.190 0.000 1.139 199 I CA 1.334 62.754 61.300 0.200 0.000 1.438 199 I CB -0.587 37.513 38.000 0.166 0.000 1.085 199 I HN -0.075 nan 8.210 nan 0.000 0.427 200 G N 0.213 109.047 108.800 0.056 0.000 2.402 200 G HA2 -0.248 3.716 3.960 0.005 0.000 0.216 200 G HA3 -0.248 3.716 3.960 0.005 0.000 0.216 200 G C 1.728 176.531 174.900 -0.163 0.000 1.162 200 G CA 0.679 45.800 45.100 0.035 0.000 0.777 200 G HN 0.526 nan 8.290 nan 0.000 0.539 201 A N 0.749 123.261 122.820 -0.513 0.000 1.898 201 A HA 0.090 4.413 4.320 0.005 0.000 0.216 201 A C 2.386 179.863 177.584 -0.180 0.000 1.181 201 A CA 1.138 52.766 52.037 -0.681 0.000 0.620 201 A CB -0.340 18.238 19.000 -0.702 0.000 0.819 201 A HN 0.362 nan 8.150 nan 0.000 0.442 202 I N -1.916 118.642 120.570 -0.019 0.000 2.163 202 I HA -0.299 3.874 4.170 0.005 0.000 0.243 202 I C 2.232 178.188 176.117 -0.268 0.000 1.085 202 I CA 1.593 62.821 61.300 -0.121 0.000 1.347 202 I CB -0.378 37.556 38.000 -0.110 0.000 1.044 202 I HN 0.413 nan 8.210 nan 0.000 0.408 203 Y N 0.091 120.385 120.300 -0.011 0.000 2.516 203 Y HA -0.187 4.366 4.550 0.005 0.000 0.291 203 Y C 2.581 178.507 175.900 0.044 0.000 1.131 203 Y CA 0.860 58.968 58.100 0.012 0.000 1.281 203 Y CB -0.212 38.245 38.460 -0.004 0.000 1.013 203 Y HN 0.207 nan 8.280 nan 0.000 0.554 204 Q N 0.529 120.386 119.800 0.094 0.000 2.096 204 Q HA -0.055 4.288 4.340 0.005 0.000 0.197 204 Q C 2.307 178.372 176.000 0.107 0.000 0.964 204 Q CA 1.572 57.446 55.803 0.118 0.000 0.838 204 Q CB -0.369 28.417 28.738 0.081 0.000 0.906 204 Q HN 0.321 nan 8.270 nan 0.000 0.444 205 A N 0.872 123.693 122.820 0.003 0.000 1.933 205 A HA -0.197 4.126 4.320 0.005 0.000 0.218 205 A C 2.075 179.658 177.584 -0.001 0.000 1.175 205 A CA 1.738 53.757 52.037 -0.030 0.000 0.628 205 A CB -0.634 18.296 19.000 -0.117 0.000 0.814 205 A HN 0.416 nan 8.150 nan 0.000 0.444 206 K N -1.787 118.608 120.400 -0.010 0.000 2.097 206 K HA -0.125 4.198 4.320 0.005 0.000 0.205 206 K C 1.734 178.420 176.600 0.142 0.000 1.050 206 K CA 1.392 57.703 56.287 0.040 0.000 0.938 206 K CB -0.276 32.200 32.500 -0.040 0.000 0.718 206 K HN 0.391 nan 8.250 nan 0.000 0.442 207 F N 1.655 121.618 119.950 0.023 0.000 2.186 207 F HA -0.075 4.455 4.527 0.005 0.000 0.299 207 F C 1.646 177.501 175.800 0.092 0.000 1.090 207 F CA 1.056 59.080 58.000 0.040 0.000 1.307 207 F CB -0.018 38.999 39.000 0.028 0.000 1.019 207 F HN -0.052 nan 8.300 nan 0.000 0.489 208 L N -0.141 121.157 121.223 0.125 0.000 2.046 208 L HA -0.241 4.102 4.340 0.005 0.000 0.208 208 L C 2.537 179.364 176.870 -0.072 0.000 1.077 208 L CA 1.211 56.061 54.840 0.016 0.000 0.747 208 L CB -0.778 41.304 42.059 0.038 0.000 0.896 208 L HN -0.001 nan 8.230 nan 0.000 0.432 209 K N -0.328 120.061 120.400 -0.019 0.000 2.057 209 K HA -0.228 4.095 4.320 0.005 0.000 0.207 209 K C 2.071 178.691 176.600 0.033 0.000 1.049 209 K CA 1.560 57.838 56.287 -0.015 0.000 0.931 209 K CB -0.623 31.966 32.500 0.149 0.000 0.714 209 K HN 0.272 nan 8.250 nan 0.000 0.440 210 Y N 1.573 121.763 120.300 -0.183 0.000 2.128 210 Y HA -0.241 4.312 4.550 0.005 0.000 0.284 210 Y C 1.995 177.632 175.900 -0.439 0.000 1.154 210 Y CA 1.234 59.025 58.100 -0.515 0.000 1.149 210 Y CB -0.319 37.600 38.460 -0.902 0.000 0.976 210 Y HN -0.122 nan 8.280 nan 0.000 0.505 211 L N 0.932 121.863 121.223 -0.486 0.000 2.083 211 L HA -0.191 4.153 4.340 0.005 0.000 0.209 211 L C 2.510 179.190 176.870 -0.317 0.000 1.083 211 L CA 2.116 56.678 54.840 -0.463 0.000 0.752 211 L CB -1.278 40.591 42.059 -0.316 0.000 0.899 211 L HN 0.455 nan 8.230 nan 0.000 0.433 212 E N -1.314 118.727 120.200 -0.264 0.000 2.046 212 E HA -0.212 4.141 4.350 0.005 0.000 0.190 212 E C 2.112 178.582 176.600 -0.215 0.000 0.982 212 E CA 1.038 57.293 56.400 -0.242 0.000 0.800 212 E CB -0.091 29.433 29.700 -0.293 0.000 0.756 212 E HN 0.601 nan 8.360 nan 0.000 0.449 213 H N -0.425 118.580 119.070 -0.109 0.000 2.422 213 H HA 0.021 4.580 4.556 0.005 0.000 0.298 213 H C 1.763 177.020 175.328 -0.120 0.000 1.098 213 H CA 1.161 57.180 56.048 -0.048 0.000 1.315 213 H CB 0.202 30.043 29.762 0.131 0.000 1.382 213 H HN 0.015 nan 8.280 nan 0.000 0.523 214 R N -0.050 120.348 120.500 -0.170 0.000 2.310 214 R HA 0.065 4.408 4.340 0.005 0.000 0.202 214 R C 0.882 177.079 176.300 -0.171 0.000 0.933 214 R CA 0.563 56.514 56.100 -0.247 0.000 1.054 214 R CB 0.570 30.536 30.300 -0.556 0.000 0.985 214 R HN 0.447 nan 8.270 nan 0.000 0.489 215 G N 1.297 110.013 108.800 -0.139 0.000 2.160 215 G HA2 -0.264 3.699 3.960 0.005 0.000 0.251 215 G HA3 -0.264 3.699 3.960 0.005 0.000 0.251 215 G C 0.577 175.412 174.900 -0.108 0.000 1.008 215 G CA 0.139 45.178 45.100 -0.102 0.000 0.724 215 G HN 0.302 nan 8.290 nan 0.000 0.514 216 L N -1.324 119.809 121.223 -0.149 0.000 2.298 216 L HA 0.410 4.753 4.340 0.005 0.000 0.209 216 L C 1.266 178.082 176.870 -0.090 0.000 1.084 216 L CA 1.193 55.960 54.840 -0.122 0.000 0.816 216 L CB 0.284 42.247 42.059 -0.161 0.000 0.967 216 L HN 0.262 nan 8.230 nan 0.000 0.460 217 K N -0.096 120.241 120.400 -0.105 0.000 2.569 217 K HA 0.102 4.425 4.320 0.005 0.000 0.259 217 K C -1.710 174.840 176.600 -0.083 0.000 0.932 217 K CA -0.649 55.595 56.287 -0.073 0.000 0.833 217 K CB 1.944 34.415 32.500 -0.049 0.000 1.340 217 K HN -0.268 nan 8.250 nan 0.000 0.429 218 D N 2.518 122.881 120.400 -0.063 0.000 2.336 218 D HA 0.065 4.709 4.640 0.005 0.000 0.249 218 D C 0.294 176.560 176.300 -0.058 0.000 1.213 218 D CA 0.156 54.115 54.000 -0.067 0.000 0.870 218 D CB 1.092 41.862 40.800 -0.050 0.000 1.076 218 D HN 0.567 nan 8.370 nan 0.000 0.483 219 T N -0.577 113.935 114.554 -0.071 0.000 3.132 219 T HA 0.032 4.385 4.350 0.005 0.000 0.274 219 T C 1.566 176.235 174.700 -0.052 0.000 1.011 219 T CA 0.166 62.237 62.100 -0.049 0.000 0.899 219 T CB -0.243 68.598 68.868 -0.044 0.000 1.089 219 T HN 0.213 nan 8.240 nan 0.000 0.543 220 S N 1.906 117.568 115.700 -0.063 0.000 2.469 220 S HA -0.063 4.410 4.470 0.005 0.000 0.238 220 S C 1.591 176.171 174.600 -0.034 0.000 0.998 220 S CA 0.472 58.636 58.200 -0.060 0.000 0.957 220 S CB -0.503 62.659 63.200 -0.063 0.000 0.764 220 S HN 0.597 nan 8.310 nan 0.000 0.514 221 K N 0.739 121.127 120.400 -0.020 0.000 2.404 221 K HA 0.213 4.536 4.320 0.005 0.000 0.194 221 K C 0.266 176.876 176.600 0.018 0.000 1.023 221 K CA 0.059 56.348 56.287 0.003 0.000 1.094 221 K CB 0.213 32.716 32.500 0.004 0.000 0.841 221 K HN 0.553 nan 8.250 nan 0.000 0.523 222 Q N 0.569 120.373 119.800 0.005 0.000 2.230 222 Q HA 0.243 4.586 4.340 0.005 0.000 0.253 222 Q C -0.708 175.288 176.000 -0.007 0.000 0.919 222 Q CA -0.160 55.655 55.803 0.021 0.000 0.908 222 Q CB 2.006 30.759 28.738 0.024 0.000 1.245 222 Q HN -0.106 nan 8.270 nan 0.000 0.437 223 T N 1.064 115.613 114.554 -0.008 0.000 2.861 223 T HA 0.407 4.760 4.350 0.005 0.000 0.287 223 T C -0.705 173.895 174.700 -0.167 0.000 1.003 223 T CA -0.576 61.435 62.100 -0.147 0.000 0.977 223 T CB 1.410 70.132 68.868 -0.244 0.000 0.996 223 T HN 0.252 nan 8.240 nan 0.000 0.448 224 V N 3.829 123.615 119.914 -0.213 0.000 2.350 224 V HA 0.395 4.518 4.120 0.005 0.000 0.276 224 V C -1.125 174.864 176.094 -0.176 0.000 1.028 224 V CA -0.721 61.525 62.300 -0.091 0.000 0.860 224 V CB 0.184 31.976 31.823 -0.053 0.000 0.990 224 V HN 0.778 nan 8.190 nan 0.000 0.453 225 Y N 2.752 123.140 120.300 0.146 0.000 2.331 225 Y HA 0.691 5.244 4.550 0.005 0.000 0.338 225 Y C 0.421 176.424 175.900 0.172 0.000 0.992 225 Y CA -0.642 57.558 58.100 0.167 0.000 1.121 225 Y CB 1.935 40.601 38.460 0.343 0.000 1.184 225 Y HN 0.659 nan 8.280 nan 0.000 0.469 226 A N 4.572 127.506 122.820 0.190 0.000 2.293 226 A HA 0.621 4.944 4.320 0.005 0.000 0.312 226 A C -1.463 176.063 177.584 -0.096 0.000 1.309 226 A CA -0.525 51.533 52.037 0.035 0.000 0.839 226 A CB -0.270 18.589 19.000 -0.234 0.000 1.155 226 A HN 0.604 nan 8.150 nan 0.000 0.501 227 F N 3.055 123.028 119.950 0.037 0.000 2.413 227 F HA 0.468 4.998 4.527 0.005 0.000 0.359 227 F C 0.226 176.019 175.800 -0.013 0.000 1.122 227 F CA 0.091 58.108 58.000 0.029 0.000 1.160 227 F CB 0.789 39.884 39.000 0.158 0.000 1.146 227 F HN 0.381 nan 8.300 nan 0.000 0.514 228 L N 2.449 123.651 121.223 -0.033 0.000 2.319 228 L HA 0.803 5.146 4.340 0.005 0.000 0.267 228 L C 0.587 177.451 176.870 -0.010 0.000 1.011 228 L CA -1.141 53.657 54.840 -0.070 0.000 0.818 228 L CB 1.661 43.564 42.059 -0.259 0.000 1.316 228 L HN 0.592 nan 8.230 nan 0.000 0.432 229 G N -0.703 108.110 108.800 0.022 0.000 2.462 229 G HA2 0.335 4.299 3.960 0.005 0.000 0.319 229 G HA3 0.335 4.299 3.960 0.005 0.000 0.319 229 G C 0.035 174.935 174.900 -0.001 0.000 1.171 229 G CA -0.298 44.832 45.100 0.050 0.000 0.920 229 G HN 0.772 nan 8.290 nan 0.000 0.499 230 D N -0.199 120.204 120.400 0.005 0.000 2.162 230 D HA -0.036 4.608 4.640 0.005 0.000 0.203 230 D C 2.193 178.495 176.300 0.004 0.000 0.967 230 D CA 1.055 55.047 54.000 -0.013 0.000 0.840 230 D CB -0.814 39.978 40.800 -0.013 0.000 0.972 230 D HN 0.486 nan 8.370 nan 0.000 0.482 231 G N 0.756 109.569 108.800 0.022 0.000 2.422 231 G HA2 -0.327 3.636 3.960 0.005 0.000 0.218 231 G HA3 -0.327 3.636 3.960 0.005 0.000 0.218 231 G C 1.446 176.352 174.900 0.009 0.000 1.146 231 G CA 0.786 45.897 45.100 0.019 0.000 0.769 231 G HN 0.485 nan 8.290 nan 0.000 0.547 232 E N -0.150 120.055 120.200 0.009 0.000 2.209 232 E HA -0.152 4.201 4.350 0.005 0.000 0.196 232 E C 2.143 178.736 176.600 -0.011 0.000 0.993 232 E CA 0.805 57.204 56.400 -0.003 0.000 0.819 232 E CB -0.140 29.561 29.700 0.002 0.000 0.745 232 E HN 0.270 nan 8.360 nan 0.000 0.477 233 M N 0.969 120.563 119.600 -0.010 0.000 2.632 233 M HA -0.073 4.410 4.480 0.005 0.000 0.256 233 M C 0.814 177.119 176.300 0.007 0.000 1.080 233 M CA 0.985 56.287 55.300 0.003 0.000 1.084 233 M CB -0.569 32.042 32.600 0.019 0.000 1.439 233 M HN 0.051 nan 8.290 nan 0.000 0.509 234 D N 0.423 120.824 120.400 0.002 0.000 2.317 234 D HA -0.027 4.616 4.640 0.005 0.000 0.211 234 D C 0.448 176.746 176.300 -0.003 0.000 0.966 234 D CA 0.511 54.512 54.000 0.000 0.000 0.876 234 D CB 0.208 41.009 40.800 0.001 0.000 0.927 234 D HN 0.256 nan 8.370 nan 0.000 0.519 235 E N 0.663 120.861 120.200 -0.003 0.000 2.376 235 E HA 0.013 4.366 4.350 0.005 0.000 0.266 235 E C -1.620 174.978 176.600 -0.003 0.000 1.009 235 E CA -1.325 55.073 56.400 -0.003 0.000 0.902 235 E CB 0.941 30.640 29.700 -0.002 0.000 0.972 235 E HN 0.077 nan 8.360 nan 0.000 0.439 236 P HA -0.173 nan 4.420 nan 0.000 0.216 236 P C 0.682 177.982 177.300 -0.001 0.000 1.150 236 P CA 1.249 64.344 63.100 -0.008 0.000 0.843 236 P CB 0.356 32.050 31.700 -0.010 0.000 0.787 237 E N -1.000 119.204 120.200 0.007 0.000 2.204 237 E HA -0.108 4.245 4.350 0.005 0.000 0.195 237 E C 2.045 178.668 176.600 0.039 0.000 0.990 237 E CA 1.081 57.494 56.400 0.022 0.000 0.821 237 E CB -0.788 28.925 29.700 0.022 0.000 0.750 237 E HN 0.187 nan 8.360 nan 0.000 0.477 238 S N 0.340 116.055 115.700 0.024 0.000 2.356 238 S HA -0.107 4.366 4.470 0.005 0.000 0.223 238 S C 1.504 176.150 174.600 0.077 0.000 1.032 238 S CA 1.283 59.505 58.200 0.036 0.000 1.005 238 S CB -0.009 63.196 63.200 0.009 0.000 0.867 238 S HN 0.209 nan 8.310 nan 0.000 0.449 239 K N 0.013 120.416 120.400 0.006 0.000 2.380 239 K HA 0.208 4.532 4.320 0.005 0.000 0.198 239 K C 1.965 178.500 176.600 -0.107 0.000 1.070 239 K CA 0.362 56.587 56.287 -0.102 0.000 1.040 239 K CB 0.169 32.561 32.500 -0.180 0.000 0.903 239 K HN 0.316 nan 8.250 nan 0.000 0.549 240 G N 1.387 110.165 108.800 -0.037 0.000 2.501 240 G HA2 -0.218 3.745 3.960 0.005 0.000 0.220 240 G HA3 -0.218 3.745 3.960 0.005 0.000 0.220 240 G C 1.120 176.020 174.900 0.001 0.000 1.114 240 G CA 1.081 46.166 45.100 -0.025 0.000 0.757 240 G HN 0.316 nan 8.290 nan 0.000 0.559 241 A N 0.129 122.971 122.820 0.036 0.000 2.603 241 A HA 0.405 4.728 4.320 0.005 0.000 0.277 241 A C 1.818 179.432 177.584 0.051 0.000 1.158 241 A CA 0.203 52.288 52.037 0.080 0.000 0.962 241 A CB -0.065 19.065 19.000 0.216 0.000 1.189 241 A HN 0.501 nan 8.150 nan 0.000 0.552 242 I N -3.230 117.328 120.570 -0.020 0.000 2.567 242 I HA -0.117 4.056 4.170 0.005 0.000 0.257 242 I C 1.692 177.930 176.117 0.202 0.000 1.184 242 I CA 1.869 63.185 61.300 0.027 0.000 1.451 242 I CB -0.756 36.922 38.000 -0.537 0.000 1.089 242 I HN 0.044 nan 8.210 nan 0.000 0.441 243 T N 1.768 116.348 114.554 0.043 0.000 2.867 243 T HA -0.017 4.337 4.350 0.005 0.000 0.268 243 T C 1.724 176.424 174.700 0.001 0.000 1.057 243 T CA 1.525 63.646 62.100 0.034 0.000 1.136 243 T CB -0.281 68.579 68.868 -0.015 0.000 0.874 243 T HN 0.289 nan 8.240 nan 0.000 0.466 244 I N 1.674 122.232 120.570 -0.020 0.000 2.286 244 I HA -0.116 4.057 4.170 0.005 0.000 0.248 244 I C 2.596 178.613 176.117 -0.167 0.000 1.115 244 I CA 0.931 62.177 61.300 -0.090 0.000 1.392 244 I CB -0.648 37.270 38.000 -0.137 0.000 1.065 244 I HN 0.150 nan 8.210 nan 0.000 0.418 245 A N -0.638 122.070 122.820 -0.186 0.000 2.019 245 A HA -0.181 4.142 4.320 0.005 0.000 0.219 245 A C 2.412 179.749 177.584 -0.411 0.000 1.164 245 A CA 2.298 54.105 52.037 -0.384 0.000 0.644 245 A CB -1.006 17.598 19.000 -0.659 0.000 0.805 245 A HN 0.421 nan 8.150 nan 0.000 0.449 246 T N -0.771 113.613 114.554 -0.284 0.000 2.894 246 T HA -0.034 4.319 4.350 0.005 0.000 0.258 246 T C 2.050 176.650 174.700 -0.166 0.000 1.043 246 T CA 1.029 62.988 62.100 -0.235 0.000 1.141 246 T CB -0.156 68.639 68.868 -0.121 0.000 0.873 246 T HN 0.506 nan 8.240 nan 0.000 0.449 247 R N 1.246 121.668 120.500 -0.130 0.000 2.091 247 R HA -0.044 4.299 4.340 0.005 0.000 0.238 247 R C 1.726 177.951 176.300 -0.126 0.000 1.136 247 R CA 1.083 57.118 56.100 -0.110 0.000 0.959 247 R CB -0.093 30.155 30.300 -0.087 0.000 0.856 247 R HN 0.374 nan 8.270 nan 0.000 0.437 248 E N 0.675 120.790 120.200 -0.142 0.000 2.444 248 E HA 0.040 4.393 4.350 0.005 0.000 0.191 248 E C -0.329 176.191 176.600 -0.133 0.000 1.041 248 E CA -0.060 56.264 56.400 -0.127 0.000 0.883 248 E CB 0.385 30.024 29.700 -0.101 0.000 1.024 248 E HN 0.187 nan 8.360 nan 0.000 0.470 249 K N 1.050 121.347 120.400 -0.172 0.000 3.278 249 K HA -0.172 4.152 4.320 0.005 0.000 0.270 249 K C -0.191 176.290 176.600 -0.199 0.000 0.955 249 K CA 0.161 56.339 56.287 -0.182 0.000 0.723 249 K CB -1.617 30.810 32.500 -0.122 0.000 1.382 249 K HN 0.222 nan 8.250 nan 0.000 0.461 250 L N 1.937 122.989 121.223 -0.284 0.000 2.416 250 L HA 0.006 4.349 4.340 0.005 0.000 0.243 250 L C 0.984 177.658 176.870 -0.326 0.000 1.373 250 L CA -0.112 54.554 54.840 -0.290 0.000 1.227 250 L CB -0.487 41.364 42.059 -0.347 0.000 1.428 250 L HN 0.289 nan 8.230 nan 0.000 0.425 251 D N -0.954 119.300 120.400 -0.243 0.000 2.348 251 D HA -0.127 4.517 4.640 0.005 0.000 0.248 251 D C 0.973 177.155 176.300 -0.196 0.000 1.142 251 D CA 0.117 53.982 54.000 -0.225 0.000 0.904 251 D CB -0.173 40.528 40.800 -0.164 0.000 0.901 251 D HN 0.422 nan 8.370 nan 0.000 0.523 252 N N 0.066 118.646 118.700 -0.200 0.000 2.234 252 N HA 0.108 4.851 4.740 0.005 0.000 0.227 252 N C -0.477 174.901 175.510 -0.219 0.000 1.151 252 N CA -0.508 52.437 53.050 -0.175 0.000 0.865 252 N CB 0.291 38.703 38.487 -0.125 0.000 1.066 252 N HN 0.205 nan 8.380 nan 0.000 0.515 253 L N 0.304 121.366 121.223 -0.268 0.000 2.362 253 L HA 0.660 5.004 4.340 0.005 0.000 0.275 253 L C -1.439 175.281 176.870 -0.250 0.000 0.998 253 L CA -0.839 53.843 54.840 -0.265 0.000 0.820 253 L CB 2.228 44.097 42.059 -0.317 0.000 1.270 253 L HN -0.121 nan 8.230 nan 0.000 0.415 254 V N 5.444 125.266 119.914 -0.154 0.000 2.482 254 V HA 0.445 4.568 4.120 0.005 0.000 0.295 254 V C -0.805 175.407 176.094 0.197 0.000 1.026 254 V CA -0.468 61.803 62.300 -0.049 0.000 0.856 254 V CB 1.448 33.194 31.823 -0.129 0.000 1.001 254 V HN 0.496 nan 8.190 nan 0.000 0.424 255 F N 3.917 123.864 119.950 -0.004 0.000 2.404 255 F HA 0.591 5.121 4.527 0.005 0.000 0.345 255 F C 0.251 175.873 175.800 -0.295 0.000 1.110 255 F CA -1.076 56.856 58.000 -0.113 0.000 1.130 255 F CB 1.910 40.827 39.000 -0.138 0.000 1.129 255 F HN 0.174 nan 8.300 nan 0.000 0.500 256 V N 6.459 126.194 119.914 -0.299 0.000 2.325 256 V HA 0.352 4.475 4.120 0.005 0.000 0.280 256 V C 0.012 175.880 176.094 -0.376 0.000 1.016 256 V CA -0.595 61.426 62.300 -0.465 0.000 0.818 256 V CB 1.123 32.410 31.823 -0.894 0.000 1.019 256 V HN 0.447 nan 8.190 nan 0.000 0.434 257 I N 4.011 124.399 120.570 -0.304 0.000 2.315 257 I HA 0.340 4.513 4.170 0.005 0.000 0.291 257 I C 0.311 176.325 176.117 -0.172 0.000 1.006 257 I CA -0.408 60.752 61.300 -0.233 0.000 1.265 257 I CB 1.293 39.140 38.000 -0.256 0.000 1.387 257 I HN 0.471 nan 8.210 nan 0.000 0.475 258 N N 6.451 125.094 118.700 -0.095 0.000 2.415 258 N HA 0.095 4.838 4.740 0.005 0.000 0.250 258 N C -0.744 174.736 175.510 -0.051 0.000 1.127 258 N CA -0.287 52.727 53.050 -0.061 0.000 0.945 258 N CB 0.371 38.866 38.487 0.012 0.000 1.196 258 N HN 0.543 nan 8.380 nan 0.000 0.499 259 C N 4.188 123.441 119.300 -0.078 0.000 2.298 259 C HA 0.182 4.645 4.460 0.005 0.000 0.451 259 C C 1.311 176.312 174.990 0.018 0.000 1.028 259 C CA -0.884 58.108 59.018 -0.044 0.000 1.324 259 C CB -1.960 25.723 27.740 -0.096 0.000 1.534 259 C HN 0.704 nan 8.230 nan 0.000 0.528 260 N N 1.258 119.976 118.700 0.031 0.000 2.322 260 N HA 0.071 4.814 4.740 0.005 0.000 0.194 260 N C 0.851 176.410 175.510 0.082 0.000 1.126 260 N CA -0.126 52.958 53.050 0.056 0.000 0.845 260 N CB -0.428 38.103 38.487 0.074 0.000 0.976 260 N HN 0.674 nan 8.380 nan 0.000 0.475 261 L N -2.887 118.381 121.223 0.075 0.000 5.051 261 L HA -0.313 4.030 4.340 0.005 0.000 0.432 261 L C -0.747 176.165 176.870 0.070 0.000 1.055 261 L CA 1.141 56.027 54.840 0.077 0.000 1.095 261 L CB -1.957 40.169 42.059 0.111 0.000 1.957 261 L HN 0.389 nan 8.230 nan 0.000 0.727 262 Q N 0.090 119.934 119.800 0.073 0.000 2.377 262 Q HA 0.689 5.032 4.340 0.005 0.000 0.271 262 Q C -0.015 176.029 176.000 0.073 0.000 1.077 262 Q CA -0.896 54.951 55.803 0.073 0.000 0.820 262 Q CB 2.401 31.191 28.738 0.087 0.000 1.347 262 Q HN 0.290 nan 8.270 nan 0.000 0.444 263 R N 0.303 120.840 120.500 0.062 0.000 2.948 263 R HA 0.419 4.763 4.340 0.005 0.000 0.216 263 R C 0.792 177.130 176.300 0.064 0.000 1.557 263 R CA -0.809 55.324 56.100 0.055 0.000 0.970 263 R CB -0.150 30.170 30.300 0.035 0.000 2.255 263 R HN 0.434 nan 8.270 nan 0.000 0.527 264 L N 0.334 121.587 121.223 0.049 0.000 2.049 264 L HA -0.012 4.331 4.340 0.005 0.000 0.203 264 L C 1.133 178.040 176.870 0.061 0.000 1.074 264 L CA 1.921 56.798 54.840 0.062 0.000 0.749 264 L CB -0.281 41.807 42.059 0.047 0.000 0.907 264 L HN 0.577 nan 8.230 nan 0.000 0.439 265 D N -0.348 120.079 120.400 0.045 0.000 2.340 265 D HA 0.310 4.953 4.640 0.005 0.000 0.220 265 D C 0.609 176.932 176.300 0.039 0.000 1.039 265 D CA 0.864 54.888 54.000 0.041 0.000 0.866 265 D CB 0.515 41.334 40.800 0.031 0.000 0.913 265 D HN 0.444 nan 8.370 nan 0.000 0.523 266 G N 0.147 108.972 108.800 0.043 0.000 2.323 266 G HA2 0.198 4.161 3.960 0.005 0.000 0.291 266 G HA3 0.198 4.161 3.960 0.005 0.000 0.291 266 G C -2.992 171.934 174.900 0.043 0.000 1.278 266 G CA -0.920 44.204 45.100 0.040 0.000 0.860 266 G HN -0.234 nan 8.290 nan 0.000 0.504 267 P HA 0.299 nan 4.420 nan 0.000 0.274 267 P C 1.205 178.527 177.300 0.036 0.000 1.231 267 P CA -0.202 62.924 63.100 0.043 0.000 0.790 267 P CB 1.586 33.311 31.700 0.041 0.000 0.951 268 V N 1.418 121.355 119.914 0.038 0.000 2.261 268 V HA -0.130 3.994 4.120 0.005 0.000 0.246 268 V C 1.424 177.532 176.094 0.023 0.000 1.047 268 V CA 2.765 65.082 62.300 0.029 0.000 1.015 268 V CB -1.338 30.501 31.823 0.027 0.000 0.642 268 V HN 0.853 nan 8.190 nan 0.000 0.446 269 T N -3.004 111.565 114.554 0.026 0.000 3.298 269 T HA 0.454 4.807 4.350 0.005 0.000 0.318 269 T C 0.885 175.600 174.700 0.025 0.000 1.165 269 T CA 0.144 62.257 62.100 0.021 0.000 1.557 269 T CB 0.657 69.534 68.868 0.016 0.000 0.898 269 T HN 0.294 nan 8.240 nan 0.000 0.585 270 G N 2.581 111.396 108.800 0.024 0.000 2.469 270 G HA2 -0.223 3.740 3.960 0.005 0.000 0.220 270 G HA3 -0.223 3.740 3.960 0.005 0.000 0.220 270 G C 1.111 176.021 174.900 0.016 0.000 1.136 270 G CA 0.729 45.843 45.100 0.023 0.000 0.759 270 G HN 0.674 nan 8.290 nan 0.000 0.562 271 N N 0.027 118.734 118.700 0.011 0.000 2.398 271 N HA 0.325 5.068 4.740 0.005 0.000 0.188 271 N C 0.948 176.462 175.510 0.006 0.000 1.122 271 N CA 0.296 53.350 53.050 0.006 0.000 0.866 271 N CB 0.614 39.103 38.487 0.004 0.000 0.970 271 N HN 0.381 nan 8.380 nan 0.000 0.462 272 G N -0.120 108.687 108.800 0.011 0.000 3.243 272 G HA2 0.511 4.474 3.960 0.005 0.000 0.248 272 G HA3 0.511 4.474 3.960 0.005 0.000 0.248 272 G C -1.188 173.716 174.900 0.008 0.000 1.267 272 G CA -0.619 44.484 45.100 0.005 0.000 0.906 272 G HN -0.030 nan 8.290 nan 0.000 0.592 273 K N 1.092 121.490 120.400 -0.004 0.000 2.664 273 K HA 0.244 4.567 4.320 0.005 0.000 0.234 273 K C 1.205 177.811 176.600 0.011 0.000 0.980 273 K CA -0.375 55.906 56.287 -0.010 0.000 0.996 273 K CB 1.726 34.172 32.500 -0.090 0.000 1.190 273 K HN 0.539 nan 8.250 nan 0.000 0.479 274 I N -0.813 119.768 120.570 0.019 0.000 2.264 274 I HA -0.296 3.877 4.170 0.005 0.000 0.248 274 I C 1.638 177.753 176.117 -0.003 0.000 1.111 274 I CA 1.366 62.671 61.300 0.009 0.000 1.382 274 I CB -0.378 37.626 38.000 0.006 0.000 1.060 274 I HN 0.446 nan 8.210 nan 0.000 0.418 275 I N 1.653 122.222 120.570 -0.002 0.000 2.226 275 I HA -0.246 3.928 4.170 0.005 0.000 0.245 275 I C 2.247 178.362 176.117 -0.003 0.000 1.100 275 I CA 1.483 62.760 61.300 -0.038 0.000 1.374 275 I CB -0.644 37.300 38.000 -0.092 0.000 1.057 275 I HN 0.303 nan 8.210 nan 0.000 0.413 276 N N 0.522 119.253 118.700 0.051 0.000 2.188 276 N HA -0.204 4.539 4.740 0.005 0.000 0.184 276 N C 1.727 177.247 175.510 0.018 0.000 1.018 276 N CA 1.054 54.128 53.050 0.039 0.000 0.858 276 N CB -0.240 38.268 38.487 0.034 0.000 0.989 276 N HN 0.424 nan 8.380 nan 0.000 0.426 277 E N 0.115 120.322 120.200 0.013 0.000 2.058 277 E HA -0.160 4.193 4.350 0.005 0.000 0.194 277 E C 1.473 178.092 176.600 0.032 0.000 0.997 277 E CA 0.835 57.243 56.400 0.014 0.000 0.801 277 E CB -0.000 29.706 29.700 0.010 0.000 0.746 277 E HN 0.044 nan 8.360 nan 0.000 0.450 278 L N 1.628 122.870 121.223 0.031 0.000 2.017 278 L HA -0.170 4.173 4.340 0.005 0.000 0.208 278 L C 2.412 179.342 176.870 0.100 0.000 1.073 278 L CA 2.015 56.902 54.840 0.079 0.000 0.745 278 L CB -1.032 41.002 42.059 -0.043 0.000 0.894 278 L HN 0.295 nan 8.230 nan 0.000 0.432 279 E N -0.915 119.291 120.200 0.010 0.000 2.077 279 E HA -0.190 4.164 4.350 0.005 0.000 0.193 279 E C 2.159 178.788 176.600 0.048 0.000 0.989 279 E CA 1.131 57.537 56.400 0.011 0.000 0.800 279 E CB -0.287 29.401 29.700 -0.020 0.000 0.746 279 E HN 0.481 nan 8.360 nan 0.000 0.452 280 G N 1.543 110.363 108.800 0.034 0.000 2.446 280 G HA2 -0.276 3.687 3.960 0.005 0.000 0.217 280 G HA3 -0.276 3.687 3.960 0.005 0.000 0.217 280 G C 1.603 176.509 174.900 0.009 0.000 1.168 280 G CA 0.852 45.964 45.100 0.020 0.000 0.771 280 G HN 0.395 nan 8.290 nan 0.000 0.551 281 I N -1.292 119.281 120.570 0.004 0.000 2.406 281 I HA 0.088 4.262 4.170 0.005 0.000 0.249 281 I C 2.336 178.353 176.117 -0.166 0.000 1.122 281 I CA 0.575 61.823 61.300 -0.086 0.000 1.431 281 I CB 0.055 37.975 38.000 -0.133 0.000 1.087 281 I HN 0.138 nan 8.210 nan 0.000 0.424 282 F N 1.435 121.268 119.950 -0.194 0.000 2.134 282 F HA -0.230 4.300 4.527 0.005 0.000 0.299 282 F C 2.501 178.246 175.800 -0.091 0.000 1.097 282 F CA 1.830 59.653 58.000 -0.295 0.000 1.264 282 F CB -0.504 38.255 39.000 -0.402 0.000 1.001 282 F HN 0.114 nan 8.300 nan 0.000 0.479 283 E N 0.302 120.577 120.200 0.126 0.000 2.058 283 E HA -0.133 4.220 4.350 0.005 0.000 0.194 283 E C 2.488 179.123 176.600 0.059 0.000 0.997 283 E CA 1.602 58.059 56.400 0.096 0.000 0.801 283 E CB -0.927 28.806 29.700 0.055 0.000 0.746 283 E HN 0.265 nan 8.360 nan 0.000 0.450 284 G N 0.037 108.847 108.800 0.016 0.000 2.442 284 G HA2 -0.228 3.735 3.960 0.005 0.000 0.219 284 G HA3 -0.228 3.735 3.960 0.005 0.000 0.219 284 G C 1.546 176.443 174.900 -0.005 0.000 1.141 284 G CA 0.859 45.956 45.100 -0.006 0.000 0.763 284 G HN 0.441 nan 8.290 nan 0.000 0.554 285 A N -0.290 122.520 122.820 -0.016 0.000 2.235 285 A HA 0.454 4.777 4.320 0.005 0.000 0.208 285 A C 1.963 179.639 177.584 0.154 0.000 1.172 285 A CA 1.296 53.345 52.037 0.019 0.000 0.786 285 A CB -0.517 18.424 19.000 -0.098 0.000 0.804 285 A HN 1.630 nan 8.150 nan 0.000 0.479 286 G N -2.820 106.067 108.800 0.144 0.000 2.132 286 G HA2 -0.246 3.717 3.960 0.005 0.000 0.228 286 G HA3 -0.246 3.717 3.960 0.005 0.000 0.228 286 G C -0.208 174.793 174.900 0.168 0.000 1.000 286 G CA 0.096 45.265 45.100 0.116 0.000 0.693 286 G HN 0.373 nan 8.290 nan 0.000 0.515 287 W N 0.146 121.427 121.300 -0.031 0.000 2.332 287 W HA 0.641 5.305 4.660 0.006 0.000 0.351 287 W C 0.485 176.983 176.519 -0.035 0.000 1.195 287 W CA -1.077 56.254 57.345 -0.024 0.000 1.334 287 W CB 0.549 30.058 29.460 0.083 0.000 1.206 287 W HN 0.176 nan 8.180 nan 0.000 0.637 288 N N 1.318 120.117 118.700 0.166 0.000 2.408 288 N HA 0.332 5.075 4.740 0.005 0.000 0.257 288 N C -1.385 174.165 175.510 0.065 0.000 1.064 288 N CA -0.330 52.754 53.050 0.056 0.000 0.952 288 N CB 0.721 39.190 38.487 -0.029 0.000 1.093 288 N HN 0.251 nan 8.380 nan 0.000 0.490 289 V N 2.359 122.286 119.914 0.023 0.000 2.398 289 V HA 0.622 4.746 4.120 0.005 0.000 0.286 289 V C -0.071 175.965 176.094 -0.098 0.000 1.026 289 V CA -0.698 61.574 62.300 -0.047 0.000 0.868 289 V CB 0.780 32.577 31.823 -0.043 0.000 0.982 289 V HN 0.496 nan 8.190 nan 0.000 0.443 290 I N 4.768 125.244 120.570 -0.156 0.000 2.382 290 I HA 0.480 4.653 4.170 0.005 0.000 0.286 290 I C 0.083 176.070 176.117 -0.218 0.000 1.002 290 I CA -0.568 60.627 61.300 -0.175 0.000 1.135 290 I CB 1.740 39.616 38.000 -0.206 0.000 1.288 290 I HN 0.612 nan 8.210 nan 0.000 0.448 291 K N 5.487 125.764 120.400 -0.206 0.000 2.227 291 K HA 0.516 4.839 4.320 0.005 0.000 0.280 291 K C -0.818 175.620 176.600 -0.271 0.000 1.041 291 K CA -0.558 55.570 56.287 -0.266 0.000 0.905 291 K CB 2.248 34.580 32.500 -0.280 0.000 1.068 291 K HN 0.312 nan 8.250 nan 0.000 0.470 292 V N 5.644 125.374 119.914 -0.307 0.000 2.250 292 V HA 0.091 4.214 4.120 0.005 0.000 0.268 292 V C 0.674 176.540 176.094 -0.381 0.000 1.043 292 V CA -0.390 61.749 62.300 -0.268 0.000 0.814 292 V CB 0.791 32.492 31.823 -0.205 0.000 1.072 292 V HN 0.809 nan 8.190 nan 0.000 0.451 293 M N 1.313 120.586 119.600 -0.545 0.000 2.398 293 M HA 0.247 4.730 4.480 0.005 0.000 0.261 293 M C 0.251 175.904 176.300 -1.079 0.000 1.125 293 M CA 1.153 55.823 55.300 -1.051 0.000 1.183 293 M CB -0.025 31.646 32.600 -1.548 0.000 1.322 293 M HN 0.523 nan 8.290 nan 0.000 0.467 294 W N -0.167 121.017 121.300 -0.194 0.000 2.844 294 W HA 0.632 5.295 4.660 0.005 0.000 0.340 294 W C 0.560 177.105 176.519 0.043 0.000 1.093 294 W CA -1.242 55.977 57.345 -0.210 0.000 1.212 294 W CB 0.738 29.854 29.460 -0.574 0.000 1.422 294 W HN 0.103 nan 8.180 nan 0.000 0.515 295 G N 0.193 109.303 108.800 0.515 0.000 2.653 295 G HA2 0.190 4.153 3.960 0.005 0.000 0.265 295 G HA3 0.190 4.153 3.960 0.005 0.000 0.265 295 G C 0.640 175.796 174.900 0.427 0.000 1.237 295 G CA -0.462 44.880 45.100 0.404 0.000 0.946 295 G HN 0.519 nan 8.290 nan 0.000 0.522 296 S N -0.559 115.309 115.700 0.279 0.000 2.442 296 S HA -0.098 4.375 4.470 0.005 0.000 0.236 296 S C 2.320 177.065 174.600 0.242 0.000 1.007 296 S CA 0.769 59.106 58.200 0.229 0.000 0.965 296 S CB -0.143 63.141 63.200 0.140 0.000 0.773 296 S HN 0.542 nan 8.310 nan 0.000 0.504 297 R N -0.378 120.268 120.500 0.243 0.000 2.237 297 R HA -0.055 4.288 4.340 0.005 0.000 0.219 297 R C 1.429 177.854 176.300 0.209 0.000 1.080 297 R CA 0.989 57.189 56.100 0.167 0.000 0.995 297 R CB -0.239 30.108 30.300 0.079 0.000 0.875 297 R HN 0.500 nan 8.270 nan 0.000 0.462 298 W N 1.196 122.622 121.300 0.210 0.000 2.770 298 W HA -0.005 4.658 4.660 0.005 0.000 0.256 298 W C 1.506 178.111 176.519 0.143 0.000 1.291 298 W CA 0.162 57.603 57.345 0.161 0.000 1.396 298 W CB 0.076 29.606 29.460 0.116 0.000 1.114 298 W HN 0.015 nan 8.180 nan 0.000 0.637 299 D N 0.866 121.484 120.400 0.364 0.000 2.104 299 D HA -0.239 4.404 4.640 0.005 0.000 0.194 299 D C 1.914 178.338 176.300 0.206 0.000 0.994 299 D CA 2.091 56.244 54.000 0.254 0.000 0.830 299 D CB -0.695 40.225 40.800 0.199 0.000 0.959 299 D HN 0.456 nan 8.370 nan 0.000 0.452 300 E N 0.550 120.869 120.200 0.198 0.000 2.077 300 E HA -0.177 4.176 4.350 0.005 0.000 0.193 300 E C 2.110 178.815 176.600 0.174 0.000 0.989 300 E CA 0.605 57.108 56.400 0.172 0.000 0.800 300 E CB -0.389 29.418 29.700 0.178 0.000 0.746 300 E HN 0.088 nan 8.360 nan 0.000 0.452 301 L N 1.188 122.530 121.223 0.199 0.000 1.989 301 L HA -0.155 4.188 4.340 0.005 0.000 0.211 301 L C 2.544 179.504 176.870 0.151 0.000 1.071 301 L CA 1.585 56.505 54.840 0.133 0.000 0.749 301 L CB -0.922 41.190 42.059 0.088 0.000 0.890 301 L HN 0.251 nan 8.230 nan 0.000 0.431 302 L N -1.362 119.981 121.223 0.199 0.000 2.083 302 L HA -0.221 4.122 4.340 0.005 0.000 0.209 302 L C 2.760 179.701 176.870 0.118 0.000 1.083 302 L CA 1.081 56.017 54.840 0.161 0.000 0.752 302 L CB -0.413 41.752 42.059 0.176 0.000 0.899 302 L HN 0.292 nan 8.230 nan 0.000 0.433 303 R N 1.200 121.771 120.500 0.118 0.000 2.066 303 R HA -0.179 4.164 4.340 0.005 0.000 0.232 303 R C 2.343 178.687 176.300 0.075 0.000 1.131 303 R CA 1.718 57.873 56.100 0.092 0.000 0.955 303 R CB -0.058 30.298 30.300 0.092 0.000 0.851 303 R HN 0.385 nan 8.270 nan 0.000 0.432 304 K N -0.125 120.322 120.400 0.078 0.000 2.365 304 K HA -0.096 4.227 4.320 0.005 0.000 0.199 304 K C 0.141 176.769 176.600 0.047 0.000 1.045 304 K CA 1.126 57.449 56.287 0.060 0.000 0.962 304 K CB -0.046 32.493 32.500 0.065 0.000 0.759 304 K HN -0.051 nan 8.250 nan 0.000 0.469 305 D N 2.655 123.086 120.400 0.052 0.000 2.455 305 D HA -0.016 4.627 4.640 0.005 0.000 0.234 305 D C 0.783 177.101 176.300 0.030 0.000 1.224 305 D CA 0.052 54.075 54.000 0.039 0.000 0.999 305 D CB 0.997 41.826 40.800 0.048 0.000 1.072 305 D HN 0.328 nan 8.370 nan 0.000 0.514 306 T N -0.766 113.801 114.554 0.021 0.000 3.035 306 T HA -0.159 4.194 4.350 0.005 0.000 0.268 306 T C 1.830 176.532 174.700 0.003 0.000 1.109 306 T CA 0.999 63.108 62.100 0.015 0.000 1.119 306 T CB -0.231 68.645 68.868 0.014 0.000 0.900 306 T HN 0.235 nan 8.240 nan 0.000 0.503 307 S N 0.836 116.533 115.700 -0.005 0.000 2.453 307 S HA 0.304 4.777 4.470 0.005 0.000 0.231 307 S C 2.175 176.753 174.600 -0.037 0.000 1.005 307 S CA 0.704 58.890 58.200 -0.024 0.000 0.949 307 S CB -0.988 62.191 63.200 -0.035 0.000 0.774 307 S HN 1.286 nan 8.310 nan 0.000 0.510 308 G N 1.364 110.150 108.800 -0.023 0.000 2.179 308 G HA2 -0.282 3.681 3.960 0.005 0.000 0.260 308 G HA3 -0.282 3.681 3.960 0.005 0.000 0.260 308 G C 0.966 175.828 174.900 -0.063 0.000 0.977 308 G CA 0.518 45.602 45.100 -0.026 0.000 0.641 308 G HN 0.409 nan 8.290 nan 0.000 0.533 309 K N -0.375 119.964 120.400 -0.101 0.000 2.148 309 K HA 0.132 4.455 4.320 0.005 0.000 0.204 309 K C 2.475 179.003 176.600 -0.120 0.000 1.050 309 K CA 1.398 57.565 56.287 -0.201 0.000 0.942 309 K CB -0.352 31.994 32.500 -0.257 0.000 0.724 309 K HN 0.514 nan 8.250 nan 0.000 0.446 310 L N 1.436 122.643 121.223 -0.026 0.000 2.046 310 L HA -0.101 4.242 4.340 0.005 0.000 0.208 310 L C 2.011 178.900 176.870 0.031 0.000 1.077 310 L CA 1.434 56.286 54.840 0.021 0.000 0.747 310 L CB -0.419 41.702 42.059 0.103 0.000 0.896 310 L HN 0.065 nan 8.230 nan 0.000 0.432 311 I N -0.871 119.724 120.570 0.041 0.000 2.179 311 I HA -0.330 3.844 4.170 0.005 0.000 0.242 311 I C 2.600 178.757 176.117 0.067 0.000 1.088 311 I CA 1.599 62.946 61.300 0.078 0.000 1.357 311 I CB -0.374 37.667 38.000 0.069 0.000 1.051 311 I HN 0.476 nan 8.210 nan 0.000 0.409 312 Q N 0.853 120.650 119.800 -0.006 0.000 2.077 312 Q HA -0.283 4.060 4.340 0.005 0.000 0.206 312 Q C 2.343 178.356 176.000 0.021 0.000 0.989 312 Q CA 1.998 57.784 55.803 -0.028 0.000 0.853 312 Q CB -0.166 28.485 28.738 -0.144 0.000 0.907 312 Q HN 0.414 nan 8.270 nan 0.000 0.418 313 L N 0.322 121.550 121.223 0.008 0.000 2.046 313 L HA -0.174 4.169 4.340 0.005 0.000 0.208 313 L C 2.190 179.129 176.870 0.116 0.000 1.077 313 L CA 1.841 56.703 54.840 0.036 0.000 0.747 313 L CB -0.350 41.618 42.059 -0.152 0.000 0.896 313 L HN 0.318 nan 8.230 nan 0.000 0.432 314 M N -0.746 118.989 119.600 0.224 0.000 2.175 314 M HA -0.154 4.330 4.480 0.005 0.000 0.264 314 M C 1.882 178.398 176.300 0.359 0.000 1.063 314 M CA 1.301 56.917 55.300 0.527 0.000 1.119 314 M CB -0.525 32.417 32.600 0.572 0.000 1.377 314 M HN 0.305 nan 8.290 nan 0.000 0.415 315 N N 0.921 119.740 118.700 0.199 0.000 2.120 315 N HA -0.173 4.570 4.740 0.005 0.000 0.188 315 N C 1.551 177.057 175.510 -0.006 0.000 1.024 315 N CA 1.701 54.787 53.050 0.062 0.000 0.852 315 N CB -0.397 38.133 38.487 0.073 0.000 1.003 315 N HN 0.609 nan 8.380 nan 0.000 0.424 316 E N -0.124 120.105 120.200 0.048 0.000 2.285 316 E HA -0.006 4.347 4.350 0.005 0.000 0.194 316 E C -0.071 176.548 176.600 0.032 0.000 0.997 316 E CA 0.444 56.865 56.400 0.036 0.000 0.845 316 E CB -0.310 29.428 29.700 0.063 0.000 0.782 316 E HN -0.056 nan 8.360 nan 0.000 0.491 317 T N 2.884 117.477 114.554 0.065 0.000 2.888 317 T HA 0.231 4.584 4.350 0.005 0.000 0.301 317 T C 0.278 174.992 174.700 0.024 0.000 1.001 317 T CA -0.188 61.914 62.100 0.003 0.000 1.147 317 T CB 1.349 70.155 68.868 -0.104 0.000 0.931 317 T HN 0.219 nan 8.240 nan 0.000 0.541 318 V N 0.993 120.900 119.914 -0.012 0.000 2.997 318 V HA 0.370 4.493 4.120 0.005 0.000 0.311 318 V C 1.008 177.189 176.094 0.146 0.000 1.066 318 V CA -0.722 61.606 62.300 0.047 0.000 1.039 318 V CB 0.931 32.759 31.823 0.008 0.000 1.081 318 V HN 0.635 nan 8.190 nan 0.000 0.467 319 D N 2.818 123.320 120.400 0.171 0.000 2.133 319 D HA -0.126 4.517 4.640 0.005 0.000 0.195 319 D C 2.091 178.467 176.300 0.128 0.000 0.997 319 D CA 2.231 56.358 54.000 0.213 0.000 0.840 319 D CB -0.688 40.184 40.800 0.120 0.000 0.947 319 D HN 0.887 nan 8.370 nan 0.000 0.452 320 G N 0.768 109.591 108.800 0.037 0.000 2.469 320 G HA2 -0.273 3.690 3.960 0.005 0.000 0.219 320 G HA3 -0.273 3.690 3.960 0.005 0.000 0.219 320 G C 1.352 176.184 174.900 -0.113 0.000 1.150 320 G CA 1.034 46.122 45.100 -0.019 0.000 0.763 320 G HN 0.169 nan 8.290 nan 0.000 0.561 321 D N -0.434 119.841 120.400 -0.209 0.000 2.123 321 D HA -0.040 4.604 4.640 0.005 0.000 0.200 321 D C 2.124 177.848 176.300 -0.959 0.000 0.976 321 D CA 0.548 54.224 54.000 -0.539 0.000 0.831 321 D CB -0.306 40.196 40.800 -0.498 0.000 0.974 321 D HN 0.366 nan 8.370 nan 0.000 0.469 322 Y N 1.426 121.462 120.300 -0.440 0.000 2.207 322 Y HA -0.154 4.399 4.550 0.006 0.000 0.287 322 Y C 2.520 178.363 175.900 -0.094 0.000 1.156 322 Y CA 0.994 58.998 58.100 -0.161 0.000 1.182 322 Y CB -0.145 38.431 38.460 0.193 0.000 0.979 322 Y HN -0.036 nan 8.280 nan 0.000 0.521 323 Q N -0.817 119.018 119.800 0.058 0.000 2.123 323 Q HA -0.116 4.227 4.340 0.005 0.000 0.199 323 Q C 2.269 178.261 176.000 -0.013 0.000 0.966 323 Q CA 1.710 57.548 55.803 0.059 0.000 0.845 323 Q CB -0.831 27.938 28.738 0.051 0.000 0.907 323 Q HN 0.413 nan 8.270 nan 0.000 0.439 324 T N 1.298 115.757 114.554 -0.159 0.000 2.788 324 T HA -0.103 4.250 4.350 0.005 0.000 0.268 324 T C 1.501 176.140 174.700 -0.102 0.000 1.044 324 T CA 0.996 62.990 62.100 -0.176 0.000 1.139 324 T CB -0.250 68.470 68.868 -0.247 0.000 0.867 324 T HN 0.116 nan 8.240 nan 0.000 0.454 325 F N 2.383 122.349 119.950 0.028 0.000 2.095 325 F HA -0.062 4.468 4.527 0.004 0.000 0.298 325 F C 2.207 178.139 175.800 0.219 0.000 1.104 325 F CA 0.986 59.045 58.000 0.098 0.000 1.232 325 F CB -1.026 38.077 39.000 0.173 0.000 0.987 325 F HN 0.260 nan 8.300 nan 0.000 0.475 326 K N 0.383 121.004 120.400 0.368 0.000 2.442 326 K HA -0.064 4.259 4.320 0.005 0.000 0.198 326 K C 1.495 178.308 176.600 0.355 0.000 1.042 326 K CA 1.314 57.768 56.287 0.278 0.000 0.958 326 K CB -0.735 31.854 32.500 0.149 0.000 0.766 326 K HN 0.261 nan 8.250 nan 0.000 0.474 327 S N -1.164 114.679 115.700 0.237 0.000 2.524 327 S HA 0.181 4.654 4.470 0.005 0.000 0.216 327 S C 0.952 175.605 174.600 0.089 0.000 0.987 327 S CA -0.507 57.779 58.200 0.144 0.000 0.909 327 S CB 0.109 63.334 63.200 0.041 0.000 0.781 327 S HN 0.066 nan 8.310 nan 0.000 0.521 328 K N 1.812 122.261 120.400 0.083 0.000 3.908 328 K HA 0.463 4.787 4.320 0.005 0.000 0.232 328 K C -0.218 176.183 176.600 -0.332 0.000 1.059 328 K CA 0.093 56.300 56.287 -0.133 0.000 1.818 328 K CB -0.417 31.802 32.500 -0.468 0.000 2.817 328 K HN 0.534 nan 8.250 nan 0.000 0.754 329 D N -3.044 117.090 120.400 -0.444 0.000 2.752 329 D HA 0.251 4.894 4.640 0.005 0.000 0.313 329 D C 0.975 177.020 176.300 -0.425 0.000 1.225 329 D CA -0.399 52.947 54.000 -1.091 0.000 0.976 329 D CB -0.010 40.410 40.800 -0.634 0.000 1.443 329 D HN 0.313 nan 8.370 nan 0.000 0.515 330 G N -0.330 108.272 108.800 -0.331 0.000 2.418 330 G HA2 -0.058 3.905 3.960 0.005 0.000 0.217 330 G HA3 -0.058 3.905 3.960 0.005 0.000 0.217 330 G C 1.394 176.402 174.900 0.180 0.000 1.158 330 G CA 1.657 46.871 45.100 0.190 0.000 0.771 330 G HN 0.706 nan 8.290 nan 0.000 0.545 331 A N -0.038 122.835 122.820 0.088 0.000 1.908 331 A HA -0.074 4.249 4.320 0.005 0.000 0.218 331 A C 2.224 179.918 177.584 0.184 0.000 1.181 331 A CA 1.779 53.879 52.037 0.105 0.000 0.627 331 A CB -0.719 18.316 19.000 0.057 0.000 0.818 331 A HN 0.452 nan 8.150 nan 0.000 0.445 332 Y N 0.591 120.963 120.300 0.121 0.000 2.145 332 Y HA -0.188 4.365 4.550 0.004 0.000 0.286 332 Y C 2.433 178.514 175.900 0.300 0.000 1.145 332 Y CA 1.886 60.143 58.100 0.261 0.000 1.148 332 Y CB -0.442 38.152 38.460 0.223 0.000 0.981 332 Y HN 0.065 nan 8.280 nan 0.000 0.507 333 V N 1.054 121.276 119.914 0.514 0.000 2.407 333 V HA -0.319 3.804 4.120 0.005 0.000 0.248 333 V C 2.572 178.834 176.094 0.279 0.000 1.055 333 V CA 2.270 64.745 62.300 0.291 0.000 1.049 333 V CB -0.737 31.261 31.823 0.291 0.000 0.662 333 V HN 0.380 nan 8.190 nan 0.000 0.455 334 R N -0.005 120.664 120.500 0.281 0.000 2.081 334 R HA -0.229 4.114 4.340 0.005 0.000 0.235 334 R C 2.346 178.712 176.300 0.109 0.000 1.131 334 R CA 2.195 58.436 56.100 0.234 0.000 0.960 334 R CB -0.161 30.209 30.300 0.116 0.000 0.856 334 R HN 0.714 nan 8.270 nan 0.000 0.436 335 E N -0.865 119.333 120.200 -0.005 0.000 2.033 335 E HA -0.167 4.186 4.350 0.005 0.000 0.189 335 E C 1.503 177.912 176.600 -0.319 0.000 0.979 335 E CA 1.144 57.414 56.400 -0.217 0.000 0.802 335 E CB 0.004 29.468 29.700 -0.393 0.000 0.763 335 E HN 0.541 nan 8.360 nan 0.000 0.449 336 H N -1.708 117.306 119.070 -0.093 0.000 2.512 336 H HA 0.086 4.645 4.556 0.004 0.000 0.279 336 H C 0.963 176.339 175.328 0.079 0.000 0.999 336 H CA 1.121 57.160 56.048 -0.015 0.000 1.283 336 H CB 0.270 30.048 29.762 0.026 0.000 1.421 336 H HN 0.194 nan 8.280 nan 0.000 0.554 337 F N -0.915 118.944 119.950 -0.152 0.000 2.484 337 F HA 0.107 4.636 4.527 0.004 0.000 0.268 337 F C 1.286 176.906 175.800 -0.300 0.000 0.965 337 F CA 0.073 57.859 58.000 -0.358 0.000 1.119 337 F CB -0.553 37.917 39.000 -0.883 0.000 1.153 337 F HN -0.090 nan 8.300 nan 0.000 0.689 338 F N 1.262 121.182 119.950 -0.052 0.000 2.216 338 F HA 0.023 4.553 4.527 0.005 0.000 0.300 338 F C 2.592 178.295 175.800 -0.162 0.000 1.085 338 F CA 1.403 59.309 58.000 -0.156 0.000 1.326 338 F CB -1.363 37.591 39.000 -0.076 0.000 1.027 338 F HN 0.169 nan 8.300 nan 0.000 0.497 339 G N -0.806 107.999 108.800 0.008 0.000 2.708 339 G HA2 -0.230 3.733 3.960 0.005 0.000 0.210 339 G HA3 -0.230 3.733 3.960 0.005 0.000 0.210 339 G C 1.616 176.410 174.900 -0.177 0.000 1.141 339 G CA 0.373 45.426 45.100 -0.078 0.000 0.788 339 G HN 0.249 nan 8.290 nan 0.000 0.531 340 K N -0.830 119.403 120.400 -0.279 0.000 2.211 340 K HA 0.029 4.352 4.320 0.005 0.000 0.203 340 K C -0.372 175.754 176.600 -0.791 0.000 1.050 340 K CA 0.653 56.609 56.287 -0.551 0.000 0.945 340 K CB -0.073 32.013 32.500 -0.689 0.000 0.732 340 K HN 0.367 nan 8.250 nan 0.000 0.451 341 Y N -2.094 118.154 120.300 -0.086 0.000 2.534 341 Y HA 0.254 4.808 4.550 0.007 0.000 0.345 341 Y C -2.097 173.776 175.900 -0.044 0.000 1.031 341 Y CA -2.695 55.367 58.100 -0.062 0.000 1.022 341 Y CB 1.825 40.243 38.460 -0.069 0.000 1.292 341 Y HN -0.184 nan 8.280 nan 0.000 0.459 342 P HA -0.143 nan 4.420 nan 0.000 0.217 342 P C 1.052 178.384 177.300 0.053 0.000 1.150 342 P CA 1.731 64.866 63.100 0.059 0.000 0.832 342 P CB 0.447 32.173 31.700 0.044 0.000 0.787 343 E N -0.513 119.728 120.200 0.068 0.000 2.152 343 E HA -0.111 4.242 4.350 0.005 0.000 0.192 343 E C 1.602 178.229 176.600 0.045 0.000 0.983 343 E CA 1.863 58.284 56.400 0.035 0.000 0.818 343 E CB -1.705 28.000 29.700 0.009 0.000 0.758 343 E HN 0.316 nan 8.360 nan 0.000 0.467 344 T N -0.349 114.263 114.554 0.096 0.000 2.857 344 T HA 0.180 4.533 4.350 0.005 0.000 0.266 344 T C 2.227 176.999 174.700 0.119 0.000 1.048 344 T CA 1.030 63.212 62.100 0.136 0.000 1.139 344 T CB -0.241 68.719 68.868 0.154 0.000 0.874 344 T HN 0.234 nan 8.240 nan 0.000 0.455 345 A N 1.935 124.800 122.820 0.075 0.000 1.933 345 A HA 0.316 4.639 4.320 0.005 0.000 0.218 345 A C 2.738 180.287 177.584 -0.058 0.000 1.175 345 A CA 1.727 53.775 52.037 0.017 0.000 0.628 345 A CB -1.280 17.724 19.000 0.007 0.000 0.814 345 A HN 0.719 nan 8.150 nan 0.000 0.444 346 A N -0.438 122.359 122.820 -0.038 0.000 2.066 346 A HA 0.108 4.431 4.320 0.005 0.000 0.218 346 A C 2.013 179.539 177.584 -0.098 0.000 1.157 346 A CA 1.085 53.091 52.037 -0.052 0.000 0.670 346 A CB -0.494 18.494 19.000 -0.020 0.000 0.804 346 A HN 0.476 nan 8.150 nan 0.000 0.453 347 L N -0.367 120.769 121.223 -0.144 0.000 2.201 347 L HA -0.104 4.239 4.340 0.005 0.000 0.212 347 L C 1.812 178.382 176.870 -0.500 0.000 1.105 347 L CA 1.387 56.089 54.840 -0.230 0.000 0.775 347 L CB -0.222 41.718 42.059 -0.199 0.000 0.913 347 L HN 0.456 nan 8.230 nan 0.000 0.440 348 V N -5.890 113.647 119.914 -0.629 0.000 3.346 348 V HA 0.401 4.524 4.120 0.005 0.000 0.309 348 V C 2.023 177.934 176.094 -0.305 0.000 1.457 348 V CA 0.348 62.115 62.300 -0.889 0.000 1.069 348 V CB 0.042 31.056 31.823 -1.348 0.000 0.944 348 V HN 0.112 nan 8.190 nan 0.000 0.449 349 A N 2.468 125.190 122.820 -0.163 0.000 1.948 349 A HA -0.249 4.075 4.320 0.005 0.000 0.220 349 A C 1.794 179.396 177.584 0.030 0.000 1.177 349 A CA 2.341 54.347 52.037 -0.051 0.000 0.636 349 A CB -0.627 18.354 19.000 -0.033 0.000 0.815 349 A HN 0.810 nan 8.150 nan 0.000 0.449 350 D N -2.730 117.733 120.400 0.105 0.000 2.325 350 D HA 0.047 4.690 4.640 0.005 0.000 0.225 350 D C -0.184 176.259 176.300 0.237 0.000 1.096 350 D CA -0.280 53.809 54.000 0.148 0.000 0.844 350 D CB -0.271 40.604 40.800 0.125 0.000 0.925 350 D HN 0.481 nan 8.370 nan 0.000 0.513 351 W N 1.861 123.098 121.300 -0.104 0.000 2.448 351 W HA 0.391 5.054 4.660 0.005 0.000 0.339 351 W C 0.870 177.344 176.519 -0.077 0.000 1.124 351 W CA -0.907 56.374 57.345 -0.106 0.000 1.262 351 W CB 0.960 30.319 29.460 -0.168 0.000 1.251 351 W HN -0.236 nan 8.180 nan 0.000 0.597 352 T N -1.767 112.872 114.554 0.142 0.000 2.847 352 T HA 0.137 4.490 4.350 0.005 0.000 0.279 352 T C 0.640 175.419 174.700 0.132 0.000 0.984 352 T CA -0.470 61.684 62.100 0.090 0.000 0.988 352 T CB 1.139 70.028 68.868 0.037 0.000 1.040 352 T HN 0.307 nan 8.240 nan 0.000 0.528 353 D N 0.446 120.905 120.400 0.098 0.000 2.144 353 D HA -0.051 4.592 4.640 0.005 0.000 0.199 353 D C 1.952 178.354 176.300 0.169 0.000 0.984 353 D CA 1.115 55.187 54.000 0.119 0.000 0.834 353 D CB -0.172 40.668 40.800 0.067 0.000 0.955 353 D HN 0.671 nan 8.370 nan 0.000 0.465 354 E N 0.662 120.939 120.200 0.128 0.000 2.110 354 E HA -0.136 4.217 4.350 0.005 0.000 0.193 354 E C 2.089 178.802 176.600 0.188 0.000 0.988 354 E CA 0.791 57.286 56.400 0.158 0.000 0.804 354 E CB -0.234 29.517 29.700 0.085 0.000 0.745 354 E HN 0.407 nan 8.360 nan 0.000 0.458 355 Q N -0.229 119.654 119.800 0.139 0.000 2.172 355 Q HA -0.021 4.322 4.340 0.005 0.000 0.200 355 Q C 2.149 178.337 176.000 0.313 0.000 0.964 355 Q CA 0.802 56.671 55.803 0.110 0.000 0.855 355 Q CB -0.018 28.680 28.738 -0.067 0.000 0.918 355 Q HN 0.340 nan 8.270 nan 0.000 0.444 356 I N -0.359 120.429 120.570 0.362 0.000 2.286 356 I HA -0.243 3.930 4.170 0.005 0.000 0.245 356 I C 2.113 178.409 176.117 0.299 0.000 1.104 356 I CA 0.885 62.359 61.300 0.290 0.000 1.397 356 I CB -0.337 37.781 38.000 0.197 0.000 1.072 356 I HN 0.468 nan 8.210 nan 0.000 0.417 357 W N 1.834 123.203 121.300 0.115 0.000 2.392 357 W HA -0.213 4.451 4.660 0.006 0.000 0.279 357 W C 2.326 178.906 176.519 0.102 0.000 1.225 357 W CA 1.126 58.536 57.345 0.108 0.000 1.233 357 W CB 0.187 29.700 29.460 0.088 0.000 1.122 357 W HN 0.143 nan 8.180 nan 0.000 0.561 358 A N 0.649 123.548 122.820 0.132 0.000 2.121 358 A HA -0.026 4.298 4.320 0.005 0.000 0.218 358 A C 1.089 178.672 177.584 -0.000 0.000 1.154 358 A CA 0.424 52.476 52.037 0.024 0.000 0.679 358 A CB -0.868 18.160 19.000 0.047 0.000 0.795 358 A HN 0.177 nan 8.150 nan 0.000 0.458 359 L N 1.207 122.425 121.223 -0.008 0.000 2.578 359 L HA 0.006 4.349 4.340 0.005 0.000 0.279 359 L C 0.313 177.298 176.870 0.191 0.000 1.227 359 L CA -0.039 54.768 54.840 -0.055 0.000 0.900 359 L CB -0.104 41.722 42.059 -0.387 0.000 1.144 359 L HN 0.342 nan 8.230 nan 0.000 0.496 360 N N 2.511 121.456 118.700 0.409 0.000 2.469 360 N HA 0.446 5.189 4.740 0.005 0.000 0.286 360 N C -0.781 175.047 175.510 0.529 0.000 1.275 360 N CA -0.786 52.488 53.050 0.374 0.000 0.790 360 N CB 1.664 40.295 38.487 0.239 0.000 1.446 360 N HN 0.373 nan 8.380 nan 0.000 0.501 361 R N -0.645 120.026 120.500 0.285 0.000 2.531 361 R HA 0.320 4.663 4.340 0.005 0.000 0.273 361 R C 1.282 177.618 176.300 0.060 0.000 1.070 361 R CA -0.112 56.024 56.100 0.059 0.000 1.112 361 R CB 0.382 30.473 30.300 -0.348 0.000 1.049 361 R HN 0.747 nan 8.270 nan 0.000 0.508 362 G N 1.114 109.873 108.800 -0.069 0.000 2.442 362 G HA2 -0.238 3.725 3.960 0.005 0.000 0.219 362 G HA3 -0.238 3.725 3.960 0.005 0.000 0.219 362 G C 1.268 176.108 174.900 -0.101 0.000 1.141 362 G CA 0.768 45.835 45.100 -0.055 0.000 0.763 362 G HN 0.743 nan 8.290 nan 0.000 0.554 363 G N -0.973 107.697 108.800 -0.217 0.000 2.653 363 G HA2 -0.073 3.890 3.960 0.005 0.000 0.212 363 G HA3 -0.073 3.890 3.960 0.005 0.000 0.212 363 G C 1.186 175.822 174.900 -0.439 0.000 1.138 363 G CA 0.412 45.329 45.100 -0.305 0.000 0.782 363 G HN 0.558 nan 8.290 nan 0.000 0.535 364 H N -0.636 118.343 119.070 -0.151 0.000 2.594 364 H HA 0.131 4.691 4.556 0.005 0.000 0.279 364 H C -0.508 174.784 175.328 -0.061 0.000 1.042 364 H CA -0.190 55.739 56.048 -0.198 0.000 1.177 364 H CB 1.047 30.594 29.762 -0.358 0.000 1.524 364 H HN 0.245 nan 8.280 nan 0.000 0.537 365 D N 1.121 121.550 120.400 0.049 0.000 2.453 365 D HA 0.162 4.805 4.640 0.005 0.000 0.238 365 D C -1.936 174.380 176.300 0.027 0.000 1.088 365 D CA -2.268 51.766 54.000 0.057 0.000 0.854 365 D CB 2.240 43.094 40.800 0.091 0.000 1.076 365 D HN -0.042 nan 8.370 nan 0.000 0.533 366 P HA -0.170 nan 4.420 nan 0.000 0.217 366 P C 1.003 178.300 177.300 -0.006 0.000 1.151 366 P CA 1.410 64.479 63.100 -0.051 0.000 0.849 366 P CB 0.425 31.946 31.700 -0.297 0.000 0.787 367 K N -0.591 119.754 120.400 -0.091 0.000 2.097 367 K HA -0.109 4.214 4.320 0.005 0.000 0.205 367 K C 1.932 178.650 176.600 0.196 0.000 1.050 367 K CA 1.093 57.424 56.287 0.073 0.000 0.938 367 K CB -0.156 32.359 32.500 0.026 0.000 0.718 367 K HN 0.049 nan 8.250 nan 0.000 0.442 368 K N 0.810 121.288 120.400 0.131 0.000 2.103 368 K HA -0.015 4.308 4.320 0.005 0.000 0.204 368 K C 2.088 178.761 176.600 0.123 0.000 1.052 368 K CA 1.024 57.378 56.287 0.111 0.000 0.945 368 K CB -0.240 32.298 32.500 0.065 0.000 0.722 368 K HN 0.168 nan 8.250 nan 0.000 0.443 369 I N 0.092 120.755 120.570 0.156 0.000 2.179 369 I HA -0.313 3.860 4.170 0.005 0.000 0.242 369 I C 2.432 178.753 176.117 0.340 0.000 1.088 369 I CA 1.283 62.709 61.300 0.210 0.000 1.357 369 I CB -0.396 37.736 38.000 0.219 0.000 1.051 369 I HN 0.024 nan 8.210 nan 0.000 0.409 370 Y N 1.715 122.202 120.300 0.312 0.000 2.128 370 Y HA -0.356 4.197 4.550 0.005 0.000 0.284 370 Y C 2.547 178.616 175.900 0.281 0.000 1.154 370 Y CA 1.641 59.978 58.100 0.395 0.000 1.149 370 Y CB -0.419 38.299 38.460 0.430 0.000 0.976 370 Y HN 0.145 nan 8.280 nan 0.000 0.505 371 A N 0.458 123.479 122.820 0.334 0.000 1.892 371 A HA -0.240 4.083 4.320 0.005 0.000 0.218 371 A C 2.429 180.011 177.584 -0.004 0.000 1.188 371 A CA 2.367 54.505 52.037 0.168 0.000 0.631 371 A CB -1.610 17.482 19.000 0.154 0.000 0.822 371 A HN 0.646 nan 8.150 nan 0.000 0.447 372 A N -1.307 121.479 122.820 -0.057 0.000 1.855 372 A HA 0.021 4.344 4.320 0.005 0.000 0.215 372 A C 1.987 179.339 177.584 -0.387 0.000 1.191 372 A CA 1.522 53.420 52.037 -0.232 0.000 0.613 372 A CB -0.788 18.020 19.000 -0.320 0.000 0.829 372 A HN 0.468 nan 8.150 nan 0.000 0.442 373 F N 0.112 119.829 119.950 -0.388 0.000 2.171 373 F HA -0.131 4.399 4.527 0.005 0.000 0.300 373 F C 2.312 177.809 175.800 -0.506 0.000 1.090 373 F CA 1.842 59.432 58.000 -0.684 0.000 1.293 373 F CB -0.103 37.977 39.000 -1.533 0.000 1.013 373 F HN 0.158 nan 8.300 nan 0.000 0.486 374 K N 1.138 121.434 120.400 -0.173 0.000 2.025 374 K HA -0.190 4.133 4.320 0.005 0.000 0.207 374 K C 1.999 178.584 176.600 -0.025 0.000 1.049 374 K CA 1.488 57.772 56.287 -0.004 0.000 0.933 374 K CB -0.342 32.071 32.500 -0.146 0.000 0.714 374 K HN -0.049 nan 8.250 nan 0.000 0.438 375 K N 0.368 120.725 120.400 -0.072 0.000 2.063 375 K HA -0.016 4.307 4.320 0.005 0.000 0.208 375 K C 1.815 178.362 176.600 -0.087 0.000 1.048 375 K CA 1.649 57.896 56.287 -0.066 0.000 0.928 375 K CB -0.754 31.700 32.500 -0.077 0.000 0.713 375 K HN 0.201 nan 8.250 nan 0.000 0.442 376 A N 0.582 123.317 122.820 -0.142 0.000 1.908 376 A HA -0.255 4.068 4.320 0.005 0.000 0.218 376 A C 2.187 179.721 177.584 -0.083 0.000 1.181 376 A CA 1.909 53.858 52.037 -0.146 0.000 0.627 376 A CB -0.718 18.148 19.000 -0.223 0.000 0.818 376 A HN 0.609 nan 8.150 nan 0.000 0.445 377 Q N -0.110 119.675 119.800 -0.026 0.000 2.234 377 Q HA -0.215 4.128 4.340 0.005 0.000 0.206 377 Q C 1.667 177.671 176.000 0.006 0.000 0.980 377 Q CA 1.733 57.556 55.803 0.034 0.000 0.869 377 Q CB -0.099 28.725 28.738 0.143 0.000 0.912 377 Q HN 0.916 nan 8.270 nan 0.000 0.436 378 E N -1.148 119.046 120.200 -0.009 0.000 2.472 378 E HA 0.071 4.424 4.350 0.005 0.000 0.196 378 E C -0.208 176.370 176.600 -0.038 0.000 1.033 378 E CA 0.059 56.450 56.400 -0.015 0.000 0.886 378 E CB 0.318 30.015 29.700 -0.004 0.000 0.944 378 E HN -0.017 nan 8.360 nan 0.000 0.492 379 T N 2.650 117.169 114.554 -0.058 0.000 2.779 379 T HA 0.184 4.537 4.350 0.005 0.000 0.296 379 T C -0.129 174.517 174.700 -0.091 0.000 0.938 379 T CA -0.285 61.769 62.100 -0.075 0.000 1.119 379 T CB 0.797 69.609 68.868 -0.092 0.000 0.891 379 T HN -0.025 nan 8.240 nan 0.000 0.526 380 K N 1.331 121.681 120.400 -0.083 0.000 2.295 380 K HA 0.661 4.985 4.320 0.005 0.000 0.239 380 K C 1.246 177.784 176.600 -0.104 0.000 0.991 380 K CA -0.664 55.568 56.287 -0.091 0.000 0.845 380 K CB 1.537 33.997 32.500 -0.067 0.000 1.197 380 K HN 0.707 nan 8.250 nan 0.000 0.441 381 G N 0.754 109.486 108.800 -0.113 0.000 2.205 381 G HA2 -0.313 3.650 3.960 0.005 0.000 0.261 381 G HA3 -0.313 3.650 3.960 0.005 0.000 0.261 381 G C -0.060 174.740 174.900 -0.167 0.000 0.980 381 G CA 1.244 46.273 45.100 -0.119 0.000 0.632 381 G HN 0.691 nan 8.290 nan 0.000 0.533 382 K N -1.500 118.769 120.400 -0.218 0.000 2.658 382 K HA 0.770 5.093 4.320 0.005 0.000 0.293 382 K C -0.272 176.068 176.600 -0.435 0.000 1.026 382 K CA -0.427 55.662 56.287 -0.329 0.000 0.871 382 K CB 0.639 32.977 32.500 -0.269 0.000 1.524 382 K HN 1.265 nan 8.250 nan 0.000 0.400 383 A N 0.797 123.164 122.820 -0.755 0.000 2.271 383 A HA 0.622 4.945 4.320 0.005 0.000 0.288 383 A C -0.565 176.697 177.584 -0.536 0.000 1.094 383 A CA -0.296 51.211 52.037 -0.883 0.000 0.828 383 A CB 0.841 18.811 19.000 -1.718 0.000 1.091 383 A HN 0.595 nan 8.150 nan 0.000 0.493 384 T N 0.421 114.823 114.554 -0.253 0.000 2.863 384 T HA 0.567 4.921 4.350 0.005 0.000 0.285 384 T C -0.586 174.220 174.700 0.176 0.000 1.009 384 T CA -0.293 61.807 62.100 0.000 0.000 0.989 384 T CB 1.291 70.088 68.868 -0.119 0.000 1.004 384 T HN 1.155 nan 8.240 nan 0.000 0.455 385 V N 1.293 121.277 119.914 0.116 0.000 2.487 385 V HA 0.688 4.812 4.120 0.005 0.000 0.298 385 V C -0.567 175.374 176.094 -0.254 0.000 1.028 385 V CA -0.980 61.247 62.300 -0.122 0.000 0.860 385 V CB 1.206 32.682 31.823 -0.579 0.000 0.991 385 V HN 0.841 nan 8.190 nan 0.000 0.427 386 I N 5.436 125.816 120.570 -0.317 0.000 2.339 386 I HA 0.407 4.580 4.170 0.005 0.000 0.290 386 I C -0.437 175.468 176.117 -0.353 0.000 0.994 386 I CA -0.412 60.660 61.300 -0.380 0.000 1.191 386 I CB 1.619 39.286 38.000 -0.555 0.000 1.343 386 I HN 0.496 nan 8.210 nan 0.000 0.458 387 L N 7.073 128.101 121.223 -0.325 0.000 2.272 387 L HA 0.545 4.888 4.340 0.005 0.000 0.284 387 L C 0.300 176.996 176.870 -0.289 0.000 1.045 387 L CA -0.445 54.213 54.840 -0.303 0.000 0.842 387 L CB 0.920 42.800 42.059 -0.298 0.000 1.224 387 L HN 0.620 nan 8.230 nan 0.000 0.430 388 A N 2.833 125.503 122.820 -0.251 0.000 2.260 388 A HA 0.251 4.575 4.320 0.005 0.000 0.312 388 A C -0.376 177.098 177.584 -0.183 0.000 1.321 388 A CA -0.399 51.505 52.037 -0.222 0.000 0.928 388 A CB -0.023 18.862 19.000 -0.192 0.000 1.158 388 A HN 0.780 nan 8.150 nan 0.000 0.542 389 H N 2.955 121.807 119.070 -0.363 0.000 2.878 389 H HA 0.365 4.924 4.556 0.005 0.000 0.290 389 H C 0.373 175.519 175.328 -0.305 0.000 1.065 389 H CA 0.803 56.623 56.048 -0.381 0.000 1.477 389 H CB 0.549 29.949 29.762 -0.603 0.000 1.484 389 H HN 0.799 nan 8.280 nan 0.000 0.504 390 T N 2.347 116.765 114.554 -0.227 0.000 2.804 390 T HA 0.464 4.817 4.350 0.005 0.000 0.290 390 T C -0.272 174.421 174.700 -0.012 0.000 1.099 390 T CA -1.009 60.952 62.100 -0.232 0.000 1.011 390 T CB 1.576 70.270 68.868 -0.290 0.000 1.291 390 T HN 0.424 nan 8.240 nan 0.000 0.523 391 I N 1.263 122.025 120.570 0.319 0.000 2.355 391 I HA 0.376 4.549 4.170 0.005 0.000 0.288 391 I C 0.222 176.494 176.117 0.259 0.000 0.999 391 I CA -0.944 60.499 61.300 0.239 0.000 1.163 391 I CB 1.670 39.821 38.000 0.251 0.000 1.316 391 I HN 0.656 nan 8.210 nan 0.000 0.454 392 K N 4.717 125.227 120.400 0.184 0.000 2.401 392 K HA 0.258 4.581 4.320 0.005 0.000 0.278 392 K C 0.997 177.723 176.600 0.210 0.000 1.018 392 K CA 0.816 57.216 56.287 0.188 0.000 0.981 392 K CB 0.549 33.142 32.500 0.155 0.000 0.933 392 K HN 0.895 nan 8.250 nan 0.000 0.477 393 G N 3.207 112.145 108.800 0.230 0.000 2.176 393 G HA2 -0.319 3.645 3.960 0.005 0.000 0.252 393 G HA3 -0.319 3.645 3.960 0.005 0.000 0.252 393 G C -0.323 174.725 174.900 0.247 0.000 1.024 393 G CA 0.290 45.521 45.100 0.218 0.000 0.755 393 G HN 0.742 nan 8.290 nan 0.000 0.507 394 Y N 0.599 120.987 120.300 0.147 0.000 2.881 394 Y HA 0.277 4.830 4.550 0.005 0.000 0.335 394 Y C 1.600 177.642 175.900 0.237 0.000 1.263 394 Y CA 1.299 59.468 58.100 0.116 0.000 1.572 394 Y CB 0.279 38.792 38.460 0.090 0.000 1.237 394 Y HN 1.484 nan 8.280 nan 0.000 0.568 395 G N 5.216 113.820 108.800 -0.326 0.000 2.166 395 G HA2 -0.354 3.609 3.960 0.005 0.000 0.260 395 G HA3 -0.354 3.609 3.960 0.005 0.000 0.260 395 G C 0.695 175.728 174.900 0.221 0.000 0.986 395 G CA 0.648 45.651 45.100 -0.162 0.000 0.683 395 G HN 0.702 nan 8.290 nan 0.000 0.527 396 M N 0.109 119.842 119.600 0.222 0.000 2.495 396 M HA 0.367 4.851 4.480 0.005 0.000 0.237 396 M C 1.757 178.154 176.300 0.162 0.000 1.131 396 M CA 1.096 56.551 55.300 0.257 0.000 1.032 396 M CB 0.218 32.931 32.600 0.187 0.000 1.513 396 M HN 1.210 nan 8.290 nan 0.000 0.488 397 G N 0.872 109.709 108.800 0.061 0.000 2.593 397 G HA2 -0.277 3.686 3.960 0.005 0.000 0.237 397 G HA3 -0.277 3.686 3.960 0.005 0.000 0.237 397 G C -0.011 174.815 174.900 -0.123 0.000 1.312 397 G CA -0.066 44.849 45.100 -0.308 0.000 0.896 397 G HN 0.314 nan 8.290 nan 0.000 0.574 398 D N 0.285 120.587 120.400 -0.163 0.000 2.149 398 D HA -0.099 4.544 4.640 0.005 0.000 0.194 398 D C 2.833 179.123 176.300 -0.017 0.000 1.001 398 D CA 2.591 56.555 54.000 -0.061 0.000 0.849 398 D CB -0.840 39.921 40.800 -0.065 0.000 0.939 398 D HN 1.027 nan 8.370 nan 0.000 0.449 399 A N 1.070 123.879 122.820 -0.019 0.000 1.940 399 A HA 0.027 4.350 4.320 0.005 0.000 0.221 399 A C 1.216 178.827 177.584 0.045 0.000 1.190 399 A CA 2.641 54.691 52.037 0.020 0.000 0.647 399 A CB -0.629 18.393 19.000 0.036 0.000 0.821 399 A HN 0.767 nan 8.150 nan 0.000 0.457 415 D N 0.395 120.826 120.400 0.052 0.000 2.819 415 D HA 0.265 4.908 4.640 0.005 0.000 0.326 415 D C 1.187 177.548 176.300 0.102 0.000 1.408 415 D CA 0.085 54.131 54.000 0.078 0.000 0.811 415 D CB 1.281 42.123 40.800 0.070 0.000 1.148 415 D HN 0.725 nan 8.370 nan 0.000 0.457 416 G N 0.632 109.485 108.800 0.089 0.000 2.603 416 G HA2 -0.074 3.890 3.960 0.005 0.000 0.214 416 G HA3 -0.074 3.890 3.960 0.005 0.000 0.214 416 G C 1.682 176.678 174.900 0.160 0.000 1.140 416 G CA 0.515 45.681 45.100 0.109 0.000 0.800 416 G HN 0.289 nan 8.290 nan 0.000 0.533 417 V N -1.071 118.919 119.914 0.126 0.000 2.591 417 V HA 0.158 4.281 4.120 0.005 0.000 0.249 417 V C 2.347 178.607 176.094 0.276 0.000 1.053 417 V CA 1.600 63.988 62.300 0.145 0.000 1.068 417 V CB -0.427 31.425 31.823 0.048 0.000 0.689 417 V HN 0.268 nan 8.190 nan 0.000 0.462 418 R N -0.454 120.175 120.500 0.216 0.000 2.081 418 R HA -0.205 4.138 4.340 0.005 0.000 0.235 418 R C 2.446 178.854 176.300 0.180 0.000 1.131 418 R CA 2.081 58.295 56.100 0.191 0.000 0.960 418 R CB -0.571 29.810 30.300 0.134 0.000 0.856 418 R HN 0.823 nan 8.270 nan 0.000 0.436 419 H N 0.246 119.383 119.070 0.113 0.000 2.319 419 H HA -0.099 4.460 4.556 0.006 0.000 0.299 419 H C 1.835 177.236 175.328 0.122 0.000 1.092 419 H CA 2.236 58.336 56.048 0.087 0.000 1.302 419 H CB -0.163 29.641 29.762 0.070 0.000 1.373 419 H HN 0.145 nan 8.280 nan 0.000 0.497 420 I N 0.280 120.965 120.570 0.191 0.000 2.286 420 I HA -0.240 3.934 4.170 0.005 0.000 0.248 420 I C 2.619 178.952 176.117 0.360 0.000 1.115 420 I CA 1.588 63.062 61.300 0.289 0.000 1.392 420 I CB -0.222 38.007 38.000 0.381 0.000 1.065 420 I HN 0.342 nan 8.210 nan 0.000 0.418 421 R N 0.657 121.385 120.500 0.380 0.000 2.115 421 R HA -0.125 4.218 4.340 0.005 0.000 0.230 421 R C 1.551 177.866 176.300 0.025 0.000 1.111 421 R CA 1.672 57.880 56.100 0.181 0.000 0.976 421 R CB -0.728 29.587 30.300 0.024 0.000 0.870 421 R HN 0.225 nan 8.270 nan 0.000 0.445 422 D N 0.333 120.721 120.400 -0.020 0.000 2.103 422 D HA -0.087 4.556 4.640 0.005 0.000 0.199 422 D C 1.793 177.984 176.300 -0.182 0.000 0.978 422 D CA 0.745 54.689 54.000 -0.094 0.000 0.829 422 D CB -0.265 40.474 40.800 -0.102 0.000 0.981 422 D HN 0.092 nan 8.370 nan 0.000 0.464 423 R N 0.216 120.519 120.500 -0.329 0.000 2.091 423 R HA -0.091 4.252 4.340 0.005 0.000 0.238 423 R C 1.139 177.046 176.300 -0.656 0.000 1.136 423 R CA 0.882 56.635 56.100 -0.577 0.000 0.959 423 R CB -0.482 29.324 30.300 -0.823 0.000 0.856 423 R HN 0.218 nan 8.270 nan 0.000 0.437 424 F N 0.452 120.376 119.950 -0.043 0.000 2.684 424 F HA 0.230 4.760 4.527 0.005 0.000 0.298 424 F C 0.086 175.885 175.800 -0.002 0.000 1.120 424 F CA -0.509 57.497 58.000 0.009 0.000 1.332 424 F CB -0.413 38.634 39.000 0.078 0.000 0.986 424 F HN 0.030 nan 8.300 nan 0.000 0.524 425 N N -0.280 118.443 118.700 0.039 0.000 2.707 425 N HA -0.182 4.561 4.740 0.005 0.000 0.253 425 N C -0.676 174.831 175.510 -0.005 0.000 0.998 425 N CA 0.175 53.227 53.050 0.003 0.000 0.751 425 N CB -1.455 37.038 38.487 0.010 0.000 0.920 425 N HN 0.017 nan 8.380 nan 0.000 0.539 426 V N 1.082 120.965 119.914 -0.051 0.000 2.572 426 V HA 0.142 4.265 4.120 0.005 0.000 0.291 426 V C -1.116 174.807 176.094 -0.285 0.000 1.039 426 V CA -0.897 61.278 62.300 -0.209 0.000 1.055 426 V CB 0.822 32.348 31.823 -0.494 0.000 0.969 426 V HN 0.203 nan 8.190 nan 0.000 0.482 427 P HA 0.141 nan 4.420 nan 0.000 0.231 427 P C -0.649 176.493 177.300 -0.262 0.000 1.756 427 P CA 0.370 63.356 63.100 -0.190 0.000 0.990 427 P CB 0.460 32.099 31.700 -0.101 0.000 1.973 428 V N 1.054 120.774 119.914 -0.323 0.000 2.525 428 V HA 0.322 4.446 4.120 0.005 0.000 0.299 428 V C 0.098 176.098 176.094 -0.156 0.000 1.034 428 V CA -0.728 61.403 62.300 -0.282 0.000 0.863 428 V CB 1.973 33.508 31.823 -0.480 0.000 0.999 428 V HN 0.347 nan 8.190 nan 0.000 0.423 429 S N 3.993 119.642 115.700 -0.084 0.000 2.558 429 S HA -0.007 4.466 4.470 0.005 0.000 0.288 429 S C 1.092 175.681 174.600 -0.018 0.000 1.318 429 S CA 0.565 58.739 58.200 -0.043 0.000 1.056 429 S CB 0.733 63.918 63.200 -0.025 0.000 0.853 429 S HN 0.955 nan 8.310 nan 0.000 0.505 430 D N 3.006 123.401 120.400 -0.009 0.000 2.351 430 D HA -0.024 4.620 4.640 0.005 0.000 0.216 430 D C 1.660 177.971 176.300 0.018 0.000 0.968 430 D CA 1.128 55.135 54.000 0.012 0.000 0.899 430 D CB -0.175 40.631 40.800 0.010 0.000 0.907 430 D HN 0.623 nan 8.370 nan 0.000 0.514 431 A N 0.568 123.394 122.820 0.010 0.000 1.861 431 A HA -0.087 4.236 4.320 0.005 0.000 0.212 431 A C 1.780 179.375 177.584 0.018 0.000 1.199 431 A CA 1.224 53.268 52.037 0.012 0.000 0.613 431 A CB -0.191 18.812 19.000 0.005 0.000 0.846 431 A HN 0.080 nan 8.150 nan 0.000 0.446 432 D N -0.189 120.222 120.400 0.018 0.000 2.277 432 D HA -0.012 4.631 4.640 0.005 0.000 0.208 432 D C 1.537 177.870 176.300 0.055 0.000 0.962 432 D CA 0.290 54.306 54.000 0.027 0.000 0.865 432 D CB -0.325 40.487 40.800 0.020 0.000 0.939 432 D HN 0.438 nan 8.370 nan 0.000 0.510 433 I N 0.816 121.431 120.570 0.075 0.000 2.381 433 I HA -0.339 3.834 4.170 0.005 0.000 0.255 433 I C 1.334 177.516 176.117 0.109 0.000 1.140 433 I CA 1.423 62.808 61.300 0.143 0.000 1.404 433 I CB 0.212 38.299 38.000 0.145 0.000 1.075 433 I HN -0.114 nan 8.210 nan 0.000 0.433 434 E N 0.692 120.928 120.200 0.060 0.000 2.274 434 E HA -0.149 4.204 4.350 0.005 0.000 0.194 434 E C 1.672 178.279 176.600 0.011 0.000 0.996 434 E CA 0.813 57.232 56.400 0.032 0.000 0.840 434 E CB -0.076 29.637 29.700 0.022 0.000 0.772 434 E HN 0.453 nan 8.360 nan 0.000 0.491 435 K N 0.427 120.835 120.400 0.014 0.000 2.487 435 K HA 0.131 4.455 4.320 0.005 0.000 0.192 435 K C 0.016 176.585 176.600 -0.052 0.000 1.027 435 K CA -0.017 56.261 56.287 -0.015 0.000 1.054 435 K CB 0.127 32.624 32.500 -0.005 0.000 0.824 435 K HN 0.093 nan 8.250 nan 0.000 0.510 436 L N 1.714 122.918 121.223 -0.031 0.000 3.879 436 L HA -0.171 4.172 4.340 0.005 0.000 0.481 436 L C -2.137 174.617 176.870 -0.192 0.000 1.232 436 L CA -0.479 54.292 54.840 -0.115 0.000 0.736 436 L CB -1.415 40.520 42.059 -0.207 0.000 1.511 436 L HN 0.117 nan 8.230 nan 0.000 0.830 437 P HA 0.141 nan 4.420 nan 0.000 0.278 437 P C -0.530 176.817 177.300 0.078 0.000 1.238 437 P CA -0.145 62.947 63.100 -0.014 0.000 0.794 437 P CB 0.723 32.473 31.700 0.084 0.000 0.955 438 Y N 1.179 121.565 120.300 0.144 0.000 2.307 438 Y HA 0.348 4.901 4.550 0.005 0.000 0.324 438 Y C 1.104 177.133 175.900 0.215 0.000 1.238 438 Y CA -0.255 57.941 58.100 0.160 0.000 1.280 438 Y CB 0.576 39.026 38.460 -0.015 0.000 1.248 438 Y HN 0.180 nan 8.280 nan 0.000 0.508 439 I N 2.072 122.886 120.570 0.406 0.000 2.441 439 I HA 0.407 4.580 4.170 0.005 0.000 0.295 439 I C -0.220 175.910 176.117 0.023 0.000 0.994 439 I CA -0.474 60.885 61.300 0.099 0.000 1.144 439 I CB 1.751 39.698 38.000 -0.087 0.000 1.314 439 I HN 0.704 nan 8.210 nan 0.000 0.445 440 T N 1.807 116.264 114.554 -0.161 0.000 2.901 440 T HA 0.627 4.980 4.350 0.005 0.000 0.293 440 T C -0.861 173.606 174.700 -0.389 0.000 1.084 440 T CA -0.677 61.276 62.100 -0.245 0.000 1.008 440 T CB 1.680 70.462 68.868 -0.142 0.000 1.170 440 T HN 0.115 nan 8.240 nan 0.000 0.509 441 F N 2.428 122.408 119.950 0.050 0.000 2.426 441 F HA 0.530 5.060 4.527 0.005 0.000 0.348 441 F C -1.929 173.909 175.800 0.063 0.000 1.124 441 F CA -2.299 55.750 58.000 0.081 0.000 1.008 441 F CB 1.606 40.683 39.000 0.129 0.000 1.139 441 F HN 0.415 nan 8.300 nan 0.000 0.452 442 P HA 0.037 nan 4.420 nan 0.000 0.274 442 P C -0.434 176.762 177.300 -0.174 0.000 1.231 442 P CA -0.409 62.685 63.100 -0.011 0.000 0.790 442 P CB 0.935 32.633 31.700 -0.004 0.000 0.951 443 E N 0.515 120.465 120.200 -0.418 0.000 2.502 443 E HA 0.142 4.495 4.350 0.005 0.000 0.261 443 E C 1.139 177.585 176.600 -0.256 0.000 0.974 443 E CA 0.979 56.977 56.400 -0.670 0.000 0.936 443 E CB -0.547 28.902 29.700 -0.419 0.000 0.926 443 E HN 0.785 nan 8.360 nan 0.000 0.459 444 G N 3.016 111.735 108.800 -0.134 0.000 2.253 444 G HA2 -0.343 3.620 3.960 0.005 0.000 0.251 444 G HA3 -0.343 3.620 3.960 0.005 0.000 0.251 444 G C 0.247 175.173 174.900 0.043 0.000 0.998 444 G CA 0.397 45.493 45.100 -0.007 0.000 0.621 444 G HN 0.935 nan 8.290 nan 0.000 0.524 445 S N 0.152 115.891 115.700 0.064 0.000 2.593 445 S HA 0.537 5.010 4.470 0.005 0.000 0.269 445 S C 1.080 175.737 174.600 0.095 0.000 1.334 445 S CA 0.581 58.836 58.200 0.091 0.000 1.015 445 S CB 1.760 65.045 63.200 0.142 0.000 0.912 445 S HN 0.418 nan 8.310 nan 0.000 0.541 446 E N 1.305 121.534 120.200 0.048 0.000 2.049 446 E HA -0.234 4.119 4.350 0.005 0.000 0.198 446 E C 1.912 178.507 176.600 -0.008 0.000 1.007 446 E CA 2.045 58.459 56.400 0.024 0.000 0.809 446 E CB -0.243 29.446 29.700 -0.017 0.000 0.749 446 E HN 0.814 nan 8.360 nan 0.000 0.450 447 E N -0.113 119.998 120.200 -0.148 0.000 2.038 447 E HA -0.231 4.123 4.350 0.005 0.000 0.195 447 E C 2.031 178.510 176.600 -0.202 0.000 1.000 447 E CA 1.399 57.551 56.400 -0.413 0.000 0.803 447 E CB -0.331 28.624 29.700 -1.242 0.000 0.750 447 E HN 0.324 nan 8.360 nan 0.000 0.448 448 H N 0.339 119.355 119.070 -0.089 0.000 2.319 448 H HA -0.113 4.446 4.556 0.005 0.000 0.299 448 H C 1.812 177.245 175.328 0.176 0.000 1.092 448 H CA 2.076 58.192 56.048 0.113 0.000 1.302 448 H CB -0.114 29.755 29.762 0.179 0.000 1.373 448 H HN 0.146 nan 8.280 nan 0.000 0.497 449 T N 0.423 115.131 114.554 0.258 0.000 2.652 449 T HA -0.224 4.130 4.350 0.005 0.000 0.267 449 T C 1.803 176.570 174.700 0.111 0.000 1.039 449 T CA 1.764 63.979 62.100 0.191 0.000 1.153 449 T CB -0.818 68.145 68.868 0.159 0.000 0.863 449 T HN 0.429 nan 8.240 nan 0.000 0.428 450 Y N 1.370 121.652 120.300 -0.029 0.000 2.145 450 Y HA -0.114 4.439 4.550 0.005 0.000 0.286 450 Y C 2.228 178.070 175.900 -0.096 0.000 1.145 450 Y CA 1.095 59.159 58.100 -0.060 0.000 1.148 450 Y CB -0.554 37.859 38.460 -0.077 0.000 0.981 450 Y HN 0.101 nan 8.280 nan 0.000 0.507 451 L N -0.143 121.106 121.223 0.044 0.000 1.978 451 L HA -0.335 4.008 4.340 0.005 0.000 0.218 451 L C 2.424 179.155 176.870 -0.233 0.000 1.075 451 L CA 2.341 57.106 54.840 -0.126 0.000 0.767 451 L CB -1.065 40.833 42.059 -0.268 0.000 0.890 451 L HN 0.332 nan 8.230 nan 0.000 0.434 452 H N -0.729 118.279 119.070 -0.103 0.000 2.395 452 H HA 0.037 4.596 4.556 0.005 0.000 0.299 452 H C 2.144 177.413 175.328 -0.099 0.000 1.070 452 H CA 1.178 57.200 56.048 -0.043 0.000 1.356 452 H CB -0.294 29.424 29.762 -0.073 0.000 1.401 452 H HN 0.567 nan 8.280 nan 0.000 0.524 453 A N 1.441 124.236 122.820 -0.041 0.000 1.883 453 A HA -0.196 4.127 4.320 0.005 0.000 0.217 453 A C 2.381 179.832 177.584 -0.222 0.000 1.186 453 A CA 1.379 53.339 52.037 -0.128 0.000 0.624 453 A CB -0.262 18.638 19.000 -0.167 0.000 0.822 453 A HN 0.275 nan 8.150 nan 0.000 0.444 454 Q N -0.536 119.061 119.800 -0.338 0.000 2.084 454 Q HA -0.141 4.203 4.340 0.005 0.000 0.202 454 Q C 2.236 178.102 176.000 -0.224 0.000 0.978 454 Q CA 1.272 56.862 55.803 -0.354 0.000 0.844 454 Q CB -0.456 28.017 28.738 -0.442 0.000 0.898 454 Q HN 0.497 nan 8.270 nan 0.000 0.426 455 R N 0.620 121.011 120.500 -0.182 0.000 2.075 455 R HA -0.046 4.297 4.340 0.005 0.000 0.232 455 R C 2.123 178.267 176.300 -0.260 0.000 1.126 455 R CA 0.913 56.890 56.100 -0.205 0.000 0.963 455 R CB -0.523 29.602 30.300 -0.293 0.000 0.858 455 R HN 0.356 nan 8.270 nan 0.000 0.435 456 Q N 0.946 120.614 119.800 -0.220 0.000 2.135 456 Q HA -0.116 4.227 4.340 0.005 0.000 0.204 456 Q C 1.889 177.767 176.000 -0.203 0.000 0.981 456 Q CA 1.331 57.019 55.803 -0.192 0.000 0.856 456 Q CB -0.200 28.473 28.738 -0.108 0.000 0.902 456 Q HN 0.322 nan 8.270 nan 0.000 0.425 457 K N 0.173 120.460 120.400 -0.189 0.000 2.280 457 K HA -0.050 4.273 4.320 0.005 0.000 0.202 457 K C 1.345 177.825 176.600 -0.200 0.000 1.047 457 K CA 0.635 56.807 56.287 -0.191 0.000 0.942 457 K CB 0.070 32.468 32.500 -0.170 0.000 0.739 457 K HN 0.121 nan 8.250 nan 0.000 0.457 458 L N -0.076 121.056 121.223 -0.151 0.000 2.928 458 L HA 0.185 4.528 4.340 0.005 0.000 0.246 458 L C -0.610 176.299 176.870 0.064 0.000 1.239 458 L CA -0.132 54.691 54.840 -0.028 0.000 1.035 458 L CB -0.321 41.751 42.059 0.023 0.000 1.360 458 L HN 0.339 nan 8.230 nan 0.000 0.529 459 H N -1.207 117.820 119.070 -0.071 0.000 3.109 459 H HA -0.130 4.429 4.556 0.005 0.000 0.245 459 H C 0.914 176.169 175.328 -0.123 0.000 1.187 459 H CA 0.772 56.779 56.048 -0.069 0.000 1.136 459 H CB -1.212 28.537 29.762 -0.022 0.000 1.243 459 H HN 0.636 nan 8.280 nan 0.000 0.328 460 G N -1.880 106.807 108.800 -0.189 0.000 2.337 460 G HA2 -0.046 3.917 3.960 0.005 0.000 0.197 460 G HA3 -0.046 3.917 3.960 0.005 0.000 0.197 460 G C -1.229 173.284 174.900 -0.645 0.000 1.238 460 G CA -0.505 44.318 45.100 -0.461 0.000 1.119 460 G HN 0.232 nan 8.290 nan 0.000 0.514 461 Y N 0.474 120.825 120.300 0.085 0.000 2.420 461 Y HA 0.782 5.335 4.550 0.005 0.000 0.334 461 Y C 0.853 176.785 175.900 0.054 0.000 1.094 461 Y CA -0.372 57.772 58.100 0.074 0.000 1.126 461 Y CB 1.811 40.291 38.460 0.032 0.000 1.217 461 Y HN 0.841 nan 8.280 nan 0.000 0.462 462 L N 1.275 122.629 121.223 0.218 0.000 2.465 462 L HA 0.814 5.157 4.340 0.005 0.000 0.257 462 L C -3.110 173.792 176.870 0.053 0.000 0.988 462 L CA -2.370 52.529 54.840 0.098 0.000 0.827 462 L CB 2.592 44.730 42.059 0.132 0.000 1.397 462 L HN 0.281 nan 8.230 nan 0.000 0.410 463 P HA 0.261 nan 4.420 nan 0.000 0.274 463 P C -0.902 176.058 177.300 -0.566 0.000 1.231 463 P CA -0.083 62.791 63.100 -0.378 0.000 0.790 463 P CB 1.782 33.172 31.700 -0.517 0.000 0.951 464 S N 0.669 116.184 115.700 -0.308 0.000 2.556 464 S HA 0.594 5.067 4.470 0.005 0.000 0.271 464 S C -1.206 173.304 174.600 -0.150 0.000 1.135 464 S CA -0.772 57.303 58.200 -0.209 0.000 0.858 464 S CB 1.549 64.709 63.200 -0.067 0.000 1.114 464 S HN 0.586 nan 8.310 nan 0.000 0.468 465 R N 2.045 122.488 120.500 -0.094 0.000 2.621 465 R HA 0.401 4.744 4.340 0.005 0.000 0.284 465 R C -1.521 174.761 176.300 -0.029 0.000 0.998 465 R CA -0.531 55.522 56.100 -0.080 0.000 0.895 465 R CB 1.721 31.973 30.300 -0.080 0.000 1.195 465 R HN 0.710 nan 8.270 nan 0.000 0.450 466 Q N 5.369 125.153 119.800 -0.028 0.000 2.340 466 Q HA 0.319 4.662 4.340 0.005 0.000 0.259 466 Q C -2.000 174.018 176.000 0.029 0.000 0.964 466 Q CA -2.085 53.725 55.803 0.012 0.000 0.900 466 Q CB 1.705 30.457 28.738 0.024 0.000 1.228 466 Q HN 0.385 nan 8.270 nan 0.000 0.449 467 P HA -0.003 nan 4.420 nan 0.000 0.225 467 P C -0.704 176.716 177.300 0.200 0.000 1.156 467 P CA 0.788 63.950 63.100 0.104 0.000 0.787 467 P CB 0.466 32.206 31.700 0.067 0.000 0.802 468 N N -0.602 118.183 118.700 0.142 0.000 2.262 468 N HA 0.284 5.027 4.740 0.005 0.000 0.295 468 N C -0.578 175.033 175.510 0.168 0.000 1.161 468 N CA -0.671 52.444 53.050 0.108 0.000 0.767 468 N CB 1.524 39.951 38.487 -0.099 0.000 1.499 468 N HN -0.089 nan 8.380 nan 0.000 0.476 469 F N -1.069 119.005 119.950 0.206 0.000 2.380 469 F HA 0.427 4.958 4.527 0.005 0.000 0.325 469 F C 1.825 177.688 175.800 0.106 0.000 1.136 469 F CA -0.660 57.448 58.000 0.179 0.000 1.171 469 F CB 0.168 39.311 39.000 0.238 0.000 1.230 469 F HN 0.490 nan 8.300 nan 0.000 0.554 470 T N -2.169 112.549 114.554 0.273 0.000 2.976 470 T HA 0.043 4.396 4.350 0.005 0.000 0.257 470 T C 0.511 175.325 174.700 0.189 0.000 1.051 470 T CA 0.385 62.570 62.100 0.142 0.000 1.141 470 T CB -0.659 68.279 68.868 0.117 0.000 0.881 470 T HN 0.816 nan 8.240 nan 0.000 0.461 471 E N 1.623 122.018 120.200 0.325 0.000 2.409 471 E HA 0.169 4.522 4.350 0.005 0.000 0.257 471 E C -0.314 176.474 176.600 0.314 0.000 1.150 471 E CA -0.766 55.792 56.400 0.264 0.000 0.942 471 E CB 0.615 30.446 29.700 0.219 0.000 0.979 471 E HN 0.405 nan 8.360 nan 0.000 0.447 472 K N 2.803 123.326 120.400 0.205 0.000 2.235 472 K HA 0.291 4.614 4.320 0.005 0.000 0.266 472 K C -0.972 175.742 176.600 0.190 0.000 0.980 472 K CA -0.589 55.816 56.287 0.197 0.000 0.849 472 K CB 0.789 33.358 32.500 0.115 0.000 1.098 472 K HN 0.530 nan 8.250 nan 0.000 0.445 473 L N 3.369 124.733 121.223 0.234 0.000 2.334 473 L HA 0.272 4.615 4.340 0.005 0.000 0.277 473 L C 0.177 177.129 176.870 0.137 0.000 1.075 473 L CA -0.700 54.242 54.840 0.169 0.000 0.804 473 L CB 1.408 43.579 42.059 0.187 0.000 1.174 473 L HN 0.611 nan 8.230 nan 0.000 0.438 474 E N 3.681 123.942 120.200 0.102 0.000 2.136 474 E HA 0.246 4.599 4.350 0.005 0.000 0.246 474 E C -0.599 176.059 176.600 0.097 0.000 1.017 474 E CA -0.685 55.768 56.400 0.089 0.000 0.883 474 E CB 0.617 30.355 29.700 0.064 0.000 1.199 474 E HN 0.238 nan 8.360 nan 0.000 0.447 475 L N 3.815 125.114 121.223 0.127 0.000 2.461 475 L HA 0.156 4.499 4.340 0.005 0.000 0.272 475 L C -1.669 175.303 176.870 0.170 0.000 1.197 475 L CA -1.653 53.280 54.840 0.155 0.000 0.836 475 L CB -0.556 41.610 42.059 0.177 0.000 1.105 475 L HN 0.183 nan 8.230 nan 0.000 0.477 476 P HA 0.101 nan 4.420 nan 0.000 0.269 476 P C -0.603 176.885 177.300 0.314 0.000 1.209 476 P CA -0.371 62.836 63.100 0.179 0.000 0.776 476 P CB 0.588 32.371 31.700 0.138 0.000 0.876 477 S N 1.837 117.643 115.700 0.176 0.000 2.645 477 S HA 0.120 4.593 4.470 0.005 0.000 0.266 477 S C 1.195 175.795 174.600 -0.001 0.000 1.258 477 S CA -0.692 57.583 58.200 0.125 0.000 0.990 477 S CB 0.384 63.612 63.200 0.046 0.000 0.967 477 S HN 0.363 nan 8.310 nan 0.000 0.556 478 L N 0.862 121.855 121.223 -0.383 0.000 2.131 478 L HA -0.015 4.328 4.340 0.005 0.000 0.210 478 L C 2.424 179.293 176.870 -0.001 0.000 1.092 478 L CA 1.827 56.431 54.840 -0.393 0.000 0.759 478 L CB -1.347 40.425 42.059 -0.479 0.000 0.903 478 L HN 0.803 nan 8.230 nan 0.000 0.435 479 Q N -0.228 119.553 119.800 -0.033 0.000 2.234 479 Q HA -0.199 4.144 4.340 0.005 0.000 0.206 479 Q C 1.779 177.765 176.000 -0.023 0.000 0.980 479 Q CA 1.701 57.496 55.803 -0.014 0.000 0.869 479 Q CB -0.382 28.341 28.738 -0.024 0.000 0.912 479 Q HN 0.524 nan 8.270 nan 0.000 0.436 480 D N -0.700 119.665 120.400 -0.057 0.000 2.309 480 D HA -0.113 4.530 4.640 0.005 0.000 0.212 480 D C 0.327 176.412 176.300 -0.358 0.000 0.968 480 D CA 0.842 54.714 54.000 -0.213 0.000 0.882 480 D CB 0.031 40.653 40.800 -0.296 0.000 0.918 480 D HN 0.301 nan 8.370 nan 0.000 0.503 481 F N -0.042 119.872 119.950 -0.060 0.000 2.641 481 F HA 0.265 4.795 4.527 0.005 0.000 0.302 481 F C 2.261 178.036 175.800 -0.042 0.000 1.098 481 F CA -0.425 57.546 58.000 -0.048 0.000 1.318 481 F CB 0.023 39.000 39.000 -0.039 0.000 1.035 481 F HN -0.124 nan 8.300 nan 0.000 0.551 482 G N 0.863 109.699 108.800 0.061 0.000 2.547 482 G HA2 -0.387 3.576 3.960 0.005 0.000 0.221 482 G HA3 -0.387 3.576 3.960 0.005 0.000 0.221 482 G C 1.983 176.900 174.900 0.028 0.000 1.140 482 G CA 1.169 46.287 45.100 0.030 0.000 0.760 482 G HN 0.438 nan 8.290 nan 0.000 0.583 483 A N 0.345 123.173 122.820 0.014 0.000 1.917 483 A HA 0.004 4.327 4.320 0.005 0.000 0.219 483 A C 2.283 179.889 177.584 0.037 0.000 1.182 483 A CA 1.537 53.581 52.037 0.011 0.000 0.633 483 A CB -0.325 18.670 19.000 -0.009 0.000 0.819 483 A HN 0.322 nan 8.150 nan 0.000 0.448 484 L N -0.557 120.711 121.223 0.075 0.000 2.376 484 L HA 0.017 4.360 4.340 0.005 0.000 0.219 484 L C 2.019 178.963 176.870 0.122 0.000 1.133 484 L CA 1.102 56.002 54.840 0.100 0.000 0.816 484 L CB -1.027 41.117 42.059 0.141 0.000 0.933 484 L HN 0.439 nan 8.230 nan 0.000 0.449 485 L N -1.027 120.252 121.223 0.094 0.000 2.509 485 L HA 0.041 4.384 4.340 0.005 0.000 0.222 485 L C 0.876 177.751 176.870 0.008 0.000 1.123 485 L CA 0.027 54.908 54.840 0.068 0.000 0.856 485 L CB 0.003 42.072 42.059 0.016 0.000 0.985 485 L HN 0.246 nan 8.230 nan 0.000 0.456 486 E N 0.743 120.951 120.200 0.015 0.000 2.312 486 E HA 0.134 4.487 4.350 0.005 0.000 0.259 486 E C -0.221 176.379 176.600 0.000 0.000 1.122 486 E CA -0.615 55.780 56.400 -0.008 0.000 0.922 486 E CB 0.924 30.621 29.700 -0.005 0.000 1.109 486 E HN 0.063 nan 8.360 nan 0.000 0.442 487 E N 1.223 121.415 120.200 -0.014 0.000 2.413 487 E HA -0.091 4.262 4.350 0.005 0.000 0.263 487 E C -0.500 176.085 176.600 -0.024 0.000 1.015 487 E CA -0.215 56.167 56.400 -0.030 0.000 0.916 487 E CB 0.560 30.270 29.700 0.017 0.000 0.947 487 E HN 0.214 nan 8.360 nan 0.000 0.440 488 Q N 2.155 121.916 119.800 -0.066 0.000 2.260 488 Q HA 0.125 4.468 4.340 0.005 0.000 0.242 488 Q C 0.687 176.691 176.000 0.007 0.000 0.932 488 Q CA -0.177 55.609 55.803 -0.028 0.000 0.891 488 Q CB 1.791 30.506 28.738 -0.039 0.000 1.222 488 Q HN 0.580 nan 8.270 nan 0.000 0.453 489 S N 1.195 116.907 115.700 0.020 0.000 2.344 489 S HA -0.088 4.385 4.470 0.005 0.000 0.217 489 S C 0.786 175.419 174.600 0.056 0.000 1.033 489 S CA 1.201 59.425 58.200 0.039 0.000 1.017 489 S CB 0.096 63.311 63.200 0.025 0.000 0.941 489 S HN 0.376 nan 8.310 nan 0.000 0.430 490 K N 1.433 121.856 120.400 0.039 0.000 2.106 490 K HA 0.216 4.540 4.320 0.005 0.000 0.246 490 K C -0.675 175.954 176.600 0.049 0.000 0.987 490 K CA -0.350 55.965 56.287 0.047 0.000 0.904 490 K CB 0.709 33.227 32.500 0.029 0.000 1.071 490 K HN 0.174 nan 8.250 nan 0.000 0.453 491 E N 2.766 123.007 120.200 0.067 0.000 2.344 491 E HA 0.149 4.502 4.350 0.005 0.000 0.270 491 E C -0.065 176.539 176.600 0.006 0.000 1.021 491 E CA -0.007 56.432 56.400 0.066 0.000 0.887 491 E CB 0.532 30.295 29.700 0.106 0.000 0.997 491 E HN 0.395 nan 8.360 nan 0.000 0.429 492 I N -1.459 119.082 120.570 -0.048 0.000 3.466 492 I HA 0.567 4.740 4.170 0.005 0.000 0.311 492 I C -0.282 175.718 176.117 -0.194 0.000 1.155 492 I CA -1.049 60.203 61.300 -0.079 0.000 0.959 492 I CB 2.018 39.989 38.000 -0.048 0.000 1.332 492 I HN 0.416 nan 8.210 nan 0.000 0.483 493 S N -0.859 114.747 115.700 -0.157 0.000 2.739 493 S HA 0.415 4.888 4.470 0.005 0.000 0.306 493 S C 0.769 175.294 174.600 -0.124 0.000 1.115 493 S CA 0.155 58.221 58.200 -0.223 0.000 0.985 493 S CB 1.322 64.454 63.200 -0.114 0.000 1.133 493 S HN 0.874 nan 8.310 nan 0.000 0.541 494 T N -2.077 112.416 114.554 -0.101 0.000 3.035 494 T HA -0.022 4.332 4.350 0.005 0.000 0.268 494 T C 1.498 176.231 174.700 0.056 0.000 1.109 494 T CA 1.452 63.546 62.100 -0.009 0.000 1.119 494 T CB -1.041 67.834 68.868 0.012 0.000 0.900 494 T HN 0.613 nan 8.240 nan 0.000 0.503 495 T N 1.948 116.539 114.554 0.062 0.000 2.896 495 T HA 0.230 4.583 4.350 0.005 0.000 0.263 495 T C 1.853 176.660 174.700 0.178 0.000 1.050 495 T CA 0.682 62.871 62.100 0.148 0.000 1.140 495 T CB -0.315 68.655 68.868 0.170 0.000 0.877 495 T HN 0.371 nan 8.240 nan 0.000 0.457 496 I N 1.418 122.040 120.570 0.086 0.000 2.286 496 I HA -0.166 4.007 4.170 0.005 0.000 0.248 496 I C 2.882 179.016 176.117 0.028 0.000 1.115 496 I CA 0.945 62.273 61.300 0.047 0.000 1.392 496 I CB -0.414 37.592 38.000 0.010 0.000 1.065 496 I HN 0.190 nan 8.210 nan 0.000 0.418 497 A N 0.954 123.797 122.820 0.039 0.000 1.908 497 A HA -0.283 4.040 4.320 0.005 0.000 0.218 497 A C 2.231 179.841 177.584 0.043 0.000 1.181 497 A CA 1.674 53.733 52.037 0.036 0.000 0.627 497 A CB -1.025 18.001 19.000 0.043 0.000 0.818 497 A HN 0.496 nan 8.150 nan 0.000 0.445 498 F N 1.028 120.957 119.950 -0.036 0.000 2.095 498 F HA -0.180 4.351 4.527 0.005 0.000 0.298 498 F C 2.089 177.839 175.800 -0.082 0.000 1.104 498 F CA 2.154 60.117 58.000 -0.060 0.000 1.232 498 F CB -0.600 38.363 39.000 -0.061 0.000 0.987 498 F HN 0.012 nan 8.300 nan 0.000 0.475 499 V N 1.147 120.796 119.914 -0.442 0.000 2.490 499 V HA -0.258 3.866 4.120 0.005 0.000 0.250 499 V C 2.549 178.429 176.094 -0.357 0.000 1.061 499 V CA 2.158 64.145 62.300 -0.523 0.000 1.064 499 V CB -0.756 30.957 31.823 -0.185 0.000 0.670 499 V HN 0.320 nan 8.190 nan 0.000 0.461 500 R N 0.043 120.422 120.500 -0.202 0.000 2.092 500 R HA -0.064 4.280 4.340 0.005 0.000 0.231 500 R C 2.464 178.692 176.300 -0.121 0.000 1.119 500 R CA 1.354 57.378 56.100 -0.127 0.000 0.970 500 R CB -0.532 29.736 30.300 -0.054 0.000 0.864 500 R HN 0.528 nan 8.270 nan 0.000 0.440 501 A N 1.321 124.075 122.820 -0.109 0.000 1.902 501 A HA -0.144 4.179 4.320 0.005 0.000 0.217 501 A C 2.131 179.658 177.584 -0.096 0.000 1.181 501 A CA 1.000 53.067 52.037 0.050 0.000 0.623 501 A CB -0.557 18.448 19.000 0.008 0.000 0.818 501 A HN 0.253 nan 8.150 nan 0.000 0.443 502 L N -0.551 120.403 121.223 -0.448 0.000 2.046 502 L HA -0.218 4.126 4.340 0.005 0.000 0.208 502 L C 2.322 178.999 176.870 -0.322 0.000 1.077 502 L CA 1.871 56.379 54.840 -0.553 0.000 0.747 502 L CB -0.432 41.150 42.059 -0.794 0.000 0.896 502 L HN 0.425 nan 8.230 nan 0.000 0.432 503 N N -0.770 117.770 118.700 -0.266 0.000 2.223 503 N HA -0.163 4.580 4.740 0.005 0.000 0.185 503 N C 1.675 177.075 175.510 -0.183 0.000 1.016 503 N CA 1.095 54.031 53.050 -0.190 0.000 0.863 503 N CB -0.086 38.307 38.487 -0.157 0.000 0.983 503 N HN 0.096 nan 8.380 nan 0.000 0.429 504 V N 0.784 120.569 119.914 -0.214 0.000 2.358 504 V HA -0.220 3.903 4.120 0.005 0.000 0.246 504 V C 2.130 178.047 176.094 -0.295 0.000 1.047 504 V CA 1.465 63.566 62.300 -0.332 0.000 1.035 504 V CB -0.410 31.027 31.823 -0.643 0.000 0.658 504 V HN 0.362 nan 8.190 nan 0.000 0.452 505 M N -0.757 118.727 119.600 -0.195 0.000 2.159 505 M HA -0.141 4.342 4.480 0.005 0.000 0.263 505 M C 2.048 178.293 176.300 -0.092 0.000 1.063 505 M CA 1.783 57.026 55.300 -0.096 0.000 1.110 505 M CB -0.494 32.083 32.600 -0.038 0.000 1.374 505 M HN 0.245 nan 8.290 nan 0.000 0.411 506 L N -0.025 121.129 121.223 -0.116 0.000 2.549 506 L HA -0.136 4.207 4.340 0.005 0.000 0.229 506 L C 1.932 178.758 176.870 -0.074 0.000 1.158 506 L CA 0.883 55.674 54.840 -0.083 0.000 0.842 506 L CB -0.344 41.661 42.059 -0.090 0.000 0.952 506 L HN 0.288 nan 8.230 nan 0.000 0.452 507 K N -0.899 119.443 120.400 -0.097 0.000 2.361 507 K HA 0.043 4.366 4.320 0.005 0.000 0.194 507 K C 0.754 177.310 176.600 -0.073 0.000 1.032 507 K CA -0.198 56.037 56.287 -0.087 0.000 1.048 507 K CB 0.210 32.643 32.500 -0.112 0.000 0.842 507 K HN 0.145 nan 8.250 nan 0.000 0.526 508 N N 1.901 120.559 118.700 -0.070 0.000 2.442 508 N HA -0.025 4.718 4.740 0.005 0.000 0.265 508 N C 0.471 175.969 175.510 -0.021 0.000 1.138 508 N CA 0.149 53.173 53.050 -0.043 0.000 0.956 508 N CB 0.838 39.309 38.487 -0.026 0.000 1.067 508 N HN -0.115 nan 8.380 nan 0.000 0.474 509 K N 1.823 122.214 120.400 -0.015 0.000 2.032 509 K HA -0.133 4.190 4.320 0.005 0.000 0.209 509 K C 1.735 178.336 176.600 0.002 0.000 1.048 509 K CA 1.026 57.309 56.287 -0.007 0.000 0.927 509 K CB -0.753 31.744 32.500 -0.005 0.000 0.712 509 K HN 0.559 nan 8.250 nan 0.000 0.441 510 S N 0.926 116.633 115.700 0.012 0.000 2.383 510 S HA -0.071 4.402 4.470 0.005 0.000 0.227 510 S C 1.819 176.428 174.600 0.014 0.000 1.026 510 S CA 1.276 59.489 58.200 0.021 0.000 0.981 510 S CB -0.028 63.196 63.200 0.040 0.000 0.818 510 S HN 0.423 nan 8.310 nan 0.000 0.472 511 I N -1.334 119.245 120.570 0.015 0.000 4.227 511 I HA 0.310 4.484 4.170 0.005 0.000 0.334 511 I C 1.696 177.819 176.117 0.010 0.000 1.341 511 I CA -0.055 61.250 61.300 0.008 0.000 1.123 511 I CB -0.173 37.840 38.000 0.023 0.000 1.097 511 I HN 0.131 nan 8.210 nan 0.000 0.399 512 K N 1.359 121.760 120.400 0.003 0.000 2.089 512 K HA -0.216 4.107 4.320 0.005 0.000 0.210 512 K C 0.902 177.508 176.600 0.011 0.000 1.048 512 K CA 2.364 58.650 56.287 -0.001 0.000 0.926 512 K CB -0.589 31.902 32.500 -0.016 0.000 0.714 512 K HN 0.337 nan 8.250 nan 0.000 0.448 513 D N -0.126 120.276 120.400 0.003 0.000 2.340 513 D HA 0.027 4.670 4.640 0.005 0.000 0.220 513 D C 1.381 177.689 176.300 0.013 0.000 1.039 513 D CA 0.197 54.198 54.000 0.002 0.000 0.866 513 D CB 0.308 41.094 40.800 -0.024 0.000 0.913 513 D HN 0.205 nan 8.370 nan 0.000 0.523 514 R N 0.153 120.664 120.500 0.018 0.000 2.280 514 R HA 0.189 4.532 4.340 0.005 0.000 0.195 514 R C 0.841 177.188 176.300 0.078 0.000 0.935 514 R CA -0.101 56.011 56.100 0.020 0.000 1.033 514 R CB 0.022 30.292 30.300 -0.050 0.000 0.964 514 R HN 0.202 nan 8.270 nan 0.000 0.489 515 L N 1.482 122.770 121.223 0.110 0.000 2.453 515 L HA 0.115 4.458 4.340 0.005 0.000 0.272 515 L C 0.098 177.122 176.870 0.256 0.000 1.182 515 L CA -0.100 54.862 54.840 0.204 0.000 0.858 515 L CB 0.807 42.962 42.059 0.161 0.000 1.120 515 L HN -0.275 nan 8.230 nan 0.000 0.474 516 V N 4.179 124.290 119.914 0.327 0.000 2.320 516 V HA 0.247 4.370 4.120 0.005 0.000 0.268 516 V C -2.283 174.027 176.094 0.360 0.000 1.021 516 V CA -1.522 60.971 62.300 0.321 0.000 0.813 516 V CB 1.059 33.058 31.823 0.294 0.000 1.054 516 V HN 0.602 nan 8.190 nan 0.000 0.444 517 P HA 0.405 nan 4.420 nan 0.000 0.276 517 P C -0.538 176.955 177.300 0.321 0.000 1.235 517 P CA 0.208 63.524 63.100 0.360 0.000 0.772 517 P CB 0.776 32.628 31.700 0.253 0.000 0.871 518 I N 4.475 125.269 120.570 0.373 0.000 2.545 518 I HA 0.525 4.698 4.170 0.005 0.000 0.292 518 I C 0.142 176.494 176.117 0.392 0.000 1.040 518 I CA -0.970 60.510 61.300 0.300 0.000 1.068 518 I CB 1.748 39.871 38.000 0.204 0.000 1.251 518 I HN 0.237 nan 8.210 nan 0.000 0.424 519 I N 1.707 122.469 120.570 0.319 0.000 2.865 519 I HA 0.842 5.015 4.170 0.005 0.000 0.302 519 I C -0.621 175.673 176.117 0.295 0.000 1.140 519 I CA -0.923 60.602 61.300 0.375 0.000 1.021 519 I CB 2.404 40.621 38.000 0.361 0.000 1.233 519 I HN 0.560 nan 8.210 nan 0.000 0.427 520 A N 3.209 126.230 122.820 0.334 0.000 2.838 520 A HA 0.520 4.843 4.320 0.005 0.000 0.337 520 A C 0.319 177.994 177.584 0.152 0.000 1.383 520 A CA 0.136 52.296 52.037 0.206 0.000 0.985 520 A CB -0.188 18.951 19.000 0.232 0.000 1.157 520 A HN 1.019 nan 8.150 nan 0.000 0.497 521 D N 0.404 120.891 120.400 0.145 0.000 4.286 521 D HA -0.216 4.427 4.640 0.005 0.000 0.203 521 D C 0.293 176.690 176.300 0.161 0.000 1.071 521 D CA 2.376 56.450 54.000 0.122 0.000 2.291 521 D CB -1.124 39.716 40.800 0.067 0.000 1.164 521 D HN 0.596 nan 8.370 nan 0.000 0.407 522 E N 0.326 120.592 120.200 0.110 0.000 2.614 522 E HA 0.417 4.770 4.350 0.005 0.000 0.245 522 E C 0.503 177.251 176.600 0.247 0.000 1.039 522 E CA 0.937 57.382 56.400 0.075 0.000 0.948 522 E CB 0.447 30.048 29.700 -0.165 0.000 0.937 522 E HN 0.409 nan 8.360 nan 0.000 0.498 523 A N 4.649 127.589 122.820 0.199 0.000 1.878 523 A HA 0.118 4.441 4.320 0.005 0.000 0.201 523 A C 1.716 179.347 177.584 0.079 0.000 1.684 523 A CA -0.085 52.087 52.037 0.225 0.000 1.113 523 A CB 0.209 19.335 19.000 0.209 0.000 1.131 523 A HN 0.462 nan 8.150 nan 0.000 0.472 524 R N 0.158 120.684 120.500 0.043 0.000 2.096 524 R HA -0.092 4.251 4.340 0.005 0.000 0.235 524 R C 1.884 178.154 176.300 -0.049 0.000 1.127 524 R CA 1.859 57.960 56.100 0.003 0.000 0.968 524 R CB -0.644 29.679 30.300 0.038 0.000 0.861 524 R HN 0.476 nan 8.270 nan 0.000 0.440 525 T N 0.508 114.970 114.554 -0.153 0.000 2.849 525 T HA -0.110 4.243 4.350 0.005 0.000 0.270 525 T C 0.820 175.310 174.700 -0.351 0.000 1.066 525 T CA 1.168 63.087 62.100 -0.301 0.000 1.130 525 T CB -0.117 68.474 68.868 -0.462 0.000 0.864 525 T HN 0.119 nan 8.240 nan 0.000 0.481 526 F N 0.246 120.256 119.950 0.100 0.000 2.641 526 F HA 0.439 4.969 4.527 0.005 0.000 0.302 526 F C 1.680 177.512 175.800 0.054 0.000 1.098 526 F CA -0.992 57.061 58.000 0.089 0.000 1.318 526 F CB -0.501 38.565 39.000 0.110 0.000 1.035 526 F HN 0.154 nan 8.300 nan 0.000 0.551 527 G N 0.742 109.614 108.800 0.120 0.000 2.305 527 G HA2 -0.311 3.652 3.960 0.005 0.000 0.287 527 G HA3 -0.311 3.652 3.960 0.005 0.000 0.287 527 G C 1.007 175.918 174.900 0.019 0.000 1.036 527 G CA 0.563 45.693 45.100 0.050 0.000 0.887 527 G HN 0.228 nan 8.290 nan 0.000 0.505 528 M N -0.759 118.844 119.600 0.005 0.000 2.492 528 M HA 0.150 4.633 4.480 0.005 0.000 0.255 528 M C 1.880 177.959 176.300 -0.368 0.000 1.139 528 M CA 0.606 55.853 55.300 -0.088 0.000 1.096 528 M CB -0.244 32.368 32.600 0.020 0.000 1.360 528 M HN 0.494 nan 8.290 nan 0.000 0.480 529 E N 0.696 120.641 120.200 -0.425 0.000 2.333 529 E HA -0.152 4.201 4.350 0.005 0.000 0.200 529 E C 1.702 178.070 176.600 -0.386 0.000 1.010 529 E CA 1.009 57.003 56.400 -0.678 0.000 0.841 529 E CB -0.031 29.522 29.700 -0.246 0.000 0.757 529 E HN 0.555 nan 8.360 nan 0.000 0.508 530 G N -0.040 108.630 108.800 -0.216 0.000 2.776 530 G HA2 -0.090 3.873 3.960 0.005 0.000 0.209 530 G HA3 -0.090 3.873 3.960 0.005 0.000 0.209 530 G C 1.240 176.088 174.900 -0.086 0.000 1.145 530 G CA -0.020 45.017 45.100 -0.105 0.000 0.791 530 G HN 0.185 nan 8.290 nan 0.000 0.530 531 L N -0.971 120.162 121.223 -0.149 0.000 2.609 531 L HA 0.279 4.622 4.340 0.005 0.000 0.230 531 L C 1.834 178.771 176.870 0.112 0.000 1.087 531 L CA -0.264 54.553 54.840 -0.038 0.000 0.874 531 L CB -0.051 41.982 42.059 -0.044 0.000 1.114 531 L HN 0.013 nan 8.230 nan 0.000 0.488 532 F N 1.248 121.230 119.950 0.052 0.000 2.307 532 F HA -0.183 4.347 4.527 0.005 0.000 0.301 532 F C 2.448 178.271 175.800 0.039 0.000 1.076 532 F CA 1.144 59.176 58.000 0.053 0.000 1.383 532 F CB -0.653 38.377 39.000 0.050 0.000 1.055 532 F HN 0.061 nan 8.300 nan 0.000 0.526 533 R N -0.732 119.891 120.500 0.205 0.000 2.075 533 R HA -0.028 4.315 4.340 0.005 0.000 0.220 533 R C 2.128 178.475 176.300 0.079 0.000 1.118 533 R CA 0.714 56.884 56.100 0.117 0.000 0.986 533 R CB -0.617 29.731 30.300 0.080 0.000 0.884 533 R HN 0.241 nan 8.270 nan 0.000 0.439 534 Q N 1.082 120.918 119.800 0.061 0.000 2.020 534 Q HA -0.125 4.218 4.340 0.005 0.000 0.202 534 Q C 1.823 177.851 176.000 0.046 0.000 0.982 534 Q CA 1.893 57.718 55.803 0.036 0.000 0.838 534 Q CB 0.198 28.942 28.738 0.010 0.000 0.899 534 Q HN 0.505 nan 8.270 nan 0.000 0.423 535 I N -4.727 115.886 120.570 0.072 0.000 4.227 535 I HA 0.458 4.631 4.170 0.005 0.000 0.334 535 I C 0.728 176.915 176.117 0.118 0.000 1.341 535 I CA 0.158 61.507 61.300 0.083 0.000 1.123 535 I CB 0.735 38.783 38.000 0.081 0.000 1.097 535 I HN 0.181 nan 8.210 nan 0.000 0.399 536 G N 2.875 111.764 108.800 0.148 0.000 2.846 536 G HA2 -0.231 3.732 3.960 0.005 0.000 0.660 536 G HA3 -0.231 3.732 3.960 0.005 0.000 0.660 536 G C -0.846 174.172 174.900 0.196 0.000 1.464 536 G CA -0.064 45.130 45.100 0.156 0.000 0.891 536 G HN 0.542 nan 8.290 nan 0.000 0.552 537 I N 0.442 121.093 120.570 0.135 0.000 2.412 537 I HA 0.641 4.814 4.170 0.005 0.000 0.296 537 I C 0.234 176.439 176.117 0.148 0.000 0.987 537 I CA -1.361 60.018 61.300 0.131 0.000 1.180 537 I CB 1.130 39.099 38.000 -0.051 0.000 1.340 537 I HN 0.728 nan 8.210 nan 0.000 0.455 538 Y N 6.882 127.238 120.300 0.094 0.000 2.526 538 Y HA 0.267 4.820 4.550 0.005 0.000 0.330 538 Y C -0.113 175.798 175.900 0.018 0.000 1.156 538 Y CA 0.204 58.363 58.100 0.099 0.000 1.419 538 Y CB 0.591 39.179 38.460 0.213 0.000 1.250 538 Y HN 0.535 nan 8.280 nan 0.000 0.540 539 S N 8.985 124.337 115.700 -0.580 0.000 2.357 539 S HA 0.310 4.783 4.470 0.005 0.000 0.209 539 S C -2.846 171.380 174.600 -0.624 0.000 0.981 539 S CA -1.172 56.696 58.200 -0.555 0.000 1.106 539 S CB 0.323 63.360 63.200 -0.271 0.000 1.266 539 S HN 0.625 nan 8.310 nan 0.000 0.410 559 D N -0.527 119.839 120.400 -0.057 0.000 2.837 559 D HA 0.121 4.765 4.640 0.005 0.000 0.294 559 D C 0.981 177.215 176.300 -0.110 0.000 1.158 559 D CA -0.615 53.330 54.000 -0.091 0.000 1.073 559 D CB 0.170 40.937 40.800 -0.055 0.000 1.419 559 D HN 0.031 nan 8.370 nan 0.000 0.584 560 E N 0.051 120.164 120.200 -0.144 0.000 2.478 560 E HA -0.118 4.236 4.350 0.005 0.000 0.198 560 E C 0.512 177.178 176.600 0.109 0.000 1.046 560 E CA 0.781 57.090 56.400 -0.152 0.000 0.870 560 E CB -0.150 29.337 29.700 -0.354 0.000 0.818 560 E HN 0.391 nan 8.360 nan 0.000 0.527 561 K N 0.963 121.405 120.400 0.070 0.000 2.367 561 K HA 0.159 4.482 4.320 0.005 0.000 0.194 561 K C 0.947 177.608 176.600 0.103 0.000 1.027 561 K CA 0.515 56.842 56.287 0.065 0.000 1.075 561 K CB 0.420 32.934 32.500 0.024 0.000 0.845 561 K HN 0.137 nan 8.250 nan 0.000 0.529 562 G N 1.779 110.677 108.800 0.164 0.000 2.391 562 G HA2 -0.155 3.809 3.960 0.005 0.000 0.234 562 G HA3 -0.155 3.809 3.960 0.005 0.000 0.234 562 G C 0.520 175.594 174.900 0.291 0.000 1.284 562 G CA -0.035 45.186 45.100 0.202 0.000 0.873 562 G HN 0.263 nan 8.290 nan 0.000 0.549 563 Q N 1.399 121.346 119.800 0.244 0.000 2.297 563 Q HA 0.141 4.484 4.340 0.005 0.000 0.203 563 Q C 1.010 177.215 176.000 0.342 0.000 0.931 563 Q CA 0.032 56.005 55.803 0.284 0.000 0.885 563 Q CB 0.075 28.921 28.738 0.180 0.000 0.991 563 Q HN 0.655 nan 8.270 nan 0.000 0.498 564 I N 2.250 122.997 120.570 0.295 0.000 2.529 564 I HA 0.068 4.241 4.170 0.005 0.000 0.284 564 I C -0.445 175.828 176.117 0.260 0.000 1.082 564 I CA -0.243 61.225 61.300 0.280 0.000 1.406 564 I CB 0.970 39.165 38.000 0.325 0.000 1.405 564 I HN 0.155 nan 8.210 nan 0.000 0.548 565 L N 6.287 127.623 121.223 0.189 0.000 2.257 565 L HA 0.289 4.632 4.340 0.005 0.000 0.290 565 L C -0.210 176.764 176.870 0.173 0.000 1.044 565 L CA -0.522 54.405 54.840 0.145 0.000 0.810 565 L CB 1.055 43.128 42.059 0.024 0.000 1.193 565 L HN 0.547 nan 8.230 nan 0.000 0.425 566 Q N 2.960 122.862 119.800 0.169 0.000 2.431 566 Q HA 0.155 4.498 4.340 0.005 0.000 0.249 566 Q C 0.054 176.121 176.000 0.112 0.000 1.025 566 Q CA -0.071 55.823 55.803 0.151 0.000 0.835 566 Q CB 1.034 29.835 28.738 0.105 0.000 1.207 566 Q HN 0.402 nan 8.270 nan 0.000 0.490 567 E N 3.050 123.308 120.200 0.097 0.000 2.479 567 E HA 0.217 4.570 4.350 0.005 0.000 0.193 567 E C 0.676 177.313 176.600 0.061 0.000 1.049 567 E CA 0.558 57.004 56.400 0.077 0.000 0.870 567 E CB 0.246 29.947 29.700 0.000 0.000 0.944 567 E HN 0.913 nan 8.360 nan 0.000 0.492 568 G N 1.933 110.772 108.800 0.066 0.000 2.593 568 G HA2 -0.299 3.664 3.960 0.005 0.000 0.237 568 G HA3 -0.299 3.664 3.960 0.005 0.000 0.237 568 G C 0.013 174.935 174.900 0.036 0.000 1.312 568 G CA -0.278 44.851 45.100 0.049 0.000 0.896 568 G HN 0.220 nan 8.290 nan 0.000 0.574 569 I N 2.185 122.764 120.570 0.015 0.000 2.227 569 I HA 0.304 4.477 4.170 0.005 0.000 0.297 569 I C 0.432 176.533 176.117 -0.027 0.000 1.173 569 I CA 0.050 61.345 61.300 -0.010 0.000 1.356 569 I CB -0.087 37.901 38.000 -0.019 0.000 1.485 569 I HN 0.424 nan 8.210 nan 0.000 0.604 570 N N 3.944 122.626 118.700 -0.030 0.000 2.976 570 N HA 0.087 4.830 4.740 0.005 0.000 0.220 570 N C 0.392 175.845 175.510 -0.095 0.000 1.428 570 N CA -0.136 52.879 53.050 -0.059 0.000 0.748 570 N CB 0.745 39.209 38.487 -0.037 0.000 1.484 570 N HN 0.214 nan 8.380 nan 0.000 0.578 571 E N 0.593 120.750 120.200 -0.073 0.000 2.110 571 E HA -0.070 4.283 4.350 0.005 0.000 0.193 571 E C 1.530 178.033 176.600 -0.162 0.000 0.988 571 E CA 0.843 57.211 56.400 -0.053 0.000 0.804 571 E CB 0.172 29.853 29.700 -0.032 0.000 0.745 571 E HN 0.501 nan 8.360 nan 0.000 0.458 572 L N 0.090 121.217 121.223 -0.161 0.000 2.056 572 L HA 0.006 4.349 4.340 0.005 0.000 0.207 572 L C 2.081 178.752 176.870 -0.332 0.000 1.078 572 L CA 2.119 56.848 54.840 -0.185 0.000 0.749 572 L CB -0.934 41.058 42.059 -0.110 0.000 0.901 572 L HN 0.196 nan 8.230 nan 0.000 0.433 573 G N -1.218 107.326 108.800 -0.427 0.000 2.418 573 G HA2 -0.243 3.720 3.960 0.005 0.000 0.217 573 G HA3 -0.243 3.720 3.960 0.005 0.000 0.217 573 G C 1.597 175.898 174.900 -0.999 0.000 1.158 573 G CA 0.756 45.256 45.100 -1.000 0.000 0.771 573 G HN 0.598 nan 8.290 nan 0.000 0.545 574 A N 0.844 123.298 122.820 -0.610 0.000 1.898 574 A HA 0.185 4.509 4.320 0.005 0.000 0.216 574 A C 2.695 179.834 177.584 -0.743 0.000 1.181 574 A CA 2.001 53.626 52.037 -0.687 0.000 0.620 574 A CB -0.987 17.504 19.000 -0.850 0.000 0.819 574 A HN 0.509 nan 8.150 nan 0.000 0.442 575 G N -1.095 107.357 108.800 -0.580 0.000 2.422 575 G HA2 -0.231 3.732 3.960 0.005 0.000 0.218 575 G HA3 -0.231 3.732 3.960 0.005 0.000 0.218 575 G C 1.516 176.358 174.900 -0.096 0.000 1.146 575 G CA 1.287 46.220 45.100 -0.279 0.000 0.769 575 G HN 0.516 nan 8.290 nan 0.000 0.547 576 C N 0.400 119.560 119.300 -0.233 0.000 2.450 576 C HA 0.076 4.539 4.460 0.005 0.000 0.279 576 C C 3.352 178.309 174.990 -0.055 0.000 1.335 576 C CA 1.078 60.027 59.018 -0.116 0.000 1.749 576 C CB -0.682 26.970 27.740 -0.147 0.000 1.963 576 C HN 0.401 nan 8.230 nan 0.000 0.501 577 S N -0.637 114.977 115.700 -0.145 0.000 2.357 577 S HA -0.188 4.286 4.470 0.005 0.000 0.221 577 S C 1.432 175.956 174.600 -0.127 0.000 1.031 577 S CA 1.247 59.422 58.200 -0.041 0.000 0.982 577 S CB -0.405 62.785 63.200 -0.017 0.000 0.853 577 S HN 0.824 nan 8.310 nan 0.000 0.458 578 W N 2.260 123.400 121.300 -0.266 0.000 2.335 578 W HA -0.162 4.501 4.660 0.005 0.000 0.311 578 W C 1.857 178.261 176.519 -0.193 0.000 1.213 578 W CA 1.192 58.418 57.345 -0.197 0.000 1.274 578 W CB -0.572 28.795 29.460 -0.155 0.000 1.148 578 W HN 0.264 nan 8.180 nan 0.000 0.498 579 L N 1.540 122.738 121.223 -0.042 0.000 2.056 579 L HA -0.015 4.328 4.340 0.005 0.000 0.207 579 L C 2.453 179.147 176.870 -0.293 0.000 1.078 579 L CA 2.796 57.528 54.840 -0.181 0.000 0.749 579 L CB -1.548 40.559 42.059 0.081 0.000 0.901 579 L HN 0.064 nan 8.230 nan 0.000 0.433 580 A N -0.437 122.219 122.820 -0.275 0.000 1.902 580 A HA -0.112 4.211 4.320 0.005 0.000 0.217 580 A C 2.450 179.555 177.584 -0.798 0.000 1.181 580 A CA 1.949 53.757 52.037 -0.381 0.000 0.623 580 A CB -1.194 17.618 19.000 -0.312 0.000 0.818 580 A HN 0.585 nan 8.150 nan 0.000 0.443 581 A N -0.198 121.966 122.820 -1.094 0.000 1.873 581 A HA 0.205 4.528 4.320 0.005 0.000 0.215 581 A C 2.416 179.711 177.584 -0.482 0.000 1.186 581 A CA 1.899 53.318 52.037 -1.031 0.000 0.616 581 A CB -0.983 17.652 19.000 -0.609 0.000 0.823 581 A HN 1.140 nan 8.150 nan 0.000 0.442 582 A N -0.593 121.878 122.820 -0.582 0.000 2.216 582 A HA 0.076 4.399 4.320 0.005 0.000 0.214 582 A C 1.841 179.380 177.584 -0.074 0.000 1.160 582 A CA 1.953 53.725 52.037 -0.442 0.000 0.725 582 A CB -0.779 17.570 19.000 -1.085 0.000 0.784 582 A HN 0.799 nan 8.150 nan 0.000 0.472 583 T N -5.030 109.434 114.554 -0.151 0.000 3.091 583 T HA 0.200 4.553 4.350 0.005 0.000 0.277 583 T C 1.369 175.916 174.700 -0.255 0.000 0.996 583 T CA 0.667 62.648 62.100 -0.198 0.000 0.897 583 T CB 0.104 68.877 68.868 -0.158 0.000 1.109 583 T HN 0.156 nan 8.240 nan 0.000 0.534 584 S N 1.496 117.145 115.700 -0.085 0.000 2.419 584 S HA -0.126 4.347 4.470 0.005 0.000 0.233 584 S C 1.857 176.475 174.600 0.030 0.000 1.016 584 S CA 1.250 59.464 58.200 0.023 0.000 0.974 584 S CB -0.639 62.662 63.200 0.169 0.000 0.786 584 S HN 0.817 nan 8.310 nan 0.000 0.492 585 Y N 0.762 121.116 120.300 0.090 0.000 2.274 585 Y HA 0.076 4.630 4.550 0.005 0.000 0.290 585 Y C 2.489 178.494 175.900 0.174 0.000 1.145 585 Y CA 1.423 59.605 58.100 0.137 0.000 1.203 585 Y CB -1.009 37.584 38.460 0.221 0.000 0.984 585 Y HN 0.304 nan 8.280 nan 0.000 0.533 586 S N -0.260 115.009 115.700 -0.719 0.000 2.398 586 S HA -0.111 4.362 4.470 0.005 0.000 0.220 586 S C 2.127 176.605 174.600 -0.202 0.000 1.046 586 S CA 1.055 58.973 58.200 -0.469 0.000 0.953 586 S CB -1.035 61.752 63.200 -0.687 0.000 0.856 586 S HN 0.712 nan 8.310 nan 0.000 0.506 587 T N 0.368 114.812 114.554 -0.184 0.000 2.951 587 T HA 0.104 4.457 4.350 0.005 0.000 0.268 587 T C 1.155 175.865 174.700 0.017 0.000 1.073 587 T CA 1.159 63.226 62.100 -0.055 0.000 1.134 587 T CB -0.351 68.544 68.868 0.045 0.000 0.884 587 T HN 0.410 nan 8.240 nan 0.000 0.479 588 N N 1.055 119.777 118.700 0.036 0.000 2.171 588 N HA 0.108 4.852 4.740 0.005 0.000 0.212 588 N C 0.297 175.849 175.510 0.070 0.000 1.184 588 N CA 0.161 53.249 53.050 0.063 0.000 0.888 588 N CB 0.063 38.607 38.487 0.095 0.000 1.038 588 N HN 0.412 nan 8.380 nan 0.000 0.517 589 N N 0.829 119.579 118.700 0.085 0.000 2.721 589 N HA -0.217 4.526 4.740 0.005 0.000 0.249 589 N C -1.151 174.443 175.510 0.140 0.000 1.072 589 N CA 0.296 53.433 53.050 0.146 0.000 0.710 589 N CB -1.220 37.342 38.487 0.125 0.000 0.993 589 N HN 0.280 nan 8.380 nan 0.000 0.547 590 L N 0.585 121.876 121.223 0.114 0.000 2.454 590 L HA 0.568 4.911 4.340 0.005 0.000 0.258 590 L C -2.372 174.532 176.870 0.057 0.000 1.025 590 L CA -1.740 53.143 54.840 0.073 0.000 0.901 590 L CB 1.280 43.382 42.059 0.072 0.000 1.210 590 L HN -0.050 nan 8.230 nan 0.000 0.457 591 P HA 0.146 nan 4.420 nan 0.000 0.267 591 P C -1.004 176.221 177.300 -0.126 0.000 1.205 591 P CA 0.117 63.155 63.100 -0.104 0.000 0.765 591 P CB 0.848 32.191 31.700 -0.593 0.000 0.828 592 M N 3.753 123.309 119.600 -0.075 0.000 2.530 592 M HA 0.457 4.940 4.480 0.005 0.000 0.307 592 M C -0.007 176.143 176.300 -0.250 0.000 1.161 592 M CA -0.742 54.522 55.300 -0.061 0.000 0.903 592 M CB 2.076 34.800 32.600 0.207 0.000 1.711 592 M HN 0.225 nan 8.290 nan 0.000 0.451 593 I N 4.710 125.152 120.570 -0.214 0.000 2.502 593 I HA 0.295 4.468 4.170 0.005 0.000 0.276 593 I C -2.235 173.901 176.117 0.031 0.000 1.057 593 I CA -1.561 59.601 61.300 -0.230 0.000 1.163 593 I CB 1.461 39.318 38.000 -0.239 0.000 1.288 593 I HN 0.228 nan 8.210 nan 0.000 0.479 594 P HA 0.340 nan 4.420 nan 0.000 0.286 594 P C -1.105 176.307 177.300 0.187 0.000 1.261 594 P CA -0.327 62.859 63.100 0.142 0.000 0.821 594 P CB 1.070 32.742 31.700 -0.047 0.000 1.013 595 F N 2.300 122.546 119.950 0.494 0.000 2.500 595 F HA 0.255 4.785 4.527 0.005 0.000 0.349 595 F C -0.146 175.962 175.800 0.513 0.000 1.127 595 F CA -0.742 57.578 58.000 0.533 0.000 0.998 595 F CB 1.103 40.376 39.000 0.455 0.000 1.237 595 F HN 0.238 nan 8.300 nan 0.000 0.439 596 Y N 5.831 126.393 120.300 0.437 0.000 2.385 596 Y HA 0.615 5.168 4.550 0.005 0.000 0.341 596 Y C -1.069 174.918 175.900 0.145 0.000 0.965 596 Y CA -2.177 56.082 58.100 0.265 0.000 1.180 596 Y CB 0.738 39.259 38.460 0.102 0.000 1.139 596 Y HN 0.567 nan 8.280 nan 0.000 0.502 597 I N 9.290 129.892 120.570 0.054 0.000 2.441 597 I HA 0.530 4.703 4.170 0.005 0.000 0.295 597 I C -1.723 174.090 176.117 -0.507 0.000 0.994 597 I CA -0.693 60.295 61.300 -0.519 0.000 1.144 597 I CB 1.014 38.630 38.000 -0.640 0.000 1.314 597 I HN 0.681 nan 8.210 nan 0.000 0.445 598 Y N 4.250 124.167 120.300 -0.638 0.000 2.764 598 Y HA 0.464 5.017 4.550 0.005 0.000 0.331 598 Y C -1.857 174.116 175.900 0.123 0.000 1.280 598 Y CA -1.414 56.554 58.100 -0.219 0.000 1.065 598 Y CB 0.199 38.451 38.460 -0.347 0.000 1.319 598 Y HN 0.294 nan 8.280 nan 0.000 0.453 599 Y N 2.151 122.711 120.300 0.433 0.000 2.496 599 Y HA 0.172 4.725 4.550 0.005 0.000 0.334 599 Y C 1.837 177.792 175.900 0.092 0.000 1.080 599 Y CA -0.268 57.991 58.100 0.264 0.000 1.355 599 Y CB 0.915 39.557 38.460 0.303 0.000 1.193 599 Y HN 0.845 nan 8.280 nan 0.000 0.523 600 S N 2.007 117.741 115.700 0.057 0.000 2.402 600 S HA -0.336 4.137 4.470 0.005 0.000 0.233 600 S C 1.987 176.635 174.600 0.079 0.000 1.030 600 S CA 1.443 59.679 58.200 0.060 0.000 1.003 600 S CB -0.344 62.872 63.200 0.025 0.000 0.813 600 S HN 0.740 nan 8.310 nan 0.000 0.477 601 M N 1.453 120.943 119.600 -0.183 0.000 2.149 601 M HA 0.071 4.554 4.480 0.005 0.000 0.261 601 M C 0.455 176.601 176.300 -0.257 0.000 1.064 601 M CA 1.373 56.449 55.300 -0.375 0.000 1.102 601 M CB -0.834 31.314 32.600 -0.752 0.000 1.369 601 M HN 0.346 nan 8.290 nan 0.000 0.408 602 F N -0.417 119.646 119.950 0.189 0.000 2.701 602 F HA 0.421 4.951 4.527 0.005 0.000 0.295 602 F C 1.520 177.277 175.800 -0.072 0.000 1.165 602 F CA -0.285 57.766 58.000 0.086 0.000 1.399 602 F CB -1.655 37.403 39.000 0.097 0.000 0.996 602 F HN 0.110 nan 8.300 nan 0.000 0.513 603 G N -0.152 108.693 108.800 0.075 0.000 3.199 603 G HA2 0.044 4.007 3.960 0.005 0.000 0.184 603 G HA3 0.044 4.007 3.960 0.005 0.000 0.184 603 G C 1.061 175.786 174.900 -0.292 0.000 1.974 603 G CA -0.149 44.769 45.100 -0.304 0.000 0.885 603 G HN 0.119 nan 8.290 nan 0.000 0.575 604 F N 0.874 120.729 119.950 -0.159 0.000 2.192 604 F HA -0.107 4.423 4.527 0.005 0.000 0.301 604 F C 2.898 178.679 175.800 -0.031 0.000 1.079 604 F CA 1.767 59.698 58.000 -0.114 0.000 1.303 604 F CB -0.335 38.572 39.000 -0.154 0.000 1.024 604 F HN 0.310 nan 8.300 nan 0.000 0.494 605 Q N 0.228 120.136 119.800 0.180 0.000 2.124 605 Q HA -0.233 4.110 4.340 0.005 0.000 0.202 605 Q C 2.277 178.349 176.000 0.120 0.000 0.977 605 Q CA 1.554 57.456 55.803 0.163 0.000 0.850 605 Q CB 0.002 28.861 28.738 0.201 0.000 0.901 605 Q HN 0.176 nan 8.270 nan 0.000 0.429 606 R N 0.461 121.020 120.500 0.099 0.000 2.189 606 R HA 0.105 4.448 4.340 0.005 0.000 0.203 606 R C 1.337 177.637 176.300 -0.001 0.000 1.012 606 R CA 1.016 57.159 56.100 0.071 0.000 1.015 606 R CB 0.214 30.588 30.300 0.123 0.000 0.938 606 R HN 0.481 nan 8.270 nan 0.000 0.472 607 I N -3.719 116.816 120.570 -0.058 0.000 3.658 607 I HA 0.526 4.700 4.170 0.005 0.000 0.328 607 I C 0.976 177.055 176.117 -0.064 0.000 1.567 607 I CA -0.222 61.027 61.300 -0.086 0.000 1.078 607 I CB 0.870 38.771 38.000 -0.165 0.000 1.267 607 I HN 0.017 nan 8.210 nan 0.000 0.495 608 G N 1.248 110.051 108.800 0.004 0.000 2.475 608 G HA2 -0.300 3.664 3.960 0.005 0.000 0.220 608 G HA3 -0.300 3.664 3.960 0.005 0.000 0.220 608 G C 1.106 176.085 174.900 0.131 0.000 1.125 608 G CA 1.404 46.560 45.100 0.093 0.000 0.755 608 G HN 0.456 nan 8.290 nan 0.000 0.565 609 D N -0.490 119.962 120.400 0.086 0.000 2.224 609 D HA -0.017 4.626 4.640 0.005 0.000 0.205 609 D C 2.253 178.660 176.300 0.178 0.000 0.965 609 D CA 0.018 54.091 54.000 0.122 0.000 0.852 609 D CB -0.118 40.722 40.800 0.066 0.000 0.947 609 D HN 0.189 nan 8.370 nan 0.000 0.494 610 L N -0.083 121.205 121.223 0.108 0.000 2.131 610 L HA -0.089 4.254 4.340 0.005 0.000 0.206 610 L C 1.851 178.800 176.870 0.132 0.000 1.087 610 L CA 0.907 55.808 54.840 0.102 0.000 0.767 610 L CB -0.589 41.481 42.059 0.019 0.000 0.917 610 L HN 0.189 nan 8.230 nan 0.000 0.441 611 C N -0.945 118.417 119.300 0.103 0.000 2.422 611 C HA -0.208 4.256 4.460 0.005 0.000 0.279 611 C C 2.608 177.833 174.990 0.391 0.000 1.305 611 C CA 0.355 59.471 59.018 0.162 0.000 1.757 611 C CB -1.207 26.589 27.740 0.093 0.000 1.962 611 C HN 0.731 nan 8.230 nan 0.000 0.499 612 W N 1.450 122.856 121.300 0.178 0.000 2.407 612 W HA -0.088 4.575 4.660 0.005 0.000 0.305 612 W C 2.440 179.067 176.519 0.181 0.000 1.196 612 W CA 1.449 58.898 57.345 0.175 0.000 1.311 612 W CB -0.469 29.062 29.460 0.118 0.000 1.135 612 W HN 0.315 nan 8.180 nan 0.000 0.514 613 A N 0.940 123.970 122.820 0.350 0.000 1.940 613 A HA -0.124 4.199 4.320 0.005 0.000 0.219 613 A C 2.091 179.784 177.584 0.182 0.000 1.176 613 A CA 2.515 54.696 52.037 0.239 0.000 0.631 613 A CB -1.229 17.920 19.000 0.249 0.000 0.814 613 A HN 0.318 nan 8.150 nan 0.000 0.446 614 A N -0.513 122.433 122.820 0.209 0.000 1.930 614 A HA 0.147 4.470 4.320 0.005 0.000 0.217 614 A C 2.394 180.132 177.584 0.257 0.000 1.175 614 A CA 1.827 53.991 52.037 0.212 0.000 0.627 614 A CB -1.311 17.818 19.000 0.214 0.000 0.815 614 A HN 0.713 nan 8.150 nan 0.000 0.443 615 G N -0.221 108.755 108.800 0.294 0.000 2.418 615 G HA2 -0.292 3.671 3.960 0.005 0.000 0.217 615 G HA3 -0.292 3.671 3.960 0.005 0.000 0.217 615 G C 1.347 176.251 174.900 0.005 0.000 1.158 615 G CA 1.379 46.585 45.100 0.177 0.000 0.771 615 G HN 0.511 nan 8.290 nan 0.000 0.545 616 D N 0.149 120.510 120.400 -0.065 0.000 2.117 616 D HA -0.121 4.522 4.640 0.005 0.000 0.197 616 D C 2.271 178.613 176.300 0.069 0.000 0.987 616 D CA 0.964 54.950 54.000 -0.022 0.000 0.829 616 D CB -0.297 40.527 40.800 0.041 0.000 0.961 616 D HN 0.429 nan 8.370 nan 0.000 0.460 617 Q N -0.589 119.270 119.800 0.098 0.000 2.482 617 Q HA -0.008 4.335 4.340 0.005 0.000 0.209 617 Q C -0.171 175.881 176.000 0.087 0.000 0.961 617 Q CA 0.133 55.987 55.803 0.085 0.000 0.945 617 Q CB 0.106 28.906 28.738 0.104 0.000 1.012 617 Q HN 0.195 nan 8.270 nan 0.000 0.515 618 Q N -1.788 118.087 119.800 0.125 0.000 2.487 618 Q HA -0.208 4.135 4.340 0.005 0.000 0.279 618 Q C -0.503 175.640 176.000 0.238 0.000 1.228 618 Q CA 0.860 56.766 55.803 0.172 0.000 0.873 618 Q CB -2.406 26.438 28.738 0.177 0.000 1.260 618 Q HN 0.489 nan 8.270 nan 0.000 0.471 619 A N 1.155 124.094 122.820 0.199 0.000 2.531 619 A HA 0.334 4.658 4.320 0.005 0.000 0.236 619 A C 0.459 178.140 177.584 0.162 0.000 1.062 619 A CA 0.387 52.477 52.037 0.090 0.000 0.760 619 A CB 0.359 19.276 19.000 -0.138 0.000 0.995 619 A HN 0.310 nan 8.150 nan 0.000 0.501 620 R N 1.655 122.191 120.500 0.059 0.000 2.412 620 R HA 0.559 4.902 4.340 0.005 0.000 0.304 620 R C 0.110 176.420 176.300 0.016 0.000 1.066 620 R CA 0.163 56.267 56.100 0.006 0.000 0.923 620 R CB 1.842 31.954 30.300 -0.314 0.000 1.156 620 R HN 1.053 nan 8.270 nan 0.000 0.513 621 G N 1.641 110.458 108.800 0.029 0.000 2.554 621 G HA2 0.500 4.463 3.960 0.005 0.000 0.306 621 G HA3 0.500 4.463 3.960 0.005 0.000 0.306 621 G C -1.812 173.205 174.900 0.195 0.000 1.320 621 G CA -0.596 44.515 45.100 0.019 0.000 0.800 621 G HN 0.213 nan 8.290 nan 0.000 0.481 622 F N 0.012 120.205 119.950 0.405 0.000 2.507 622 F HA 0.652 5.182 4.527 0.005 0.000 0.325 622 F C 0.123 176.149 175.800 0.376 0.000 1.116 622 F CA -0.646 57.563 58.000 0.348 0.000 0.930 622 F CB 2.278 41.263 39.000 -0.024 0.000 1.146 622 F HN 0.109 nan 8.300 nan 0.000 0.447 623 L N 5.169 126.631 121.223 0.397 0.000 2.305 623 L HA 0.496 4.840 4.340 0.005 0.000 0.284 623 L C -0.848 176.132 176.870 0.183 0.000 1.013 623 L CA -0.624 54.287 54.840 0.118 0.000 0.819 623 L CB 1.215 43.279 42.059 0.009 0.000 1.227 623 L HN 0.422 nan 8.230 nan 0.000 0.417 624 I N 3.241 123.738 120.570 -0.122 0.000 2.328 624 I HA 0.260 4.433 4.170 0.005 0.000 0.287 624 I C 0.804 176.462 176.117 -0.767 0.000 1.012 624 I CA -0.215 60.829 61.300 -0.426 0.000 1.195 624 I CB 1.248 38.795 38.000 -0.754 0.000 1.350 624 I HN 0.586 nan 8.210 nan 0.000 0.464 625 G N 5.438 113.896 108.800 -0.571 0.000 2.530 625 G HA2 0.480 4.443 3.960 0.005 0.000 0.313 625 G HA3 0.480 4.443 3.960 0.005 0.000 0.313 625 G C 0.467 175.097 174.900 -0.449 0.000 0.971 625 G CA -0.307 44.433 45.100 -0.600 0.000 1.237 625 G HN 0.735 nan 8.290 nan 0.000 0.446 626 G N 1.264 109.757 108.800 -0.511 0.000 2.580 626 G HA2 0.475 4.438 3.960 0.005 0.000 0.278 626 G HA3 0.475 4.438 3.960 0.005 0.000 0.278 626 G C 0.956 175.928 174.900 0.121 0.000 1.212 626 G CA 0.445 45.446 45.100 -0.165 0.000 0.939 626 G HN 1.605 nan 8.290 nan 0.000 0.513 627 T N -2.394 112.298 114.554 0.230 0.000 3.622 627 T HA -0.218 4.135 4.350 0.005 0.000 0.380 627 T C 0.642 175.339 174.700 -0.006 0.000 0.764 627 T CA 0.861 63.014 62.100 0.088 0.000 1.908 627 T CB -2.587 66.276 68.868 -0.010 0.000 1.771 627 T HN 1.739 nan 8.240 nan 0.000 0.706 628 S N -0.223 115.476 115.700 -0.002 0.000 2.681 628 S HA 0.754 5.227 4.470 0.005 0.000 0.270 628 S C 0.869 175.424 174.600 -0.074 0.000 1.209 628 S CA -0.084 58.105 58.200 -0.017 0.000 0.988 628 S CB 1.401 64.639 63.200 0.063 0.000 1.006 628 S HN 2.445 nan 8.310 nan 0.000 0.558 629 G N 0.550 109.224 108.800 -0.211 0.000 3.019 629 G HA2 -0.116 3.847 3.960 0.005 0.000 0.686 629 G HA3 -0.116 3.847 3.960 0.005 0.000 0.686 629 G C -0.031 174.639 174.900 -0.383 0.000 1.056 629 G CA 0.002 44.845 45.100 -0.429 0.000 0.774 629 G HN 0.873 nan 8.290 nan 0.000 0.583 630 R N 0.595 120.784 120.500 -0.517 0.000 2.080 630 R HA -0.074 4.269 4.340 0.005 0.000 0.236 630 R C 3.064 179.190 176.300 -0.290 0.000 1.137 630 R CA 3.299 59.134 56.100 -0.442 0.000 0.943 630 R CB -0.547 29.321 30.300 -0.719 0.000 0.846 630 R HN 1.162 nan 8.270 nan 0.000 0.431 631 T N -3.670 110.728 114.554 -0.261 0.000 3.113 631 T HA 0.054 4.407 4.350 0.005 0.000 0.256 631 T C 1.388 176.063 174.700 -0.041 0.000 1.131 631 T CA 1.059 63.110 62.100 -0.082 0.000 1.074 631 T CB 0.038 68.882 68.868 -0.041 0.000 0.944 631 T HN 0.190 nan 8.240 nan 0.000 0.516 632 T N 1.716 116.229 114.554 -0.068 0.000 3.009 632 T HA 0.247 4.601 4.350 0.005 0.000 0.258 632 T C 0.642 175.328 174.700 -0.023 0.000 1.063 632 T CA 0.050 62.140 62.100 -0.017 0.000 1.139 632 T CB -0.160 68.711 68.868 0.005 0.000 0.890 632 T HN 0.268 nan 8.240 nan 0.000 0.471 633 L N 4.622 125.811 121.223 -0.057 0.000 2.598 633 L HA 0.328 4.672 4.340 0.005 0.000 0.241 633 L C 1.356 178.191 176.870 -0.057 0.000 1.244 633 L CA -0.561 54.235 54.840 -0.074 0.000 1.198 633 L CB -0.611 41.381 42.059 -0.111 0.000 1.448 633 L HN 0.108 nan 8.230 nan 0.000 0.406 634 N N 0.614 119.297 118.700 -0.028 0.000 2.120 634 N HA -0.157 4.586 4.740 0.005 0.000 0.188 634 N C 1.347 176.850 175.510 -0.012 0.000 1.024 634 N CA 1.400 54.448 53.050 -0.002 0.000 0.852 634 N CB -0.330 38.167 38.487 0.017 0.000 1.003 634 N HN 0.523 nan 8.380 nan 0.000 0.424 635 G N 0.365 109.142 108.800 -0.038 0.000 2.623 635 G HA2 -0.082 3.881 3.960 0.005 0.000 0.214 635 G HA3 -0.082 3.881 3.960 0.005 0.000 0.214 635 G C 1.431 176.284 174.900 -0.078 0.000 1.138 635 G CA -0.024 45.047 45.100 -0.047 0.000 0.794 635 G HN 0.194 nan 8.290 nan 0.000 0.535 636 E N 0.534 120.660 120.200 -0.123 0.000 2.208 636 E HA 0.142 4.495 4.350 0.005 0.000 0.193 636 E C 1.787 178.331 176.600 -0.093 0.000 0.988 636 E CA 0.768 57.032 56.400 -0.226 0.000 0.828 636 E CB -0.186 29.277 29.700 -0.394 0.000 0.763 636 E HN 0.437 nan 8.360 nan 0.000 0.478 637 G N 0.820 109.624 108.800 0.007 0.000 2.615 637 G HA2 -0.275 3.688 3.960 0.005 0.000 0.218 637 G HA3 -0.275 3.688 3.960 0.005 0.000 0.218 637 G C 0.478 175.469 174.900 0.152 0.000 1.339 637 G CA -0.136 45.011 45.100 0.078 0.000 0.884 637 G HN 0.194 nan 8.290 nan 0.000 0.559 638 L N 0.490 121.807 121.223 0.156 0.000 2.021 638 L HA -0.089 4.255 4.340 0.005 0.000 0.215 638 L C 2.409 179.412 176.870 0.222 0.000 1.074 638 L CA 3.321 58.276 54.840 0.191 0.000 0.760 638 L CB -1.279 40.839 42.059 0.098 0.000 0.889 638 L HN 0.768 nan 8.230 nan 0.000 0.433 639 Q N -2.128 117.806 119.800 0.224 0.000 2.360 639 Q HA -0.044 4.299 4.340 0.005 0.000 0.202 639 Q C 1.047 177.072 176.000 0.041 0.000 0.915 639 Q CA 0.200 56.114 55.803 0.185 0.000 0.943 639 Q CB 0.266 29.116 28.738 0.187 0.000 1.064 639 Q HN 0.664 nan 8.270 nan 0.000 0.511 640 H N -0.766 118.322 119.070 0.029 0.000 2.800 640 H HA 0.169 4.728 4.556 0.005 0.000 0.257 640 H C -0.189 175.043 175.328 -0.160 0.000 0.967 640 H CA -0.126 55.851 56.048 -0.118 0.000 1.192 640 H CB 0.726 30.430 29.762 -0.097 0.000 1.441 640 H HN 0.045 nan 8.280 nan 0.000 0.461 641 E N 2.291 122.521 120.200 0.050 0.000 2.161 641 E HA 0.008 4.361 4.350 0.005 0.000 0.263 641 E C -0.673 175.864 176.600 -0.106 0.000 1.185 641 E CA -0.166 56.209 56.400 -0.040 0.000 0.938 641 E CB 0.285 29.985 29.700 0.000 0.000 1.023 641 E HN 0.254 nan 8.360 nan 0.000 0.433 642 D N 2.426 122.704 120.400 -0.203 0.000 2.347 642 D HA 0.189 4.832 4.640 0.005 0.000 0.235 642 D C 0.366 176.425 176.300 -0.400 0.000 1.149 642 D CA -0.464 53.349 54.000 -0.313 0.000 0.850 642 D CB 0.854 41.498 40.800 -0.259 0.000 1.061 642 D HN 0.433 nan 8.370 nan 0.000 0.487 643 G N 3.044 111.639 108.800 -0.341 0.000 4.100 643 G HA2 0.048 4.011 3.960 0.005 0.000 0.294 643 G HA3 0.048 4.011 3.960 0.005 0.000 0.294 643 G C 0.434 175.372 174.900 0.062 0.000 1.040 643 G CA -0.413 44.445 45.100 -0.403 0.000 0.829 643 G HN 0.720 nan 8.290 nan 0.000 0.505 644 H N -2.179 116.970 119.070 0.132 0.000 3.770 644 H HA 0.050 4.609 4.556 0.005 0.000 0.264 644 H C 1.608 176.972 175.328 0.060 0.000 1.164 644 H CA 0.695 56.810 56.048 0.111 0.000 1.158 644 H CB -0.403 29.361 29.762 0.004 0.000 1.653 644 H HN 0.227 nan 8.280 nan 0.000 0.795 645 S N 0.655 116.287 115.700 -0.115 0.000 2.419 645 S HA -0.191 4.282 4.470 0.005 0.000 0.233 645 S C 1.539 175.970 174.600 -0.282 0.000 1.016 645 S CA 1.099 59.227 58.200 -0.121 0.000 0.974 645 S CB -0.801 62.398 63.200 -0.000 0.000 0.786 645 S HN 0.469 nan 8.310 nan 0.000 0.492 646 H N 0.852 119.754 119.070 -0.281 0.000 2.495 646 H HA 0.152 4.711 4.556 0.005 0.000 0.287 646 H C 1.794 176.981 175.328 -0.235 0.000 1.033 646 H CA 1.164 56.970 56.048 -0.402 0.000 1.307 646 H CB 0.008 29.130 29.762 -1.067 0.000 1.401 646 H HN 0.394 nan 8.280 nan 0.000 0.555 647 I N 0.672 121.218 120.570 -0.039 0.000 2.406 647 I HA -0.163 4.010 4.170 0.005 0.000 0.249 647 I C 2.122 178.203 176.117 -0.059 0.000 1.122 647 I CA 0.901 62.210 61.300 0.015 0.000 1.431 647 I CB -0.834 37.205 38.000 0.064 0.000 1.087 647 I HN 0.221 nan 8.210 nan 0.000 0.424 648 Q N 0.679 120.406 119.800 -0.122 0.000 2.083 648 Q HA -0.136 4.207 4.340 0.005 0.000 0.198 648 Q C 2.397 178.159 176.000 -0.397 0.000 0.969 648 Q CA 2.080 57.783 55.803 -0.166 0.000 0.838 648 Q CB -0.177 28.518 28.738 -0.071 0.000 0.900 648 Q HN 0.575 nan 8.270 nan 0.000 0.436 649 S N 1.137 116.351 115.700 -0.811 0.000 2.423 649 S HA -0.129 4.344 4.470 0.005 0.000 0.231 649 S C 1.914 176.286 174.600 -0.380 0.000 1.014 649 S CA 1.095 58.673 58.200 -1.036 0.000 0.965 649 S CB -0.451 61.964 63.200 -1.308 0.000 0.785 649 S HN 0.423 nan 8.310 nan 0.000 0.495 650 L N 1.746 122.852 121.223 -0.194 0.000 2.551 650 L HA 0.238 4.581 4.340 0.005 0.000 0.228 650 L C 2.025 178.877 176.870 -0.030 0.000 1.153 650 L CA 1.364 56.162 54.840 -0.071 0.000 0.851 650 L CB -1.876 40.188 42.059 0.009 0.000 0.959 650 L HN 0.453 nan 8.230 nan 0.000 0.451 651 T N -2.917 111.627 114.554 -0.017 0.000 3.113 651 T HA 0.267 4.620 4.350 0.005 0.000 0.256 651 T C 0.745 175.585 174.700 0.232 0.000 1.131 651 T CA 0.107 62.258 62.100 0.086 0.000 1.074 651 T CB -0.604 68.308 68.868 0.073 0.000 0.944 651 T HN 0.286 nan 8.240 nan 0.000 0.516 652 I N 2.785 123.438 120.570 0.138 0.000 2.297 652 I HA 0.289 4.462 4.170 0.005 0.000 0.291 652 I C -1.621 174.454 176.117 -0.068 0.000 1.033 652 I CA -2.652 58.715 61.300 0.112 0.000 1.253 652 I CB 1.935 39.999 38.000 0.106 0.000 1.396 652 I HN -0.085 nan 8.210 nan 0.000 0.476 653 P HA -0.186 nan 4.420 nan 0.000 0.216 653 P C 0.524 177.728 177.300 -0.160 0.000 1.154 653 P CA 1.372 64.402 63.100 -0.117 0.000 0.865 653 P CB -0.033 31.599 31.700 -0.114 0.000 0.789 654 N N -1.830 116.742 118.700 -0.213 0.000 2.279 654 N HA 0.022 4.765 4.740 0.005 0.000 0.226 654 N C -0.716 174.554 175.510 -0.400 0.000 1.126 654 N CA -0.369 52.546 53.050 -0.226 0.000 0.846 654 N CB -1.180 37.220 38.487 -0.145 0.000 1.050 654 N HN 0.069 nan 8.380 nan 0.000 0.502 655 C N 1.545 120.571 119.300 -0.458 0.000 2.295 655 C HA 0.585 5.048 4.460 0.005 0.000 0.331 655 C C -0.501 174.291 174.990 -0.329 0.000 1.280 655 C CA -0.981 57.675 59.018 -0.603 0.000 1.746 655 C CB -0.723 26.705 27.740 -0.520 0.000 2.328 655 C HN 0.324 nan 8.230 nan 0.000 0.521 656 I N 6.140 126.513 120.570 -0.328 0.000 2.321 656 I HA 0.345 4.518 4.170 0.005 0.000 0.291 656 I C 0.403 176.314 176.117 -0.343 0.000 0.998 656 I CA 0.263 61.311 61.300 -0.421 0.000 1.227 656 I CB 1.111 38.698 38.000 -0.689 0.000 1.368 656 I HN 0.678 nan 8.210 nan 0.000 0.466 657 S N 6.517 122.048 115.700 -0.281 0.000 2.472 657 S HA 0.721 5.195 4.470 0.005 0.000 0.303 657 S C -0.986 173.488 174.600 -0.210 0.000 1.099 657 S CA -0.478 57.702 58.200 -0.034 0.000 1.077 657 S CB 1.397 64.722 63.200 0.209 0.000 1.031 657 S HN 0.352 nan 8.310 nan 0.000 0.487 658 Y N 0.721 121.095 120.300 0.124 0.000 2.512 658 Y HA 0.436 4.989 4.550 0.005 0.000 0.348 658 Y C -0.306 175.638 175.900 0.074 0.000 0.990 658 Y CA -0.990 57.156 58.100 0.077 0.000 1.033 658 Y CB 1.772 40.270 38.460 0.064 0.000 1.259 658 Y HN 0.582 nan 8.280 nan 0.000 0.461 659 D N 3.995 124.495 120.400 0.167 0.000 2.502 659 D HA 0.273 4.916 4.640 0.005 0.000 0.301 659 D C -2.900 173.470 176.300 0.117 0.000 1.202 659 D CA -2.178 51.876 54.000 0.091 0.000 0.878 659 D CB 0.850 41.597 40.800 -0.088 0.000 1.062 659 D HN 0.054 nan 8.370 nan 0.000 0.499 660 P HA 0.159 nan 4.420 nan 0.000 0.271 660 P C 0.125 177.424 177.300 -0.003 0.000 1.216 660 P CA -0.204 62.925 63.100 0.048 0.000 0.776 660 P CB 2.027 33.747 31.700 0.033 0.000 0.881 661 A N 2.738 125.482 122.820 -0.127 0.000 1.997 661 A HA 0.134 4.457 4.320 0.005 0.000 0.212 661 A C 0.288 177.734 177.584 -0.230 0.000 1.178 661 A CA 1.010 52.899 52.037 -0.247 0.000 0.698 661 A CB -0.401 18.235 19.000 -0.607 0.000 0.842 661 A HN 0.531 nan 8.150 nan 0.000 0.458 662 Y N -2.746 117.514 120.300 -0.067 0.000 2.587 662 Y HA 0.614 5.167 4.550 0.005 0.000 0.337 662 Y C 1.414 177.174 175.900 -0.233 0.000 1.065 662 Y CA -1.204 56.784 58.100 -0.186 0.000 1.126 662 Y CB 1.231 39.370 38.460 -0.535 0.000 1.279 662 Y HN 0.036 nan 8.280 nan 0.000 0.489 663 A N 0.900 123.750 122.820 0.049 0.000 1.902 663 A HA -0.224 4.099 4.320 0.005 0.000 0.217 663 A C 1.793 179.403 177.584 0.043 0.000 1.181 663 A CA 2.129 54.186 52.037 0.033 0.000 0.623 663 A CB -1.380 17.651 19.000 0.050 0.000 0.818 663 A HN 0.895 nan 8.150 nan 0.000 0.443 664 Y N -0.345 120.017 120.300 0.102 0.000 2.333 664 Y HA -0.021 4.532 4.550 0.005 0.000 0.290 664 Y C 1.785 177.713 175.900 0.047 0.000 1.144 664 Y CA 1.127 59.259 58.100 0.054 0.000 1.228 664 Y CB -0.805 37.671 38.460 0.028 0.000 0.985 664 Y HN 0.400 nan 8.280 nan 0.000 0.542 665 E N 0.829 120.949 120.200 -0.133 0.000 2.072 665 E HA -0.118 4.235 4.350 0.005 0.000 0.191 665 E C 2.307 178.890 176.600 -0.030 0.000 0.985 665 E CA 1.390 57.771 56.400 -0.032 0.000 0.801 665 E CB -0.255 29.400 29.700 -0.076 0.000 0.750 665 E HN 0.361 nan 8.360 nan 0.000 0.452 666 V N 1.638 121.538 119.914 -0.023 0.000 2.282 666 V HA -0.327 3.796 4.120 0.005 0.000 0.249 666 V C 2.350 178.420 176.094 -0.041 0.000 1.057 666 V CA 2.044 64.342 62.300 -0.002 0.000 1.032 666 V CB -0.763 31.084 31.823 0.041 0.000 0.645 666 V HN 0.345 nan 8.190 nan 0.000 0.447 667 A N -0.491 122.301 122.820 -0.046 0.000 1.902 667 A HA -0.148 4.175 4.320 0.005 0.000 0.217 667 A C 2.379 179.812 177.584 -0.251 0.000 1.181 667 A CA 1.999 53.927 52.037 -0.183 0.000 0.623 667 A CB -0.667 18.305 19.000 -0.047 0.000 0.818 667 A HN 0.338 nan 8.150 nan 0.000 0.443 668 V N 0.260 120.120 119.914 -0.091 0.000 2.343 668 V HA -0.269 3.854 4.120 0.005 0.000 0.247 668 V C 2.417 178.476 176.094 -0.057 0.000 1.051 668 V CA 2.044 64.315 62.300 -0.049 0.000 1.036 668 V CB -0.698 31.131 31.823 0.009 0.000 0.654 668 V HN 0.569 nan 8.190 nan 0.000 0.451 669 I N -0.842 119.660 120.570 -0.114 0.000 2.179 669 I HA -0.299 3.875 4.170 0.005 0.000 0.242 669 I C 2.516 178.625 176.117 -0.015 0.000 1.088 669 I CA 1.857 63.062 61.300 -0.159 0.000 1.357 669 I CB -0.334 37.468 38.000 -0.331 0.000 1.051 669 I HN 0.248 nan 8.210 nan 0.000 0.409 670 M N -0.489 119.087 119.600 -0.040 0.000 2.117 670 M HA -0.252 4.231 4.480 0.005 0.000 0.262 670 M C 2.532 178.777 176.300 -0.092 0.000 1.065 670 M CA 1.721 56.995 55.300 -0.043 0.000 1.114 670 M CB -0.803 31.697 32.600 -0.166 0.000 1.361 670 M HN 0.353 nan 8.290 nan 0.000 0.408 671 H N -0.090 118.776 119.070 -0.339 0.000 2.321 671 H HA -0.199 4.360 4.556 0.005 0.000 0.300 671 H C 1.523 176.821 175.328 -0.051 0.000 1.087 671 H CA 2.262 58.160 56.048 -0.250 0.000 1.319 671 H CB -0.129 29.427 29.762 -0.344 0.000 1.379 671 H HN 0.331 nan 8.280 nan 0.000 0.501 672 D N -0.306 119.986 120.400 -0.180 0.000 2.117 672 D HA -0.086 4.557 4.640 0.005 0.000 0.197 672 D C 2.457 178.651 176.300 -0.176 0.000 0.987 672 D CA 1.596 55.504 54.000 -0.152 0.000 0.829 672 D CB -0.751 40.071 40.800 0.038 0.000 0.961 672 D HN 0.535 nan 8.370 nan 0.000 0.460 673 G N 0.203 108.822 108.800 -0.302 0.000 2.440 673 G HA2 -0.240 3.723 3.960 0.005 0.000 0.218 673 G HA3 -0.240 3.723 3.960 0.005 0.000 0.218 673 G C 1.573 176.326 174.900 -0.245 0.000 1.154 673 G CA 0.792 45.419 45.100 -0.789 0.000 0.767 673 G HN 0.318 nan 8.290 nan 0.000 0.552 674 L N 0.537 121.810 121.223 0.084 0.000 2.012 674 L HA -0.023 4.320 4.340 0.005 0.000 0.210 674 L C 2.705 179.624 176.870 0.082 0.000 1.073 674 L CA 2.313 57.283 54.840 0.217 0.000 0.748 674 L CB -0.513 41.676 42.059 0.218 0.000 0.891 674 L HN 0.278 nan 8.230 nan 0.000 0.431 675 E N -0.350 119.795 120.200 -0.092 0.000 2.051 675 E HA -0.198 4.156 4.350 0.005 0.000 0.192 675 E C 2.354 178.929 176.600 -0.042 0.000 0.991 675 E CA 1.465 57.815 56.400 -0.083 0.000 0.799 675 E CB -0.062 29.506 29.700 -0.220 0.000 0.748 675 E HN 0.375 nan 8.360 nan 0.000 0.449 676 R N -0.674 119.786 120.500 -0.066 0.000 2.073 676 R HA -0.035 4.308 4.340 0.005 0.000 0.234 676 R C 2.590 178.829 176.300 -0.101 0.000 1.134 676 R CA 1.972 58.041 56.100 -0.051 0.000 0.952 676 R CB -0.297 30.006 30.300 0.006 0.000 0.850 676 R HN 0.285 nan 8.270 nan 0.000 0.433 677 M N -1.320 118.189 119.600 -0.151 0.000 2.193 677 M HA -0.071 4.412 4.480 0.005 0.000 0.265 677 M C 0.902 176.879 176.300 -0.539 0.000 1.071 677 M CA 1.559 56.650 55.300 -0.349 0.000 1.140 677 M CB 0.156 32.527 32.600 -0.381 0.000 1.369 677 M HN 0.111 nan 8.290 nan 0.000 0.423 678 Y N -0.168 120.163 120.300 0.052 0.000 2.531 678 Y HA 0.386 4.939 4.550 0.005 0.000 0.249 678 Y C 1.287 177.337 175.900 0.250 0.000 1.168 678 Y CA -0.660 57.558 58.100 0.198 0.000 1.226 678 Y CB -0.049 38.458 38.460 0.078 0.000 1.177 678 Y HN 0.053 nan 8.280 nan 0.000 0.527 679 G N -0.307 108.596 108.800 0.172 0.000 2.583 679 G HA2 0.119 4.082 3.960 0.005 0.000 0.280 679 G HA3 0.119 4.082 3.960 0.005 0.000 0.280 679 G C 0.582 175.508 174.900 0.043 0.000 1.376 679 G CA -0.369 44.806 45.100 0.124 0.000 1.043 679 G HN 0.228 nan 8.290 nan 0.000 0.538 680 E N -0.798 119.409 120.200 0.012 0.000 2.209 680 E HA -0.140 4.213 4.350 0.005 0.000 0.196 680 E C 2.201 178.744 176.600 -0.095 0.000 0.993 680 E CA 0.884 57.253 56.400 -0.051 0.000 0.819 680 E CB 0.060 29.744 29.700 -0.025 0.000 0.745 680 E HN 0.493 nan 8.360 nan 0.000 0.477 681 K N 0.839 121.196 120.400 -0.072 0.000 2.103 681 K HA -0.189 4.134 4.320 0.005 0.000 0.207 681 K C 0.260 176.780 176.600 -0.134 0.000 1.048 681 K CA 1.035 57.272 56.287 -0.084 0.000 0.930 681 K CB 0.101 32.566 32.500 -0.058 0.000 0.716 681 K HN 0.033 nan 8.250 nan 0.000 0.444 682 Q N 1.198 120.891 119.800 -0.178 0.000 2.443 682 Q HA -0.201 4.142 4.340 0.005 0.000 0.337 682 Q C -0.983 174.891 176.000 -0.210 0.000 1.401 682 Q CA 0.602 56.247 55.803 -0.263 0.000 0.943 682 Q CB -1.322 27.198 28.738 -0.363 0.000 1.177 682 Q HN 0.446 nan 8.270 nan 0.000 0.394 683 E N 0.979 121.078 120.200 -0.168 0.000 2.316 683 E HA 0.069 4.423 4.350 0.005 0.000 0.275 683 E C -0.097 176.428 176.600 -0.125 0.000 1.029 683 E CA -0.398 55.935 56.400 -0.112 0.000 0.871 683 E CB 0.601 30.263 29.700 -0.062 0.000 1.022 683 E HN 0.192 nan 8.360 nan 0.000 0.418 684 N N 4.059 122.713 118.700 -0.076 0.000 2.807 684 N HA 0.123 4.866 4.740 0.005 0.000 0.259 684 N C -0.988 174.518 175.510 -0.007 0.000 1.149 684 N CA 0.102 53.128 53.050 -0.039 0.000 1.042 684 N CB 0.892 39.385 38.487 0.010 0.000 1.367 684 N HN 0.187 nan 8.380 nan 0.000 0.516 685 V N 2.485 122.404 119.914 0.007 0.000 3.147 685 V HA 0.612 4.735 4.120 0.005 0.000 0.306 685 V C -1.734 174.457 176.094 0.162 0.000 1.209 685 V CA -0.831 61.487 62.300 0.029 0.000 1.023 685 V CB 2.181 34.010 31.823 0.009 0.000 1.059 685 V HN 0.458 nan 8.190 nan 0.000 0.435 686 Y N 2.470 122.860 120.300 0.149 0.000 2.570 686 Y HA 0.848 5.401 4.550 0.005 0.000 0.345 686 Y C -1.581 174.493 175.900 0.291 0.000 1.014 686 Y CA -1.458 56.780 58.100 0.230 0.000 1.063 686 Y CB 1.217 39.919 38.460 0.403 0.000 1.272 686 Y HN 0.538 nan 8.280 nan 0.000 0.477 687 Y N 1.284 121.722 120.300 0.231 0.000 2.457 687 Y HA 0.468 5.021 4.550 0.005 0.000 0.333 687 Y C -1.087 175.087 175.900 0.457 0.000 1.119 687 Y CA -1.436 56.799 58.100 0.225 0.000 1.143 687 Y CB 1.622 40.110 38.460 0.048 0.000 1.230 687 Y HN 0.690 nan 8.280 nan 0.000 0.469 688 Y N 3.968 124.459 120.300 0.319 0.000 2.329 688 Y HA 0.636 5.189 4.550 0.005 0.000 0.328 688 Y C -1.567 174.488 175.900 0.259 0.000 0.992 688 Y CA -1.809 56.461 58.100 0.282 0.000 1.151 688 Y CB 0.562 39.160 38.460 0.230 0.000 1.150 688 Y HN 0.464 nan 8.280 nan 0.000 0.450 689 I N 6.175 126.645 120.570 -0.165 0.000 2.418 689 I HA 0.334 4.507 4.170 0.005 0.000 0.287 689 I C -0.345 175.485 176.117 -0.478 0.000 1.008 689 I CA -0.935 60.258 61.300 -0.177 0.000 1.104 689 I CB 2.244 40.293 38.000 0.081 0.000 1.264 689 I HN 0.623 nan 8.210 nan 0.000 0.438 690 T N 1.504 115.806 114.554 -0.420 0.000 2.856 690 T HA 0.584 4.937 4.350 0.005 0.000 0.292 690 T C 0.127 174.756 174.700 -0.119 0.000 0.980 690 T CA -0.606 61.312 62.100 -0.304 0.000 1.091 690 T CB 1.395 70.218 68.868 -0.075 0.000 0.936 690 T HN 0.715 nan 8.240 nan 0.000 0.503 691 T N 0.579 115.057 114.554 -0.127 0.000 2.907 691 T HA 0.766 5.119 4.350 0.005 0.000 0.290 691 T C -0.602 174.096 174.700 -0.004 0.000 1.066 691 T CA -1.103 60.962 62.100 -0.058 0.000 1.012 691 T CB 1.046 69.853 68.868 -0.101 0.000 1.184 691 T HN 0.574 nan 8.240 nan 0.000 0.522 692 L N 1.637 122.875 121.223 0.025 0.000 2.323 692 L HA 0.565 4.908 4.340 0.005 0.000 0.265 692 L C 0.731 177.628 176.870 0.045 0.000 1.012 692 L CA -1.179 53.686 54.840 0.042 0.000 0.820 692 L CB 1.713 43.808 42.059 0.060 0.000 1.334 692 L HN 0.891 nan 8.230 nan 0.000 0.427 693 N N -0.462 118.266 118.700 0.047 0.000 2.235 693 N HA 0.016 4.759 4.740 0.005 0.000 0.209 693 N C -0.198 175.324 175.510 0.019 0.000 1.122 693 N CA -0.175 52.900 53.050 0.041 0.000 0.845 693 N CB 0.458 38.964 38.487 0.032 0.000 1.004 693 N HN 0.696 nan 8.380 nan 0.000 0.499 694 E N 0.755 120.964 120.200 0.015 0.000 2.151 694 E HA 0.230 4.583 4.350 0.005 0.000 0.275 694 E C -1.013 175.527 176.600 -0.099 0.000 0.936 694 E CA -0.658 55.763 56.400 0.035 0.000 0.777 694 E CB 0.651 30.448 29.700 0.162 0.000 1.108 694 E HN 0.088 nan 8.360 nan 0.000 0.401 695 N N 3.299 121.972 118.700 -0.046 0.000 2.499 695 N HA 0.271 5.014 4.740 0.005 0.000 0.281 695 N C -1.133 174.382 175.510 0.009 0.000 1.098 695 N CA 0.045 53.027 53.050 -0.113 0.000 0.979 695 N CB 0.739 39.215 38.487 -0.019 0.000 1.121 695 N HN 0.399 nan 8.380 nan 0.000 0.466 696 Y N -2.545 117.809 120.300 0.090 0.000 2.725 696 Y HA 0.332 4.885 4.550 0.005 0.000 0.333 696 Y C -0.141 175.839 175.900 0.134 0.000 1.242 696 Y CA -1.236 56.932 58.100 0.112 0.000 1.059 696 Y CB 0.507 39.034 38.460 0.112 0.000 1.306 696 Y HN 0.437 nan 8.280 nan 0.000 0.454 697 H N 3.166 122.431 119.070 0.326 0.000 3.034 697 H HA 0.179 4.738 4.556 0.005 0.000 0.324 697 H C -0.871 174.602 175.328 0.242 0.000 1.015 697 H CA 0.470 56.639 56.048 0.201 0.000 1.429 697 H CB 0.693 30.527 29.762 0.120 0.000 1.429 697 H HN 0.544 nan 8.280 nan 0.000 0.585 698 M N 8.644 127.983 119.600 -0.435 0.000 2.036 698 M HA 0.234 4.717 4.480 0.005 0.000 0.337 698 M C -2.391 173.588 176.300 -0.534 0.000 1.012 698 M CA -2.170 52.948 55.300 -0.304 0.000 0.962 698 M CB 1.096 33.636 32.600 -0.100 0.000 1.423 698 M HN 0.489 nan 8.290 nan 0.000 0.405 699 P HA 0.287 nan 4.420 nan 0.000 0.274 699 P C -0.491 176.784 177.300 -0.042 0.000 1.256 699 P CA -0.358 62.605 63.100 -0.228 0.000 0.795 699 P CB 0.834 32.450 31.700 -0.141 0.000 1.038 700 A N 1.755 124.539 122.820 -0.060 0.000 2.351 700 A HA 0.340 4.664 4.320 0.005 0.000 0.257 700 A C 0.654 177.976 177.584 -0.438 0.000 1.087 700 A CA -0.598 51.362 52.037 -0.128 0.000 0.798 700 A CB -0.280 18.659 19.000 -0.103 0.000 1.033 700 A HN 0.702 nan 8.150 nan 0.000 0.488 701 M N 2.002 121.145 119.600 -0.762 0.000 2.239 701 M HA 0.246 4.729 4.480 0.005 0.000 0.348 701 M C -2.204 173.729 176.300 -0.612 0.000 1.239 701 M CA -1.324 53.149 55.300 -1.378 0.000 1.114 701 M CB 0.326 32.370 32.600 -0.926 0.000 1.641 701 M HN 0.337 nan 8.290 nan 0.000 0.453 702 P HA 0.047 nan 4.420 nan 0.000 0.271 702 P C -1.282 175.910 177.300 -0.179 0.000 1.216 702 P CA -0.134 62.849 63.100 -0.196 0.000 0.776 702 P CB 0.436 32.103 31.700 -0.055 0.000 0.881 703 E N 1.586 121.719 120.200 -0.111 0.000 2.414 703 E HA 0.194 4.548 4.350 0.005 0.000 0.263 703 E C 1.045 177.603 176.600 -0.070 0.000 1.000 703 E CA 0.766 57.114 56.400 -0.088 0.000 0.914 703 E CB -0.403 29.264 29.700 -0.056 0.000 0.948 703 E HN 0.746 nan 8.360 nan 0.000 0.444 704 G N 2.883 111.641 108.800 -0.070 0.000 2.162 704 G HA2 -0.367 3.596 3.960 0.005 0.000 0.260 704 G HA3 -0.367 3.596 3.960 0.005 0.000 0.260 704 G C 0.763 175.628 174.900 -0.059 0.000 0.976 704 G CA 0.525 45.598 45.100 -0.046 0.000 0.655 704 G HN 0.753 nan 8.290 nan 0.000 0.533 705 A N -0.253 122.487 122.820 -0.132 0.000 2.238 705 A HA 0.439 4.762 4.320 0.005 0.000 0.208 705 A C 1.822 179.277 177.584 -0.215 0.000 1.177 705 A CA 1.685 53.584 52.037 -0.230 0.000 0.804 705 A CB -0.201 18.501 19.000 -0.497 0.000 0.823 705 A HN 0.569 nan 8.150 nan 0.000 0.482 706 E N 0.294 120.424 120.200 -0.117 0.000 2.048 706 E HA -0.269 4.084 4.350 0.005 0.000 0.202 706 E C 1.884 178.474 176.600 -0.016 0.000 1.021 706 E CA 1.789 58.154 56.400 -0.058 0.000 0.825 706 E CB -0.232 29.453 29.700 -0.025 0.000 0.756 706 E HN 0.656 nan 8.360 nan 0.000 0.454 707 E N 0.063 120.271 120.200 0.012 0.000 2.110 707 E HA -0.107 4.246 4.350 0.005 0.000 0.193 707 E C 2.094 178.729 176.600 0.059 0.000 0.988 707 E CA 1.491 57.915 56.400 0.040 0.000 0.804 707 E CB -0.677 29.059 29.700 0.060 0.000 0.745 707 E HN 0.286 nan 8.360 nan 0.000 0.458 708 G N 0.444 109.312 108.800 0.113 0.000 2.422 708 G HA2 -0.229 3.734 3.960 0.005 0.000 0.218 708 G HA3 -0.229 3.734 3.960 0.005 0.000 0.218 708 G C 1.670 176.696 174.900 0.211 0.000 1.146 708 G CA 0.898 46.144 45.100 0.244 0.000 0.769 708 G HN 0.327 nan 8.290 nan 0.000 0.547 709 I N 0.109 120.730 120.570 0.085 0.000 2.286 709 I HA -0.156 4.017 4.170 0.005 0.000 0.248 709 I C 3.032 179.237 176.117 0.147 0.000 1.115 709 I CA 0.982 62.361 61.300 0.132 0.000 1.392 709 I CB -0.099 37.909 38.000 0.014 0.000 1.065 709 I HN 0.095 nan 8.210 nan 0.000 0.418 710 R N 0.420 120.972 120.500 0.087 0.000 2.090 710 R HA -0.077 4.266 4.340 0.005 0.000 0.228 710 R C 2.193 178.579 176.300 0.144 0.000 1.110 710 R CA 0.820 56.995 56.100 0.124 0.000 0.973 710 R CB -0.166 30.179 30.300 0.074 0.000 0.869 710 R HN 0.188 nan 8.270 nan 0.000 0.440 711 K N -0.814 119.554 120.400 -0.053 0.000 2.217 711 K HA 0.023 4.346 4.320 0.005 0.000 0.202 711 K C 1.349 177.821 176.600 -0.214 0.000 1.051 711 K CA 1.324 57.411 56.287 -0.333 0.000 0.952 711 K CB 0.471 32.361 32.500 -1.016 0.000 0.736 711 K HN 0.492 nan 8.250 nan 0.000 0.453 712 G N 0.855 109.659 108.800 0.006 0.000 2.421 712 G HA2 -0.123 3.840 3.960 0.005 0.000 0.188 712 G HA3 -0.123 3.840 3.960 0.005 0.000 0.188 712 G C 0.092 175.010 174.900 0.030 0.000 1.001 712 G CA -0.106 44.998 45.100 0.006 0.000 0.693 712 G HN 0.268 nan 8.290 nan 0.000 0.479 713 I N 0.059 120.738 120.570 0.183 0.000 2.882 713 I HA 0.639 4.813 4.170 0.005 0.000 0.298 713 I C -1.718 174.644 176.117 0.409 0.000 1.462 713 I CA -1.468 59.944 61.300 0.187 0.000 1.000 713 I CB 1.976 39.992 38.000 0.026 0.000 1.340 713 I HN 0.507 nan 8.210 nan 0.000 0.462 714 Y N 3.499 123.933 120.300 0.224 0.000 2.604 714 Y HA 0.470 5.023 4.550 0.005 0.000 0.331 714 Y C -1.633 174.410 175.900 0.239 0.000 1.158 714 Y CA -1.332 56.906 58.100 0.231 0.000 1.056 714 Y CB 0.795 39.370 38.460 0.191 0.000 1.330 714 Y HN 0.498 nan 8.280 nan 0.000 0.457 715 K N 2.826 123.323 120.400 0.161 0.000 2.312 715 K HA 0.372 4.695 4.320 0.005 0.000 0.287 715 K C -0.051 176.510 176.600 -0.066 0.000 1.062 715 K CA -0.306 55.893 56.287 -0.146 0.000 0.934 715 K CB 0.682 33.089 32.500 -0.156 0.000 1.027 715 K HN 0.985 nan 8.250 nan 0.000 0.478 716 L N 3.048 124.166 121.223 -0.176 0.000 2.068 716 L HA -0.039 4.304 4.340 0.005 0.000 0.204 716 L C 0.678 177.547 176.870 -0.002 0.000 1.076 716 L CA 1.163 56.006 54.840 0.005 0.000 0.753 716 L CB 0.038 42.103 42.059 0.011 0.000 0.910 716 L HN 0.802 nan 8.230 nan 0.000 0.439 717 E N -1.800 118.346 120.200 -0.090 0.000 2.422 717 E HA 0.245 4.598 4.350 0.005 0.000 0.280 717 E C -1.074 175.459 176.600 -0.110 0.000 1.091 717 E CA -0.766 55.595 56.400 -0.065 0.000 0.849 717 E CB 1.508 31.197 29.700 -0.018 0.000 1.353 717 E HN -0.114 nan 8.360 nan 0.000 0.449 718 T N -0.191 114.322 114.554 -0.068 0.000 2.881 718 T HA 0.651 5.004 4.350 0.005 0.000 0.290 718 T C -0.565 174.121 174.700 -0.025 0.000 1.000 718 T CA -0.715 61.349 62.100 -0.060 0.000 0.978 718 T CB 0.455 69.293 68.868 -0.050 0.000 0.997 718 T HN 0.466 nan 8.240 nan 0.000 0.443 719 I N 2.966 123.529 120.570 -0.012 0.000 2.377 719 I HA 0.425 4.598 4.170 0.005 0.000 0.293 719 I C 0.484 176.609 176.117 0.012 0.000 0.987 719 I CA -1.056 60.246 61.300 0.004 0.000 1.185 719 I CB 1.588 39.596 38.000 0.013 0.000 1.341 719 I HN 0.557 nan 8.210 nan 0.000 0.455 720 E N 3.453 123.661 120.200 0.014 0.000 2.374 720 E HA 0.627 4.980 4.350 0.005 0.000 0.260 720 E C -0.015 176.600 176.600 0.026 0.000 1.101 720 E CA -0.123 56.288 56.400 0.018 0.000 0.907 720 E CB 1.657 31.365 29.700 0.014 0.000 1.014 720 E HN 0.849 nan 8.360 nan 0.000 0.427 721 G N -0.322 108.495 108.800 0.028 0.000 2.405 721 G HA2 0.126 4.089 3.960 0.005 0.000 0.312 721 G HA3 0.126 4.089 3.960 0.005 0.000 0.312 721 G C 0.081 175.001 174.900 0.034 0.000 1.579 721 G CA 0.079 45.201 45.100 0.036 0.000 0.933 721 G HN 0.367 nan 8.290 nan 0.000 0.628 722 S N 0.884 116.603 115.700 0.032 0.000 2.593 722 S HA 0.098 4.571 4.470 0.005 0.000 0.217 722 S C 1.383 176.003 174.600 0.033 0.000 0.966 722 S CA 0.371 58.588 58.200 0.029 0.000 0.914 722 S CB 0.100 63.314 63.200 0.023 0.000 0.776 722 S HN 0.375 nan 8.310 nan 0.000 0.523 723 K N 0.970 121.396 120.400 0.044 0.000 2.361 723 K HA 0.401 4.724 4.320 0.005 0.000 0.194 723 K C 1.022 177.649 176.600 0.045 0.000 1.032 723 K CA 0.639 56.955 56.287 0.048 0.000 1.048 723 K CB 0.497 33.038 32.500 0.067 0.000 0.842 723 K HN 0.505 nan 8.250 nan 0.000 0.526 724 G N 0.588 109.415 108.800 0.044 0.000 2.328 724 G HA2 0.310 4.274 3.960 0.005 0.000 0.295 724 G HA3 0.310 4.274 3.960 0.005 0.000 0.295 724 G C -1.922 173.002 174.900 0.041 0.000 1.413 724 G CA -0.791 44.333 45.100 0.039 0.000 0.817 724 G HN -0.042 nan 8.290 nan 0.000 0.546 725 K N -0.673 119.750 120.400 0.039 0.000 2.501 725 K HA 0.740 5.064 4.320 0.005 0.000 0.252 725 K C -0.525 176.104 176.600 0.049 0.000 0.934 725 K CA -0.720 55.593 56.287 0.043 0.000 0.797 725 K CB 2.453 34.977 32.500 0.041 0.000 1.270 725 K HN 1.168 nan 8.250 nan 0.000 0.431 726 V N -0.767 119.182 119.914 0.059 0.000 3.158 726 V HA 0.597 4.720 4.120 0.005 0.000 0.311 726 V C -1.340 174.817 176.094 0.105 0.000 1.181 726 V CA -0.974 61.370 62.300 0.072 0.000 1.054 726 V CB 1.926 33.785 31.823 0.060 0.000 1.085 726 V HN 0.821 nan 8.190 nan 0.000 0.446 727 Q N 0.853 120.738 119.800 0.141 0.000 2.353 727 Q HA 0.766 5.109 4.340 0.005 0.000 0.268 727 Q C -1.635 174.494 176.000 0.215 0.000 1.045 727 Q CA -0.623 55.324 55.803 0.240 0.000 0.811 727 Q CB 2.658 31.549 28.738 0.255 0.000 1.305 727 Q HN 0.701 nan 8.270 nan 0.000 0.447 728 L N 3.459 124.835 121.223 0.255 0.000 2.406 728 L HA 0.536 4.879 4.340 0.005 0.000 0.272 728 L C -1.353 175.671 176.870 0.256 0.000 0.980 728 L CA -0.808 54.146 54.840 0.190 0.000 0.831 728 L CB 1.345 43.473 42.059 0.114 0.000 1.253 728 L HN 0.340 nan 8.230 nan 0.000 0.406 729 L N 2.438 123.794 121.223 0.221 0.000 2.362 729 L HA 0.954 5.297 4.340 0.005 0.000 0.271 729 L C 0.318 177.295 176.870 0.178 0.000 1.002 729 L CA -0.132 54.838 54.840 0.217 0.000 0.818 729 L CB 2.051 44.258 42.059 0.245 0.000 1.298 729 L HN 0.620 nan 8.230 nan 0.000 0.420 730 G N 0.069 108.942 108.800 0.122 0.000 2.690 730 G HA2 0.745 4.708 3.960 0.005 0.000 0.291 730 G HA3 0.745 4.708 3.960 0.005 0.000 0.291 730 G C -1.559 173.390 174.900 0.082 0.000 1.403 730 G CA -0.230 44.942 45.100 0.120 0.000 0.864 730 G HN 0.692 nan 8.290 nan 0.000 0.480 731 S N -0.962 114.820 115.700 0.137 0.000 2.607 731 S HA 0.860 5.333 4.470 0.005 0.000 0.273 731 S C 0.757 175.430 174.600 0.122 0.000 1.148 731 S CA 0.748 59.014 58.200 0.111 0.000 0.833 731 S CB 1.307 64.638 63.200 0.218 0.000 1.130 731 S HN 2.729 nan 8.310 nan 0.000 0.470 732 G N 2.147 111.000 108.800 0.088 0.000 2.581 732 G HA2 -0.332 3.631 3.960 0.005 0.000 0.291 732 G HA3 -0.332 3.631 3.960 0.005 0.000 0.291 732 G C 1.071 176.022 174.900 0.084 0.000 1.277 732 G CA 1.431 46.600 45.100 0.115 0.000 0.959 732 G HN 2.235 nan 8.290 nan 0.000 0.554 733 S N -0.578 115.209 115.700 0.144 0.000 2.474 733 S HA 0.057 4.530 4.470 0.005 0.000 0.235 733 S C 2.113 176.786 174.600 0.121 0.000 0.997 733 S CA 1.587 59.883 58.200 0.161 0.000 0.949 733 S CB 0.035 63.366 63.200 0.218 0.000 0.766 733 S HN 0.568 nan 8.310 nan 0.000 0.517 734 I N 1.034 121.677 120.570 0.122 0.000 3.226 734 I HA 0.141 4.314 4.170 0.005 0.000 0.277 734 I C 2.072 178.259 176.117 0.117 0.000 1.243 734 I CA 0.243 61.651 61.300 0.179 0.000 1.459 734 I CB -1.139 36.921 38.000 0.099 0.000 1.093 734 I HN 0.334 nan 8.210 nan 0.000 0.453 735 L N 2.389 123.613 121.223 0.002 0.000 2.043 735 L HA -0.213 4.131 4.340 0.005 0.000 0.212 735 L C 2.814 179.629 176.870 -0.091 0.000 1.075 735 L CA 1.964 56.770 54.840 -0.057 0.000 0.752 735 L CB -0.686 41.269 42.059 -0.175 0.000 0.891 735 L HN 0.320 nan 8.230 nan 0.000 0.432 736 R N -2.001 118.361 120.500 -0.231 0.000 2.193 736 R HA -0.170 4.173 4.340 0.005 0.000 0.229 736 R C 1.873 177.985 176.300 -0.313 0.000 1.110 736 R CA 1.641 57.567 56.100 -0.290 0.000 0.988 736 R CB -0.926 29.065 30.300 -0.515 0.000 0.871 736 R HN 0.544 nan 8.270 nan 0.000 0.458 737 H N 0.090 119.123 119.070 -0.061 0.000 2.448 737 H HA 0.058 4.617 4.556 0.005 0.000 0.292 737 H C 2.200 177.525 175.328 -0.007 0.000 1.035 737 H CA 1.344 57.378 56.048 -0.023 0.000 1.349 737 H CB 0.317 30.072 29.762 -0.012 0.000 1.425 737 H HN 0.075 nan 8.280 nan 0.000 0.539 738 V N 1.326 121.294 119.914 0.090 0.000 2.427 738 V HA -0.197 3.926 4.120 0.005 0.000 0.248 738 V C 2.462 178.581 176.094 0.043 0.000 1.051 738 V CA 1.390 63.731 62.300 0.068 0.000 1.048 738 V CB -0.310 31.555 31.823 0.071 0.000 0.666 738 V HN 0.330 nan 8.190 nan 0.000 0.456 739 R N 0.019 120.532 120.500 0.021 0.000 2.092 739 R HA -0.194 4.149 4.340 0.005 0.000 0.231 739 R C 2.344 178.654 176.300 0.017 0.000 1.119 739 R CA 1.617 57.730 56.100 0.022 0.000 0.970 739 R CB -0.295 30.023 30.300 0.030 0.000 0.864 739 R HN 0.688 nan 8.270 nan 0.000 0.440 740 E N 1.108 121.309 120.200 0.001 0.000 2.077 740 E HA -0.189 4.165 4.350 0.005 0.000 0.193 740 E C 1.925 178.542 176.600 0.029 0.000 0.989 740 E CA 1.227 57.633 56.400 0.009 0.000 0.800 740 E CB -0.045 29.656 29.700 0.002 0.000 0.746 740 E HN 0.333 nan 8.360 nan 0.000 0.452 741 A N 1.263 124.102 122.820 0.031 0.000 1.933 741 A HA -0.086 4.237 4.320 0.005 0.000 0.218 741 A C 2.438 180.054 177.584 0.053 0.000 1.175 741 A CA 1.780 53.835 52.037 0.029 0.000 0.628 741 A CB -0.835 18.178 19.000 0.023 0.000 0.814 741 A HN 0.450 nan 8.150 nan 0.000 0.444 742 A N -0.325 122.524 122.820 0.048 0.000 1.908 742 A HA -0.170 4.154 4.320 0.005 0.000 0.218 742 A C 1.957 179.577 177.584 0.060 0.000 1.181 742 A CA 1.771 53.839 52.037 0.051 0.000 0.627 742 A CB -0.427 18.595 19.000 0.036 0.000 0.818 742 A HN 0.458 nan 8.150 nan 0.000 0.445 743 E N 0.004 120.236 120.200 0.053 0.000 2.077 743 E HA -0.137 4.216 4.350 0.005 0.000 0.193 743 E C 2.019 178.666 176.600 0.078 0.000 0.989 743 E CA 1.072 57.504 56.400 0.053 0.000 0.800 743 E CB -0.456 29.268 29.700 0.039 0.000 0.746 743 E HN 0.739 nan 8.360 nan 0.000 0.452 744 I N 0.850 121.480 120.570 0.101 0.000 2.179 744 I HA -0.285 3.888 4.170 0.005 0.000 0.242 744 I C 2.525 178.782 176.117 0.233 0.000 1.088 744 I CA 0.914 62.312 61.300 0.163 0.000 1.357 744 I CB -0.334 37.787 38.000 0.201 0.000 1.051 744 I HN 0.045 nan 8.210 nan 0.000 0.409 745 L N 0.500 121.855 121.223 0.220 0.000 2.079 745 L HA -0.247 4.096 4.340 0.005 0.000 0.210 745 L C 2.792 179.789 176.870 0.212 0.000 1.081 745 L CA 1.505 56.502 54.840 0.262 0.000 0.752 745 L CB -0.641 41.502 42.059 0.140 0.000 0.896 745 L HN 0.276 nan 8.230 nan 0.000 0.433 746 A N -0.321 122.576 122.820 0.128 0.000 1.854 746 A HA -0.137 4.186 4.320 0.005 0.000 0.214 746 A C 2.269 179.892 177.584 0.066 0.000 1.192 746 A CA 1.259 53.348 52.037 0.087 0.000 0.611 746 A CB -0.195 18.839 19.000 0.057 0.000 0.832 746 A HN 0.198 nan 8.150 nan 0.000 0.442 747 K N -0.076 120.354 120.400 0.051 0.000 2.167 747 K HA -0.022 4.302 4.320 0.005 0.000 0.203 747 K C 0.761 177.335 176.600 -0.044 0.000 1.052 747 K CA 1.268 57.562 56.287 0.011 0.000 0.956 747 K CB -0.336 32.172 32.500 0.013 0.000 0.735 747 K HN 0.410 nan 8.250 nan 0.000 0.451 748 D N -0.912 119.439 120.400 -0.081 0.000 2.338 748 D HA 0.021 4.664 4.640 0.005 0.000 0.208 748 D C 0.969 176.921 176.300 -0.580 0.000 0.997 748 D CA 0.691 54.476 54.000 -0.358 0.000 0.880 748 D CB 0.183 40.680 40.800 -0.506 0.000 0.980 748 D HN 0.229 nan 8.370 nan 0.000 0.509 749 Y N -1.027 119.298 120.300 0.041 0.000 2.527 749 Y HA 0.332 4.886 4.550 0.005 0.000 0.247 749 Y C 1.587 177.503 175.900 0.028 0.000 1.138 749 Y CA -0.036 58.085 58.100 0.034 0.000 1.228 749 Y CB 1.128 39.615 38.460 0.046 0.000 1.252 749 Y HN -0.042 nan 8.280 nan 0.000 0.531 750 G N 1.062 109.939 108.800 0.128 0.000 2.160 750 G HA2 -0.269 3.695 3.960 0.005 0.000 0.251 750 G HA3 -0.269 3.695 3.960 0.005 0.000 0.251 750 G C -0.294 174.663 174.900 0.095 0.000 1.008 750 G CA 0.340 45.493 45.100 0.088 0.000 0.724 750 G HN 0.131 nan 8.290 nan 0.000 0.514 751 V N 0.904 120.892 119.914 0.124 0.000 2.364 751 V HA 0.687 4.810 4.120 0.005 0.000 0.272 751 V C 1.256 177.394 176.094 0.075 0.000 1.036 751 V CA 0.008 62.364 62.300 0.094 0.000 0.880 751 V CB 1.179 33.060 31.823 0.096 0.000 0.991 751 V HN 0.626 nan 8.190 nan 0.000 0.460 752 G N 3.738 112.571 108.800 0.055 0.000 2.580 752 G HA2 0.668 4.631 3.960 0.005 0.000 0.278 752 G HA3 0.668 4.631 3.960 0.005 0.000 0.278 752 G C -0.201 174.724 174.900 0.043 0.000 1.212 752 G CA 0.195 45.321 45.100 0.044 0.000 0.939 752 G HN 1.029 nan 8.290 nan 0.000 0.513 753 S N -0.939 114.779 115.700 0.031 0.000 2.587 753 S HA 0.480 4.954 4.470 0.005 0.000 0.269 753 S C -2.050 172.547 174.600 -0.005 0.000 1.154 753 S CA -1.016 57.203 58.200 0.031 0.000 0.824 753 S CB 2.321 65.545 63.200 0.041 0.000 1.118 753 S HN 0.410 nan 8.310 nan 0.000 0.462 754 D N 1.083 121.477 120.400 -0.010 0.000 2.256 754 D HA 0.574 5.217 4.640 0.005 0.000 0.240 754 D C -0.805 175.356 176.300 -0.232 0.000 1.062 754 D CA -0.213 53.691 54.000 -0.160 0.000 0.832 754 D CB 1.946 42.688 40.800 -0.098 0.000 1.135 754 D HN 0.427 nan 8.370 nan 0.000 0.484 755 V N 3.447 123.149 119.914 -0.353 0.000 2.417 755 V HA 0.338 4.461 4.120 0.005 0.000 0.291 755 V C -0.853 174.990 176.094 -0.418 0.000 1.024 755 V CA -0.687 61.483 62.300 -0.217 0.000 0.861 755 V CB 0.650 32.420 31.823 -0.088 0.000 0.985 755 V HN 0.359 nan 8.190 nan 0.000 0.436 756 Y N 1.787 122.049 120.300 -0.065 0.000 2.429 756 Y HA 0.590 5.144 4.550 0.005 0.000 0.342 756 Y C 0.516 176.282 175.900 -0.224 0.000 1.004 756 Y CA -0.757 57.245 58.100 -0.163 0.000 1.075 756 Y CB 2.102 40.486 38.460 -0.127 0.000 1.214 756 Y HN 0.531 nan 8.280 nan 0.000 0.455 757 S N 1.778 117.300 115.700 -0.295 0.000 2.457 757 S HA 0.607 5.080 4.470 0.005 0.000 0.289 757 S C -1.138 173.324 174.600 -0.229 0.000 1.163 757 S CA -0.577 57.456 58.200 -0.278 0.000 1.078 757 S CB 0.226 63.208 63.200 -0.364 0.000 0.987 757 S HN 0.445 nan 8.310 nan 0.000 0.482 758 V N 6.101 125.901 119.914 -0.191 0.000 2.294 758 V HA 0.241 4.364 4.120 0.005 0.000 0.272 758 V C 1.441 177.428 176.094 -0.179 0.000 1.027 758 V CA -0.269 61.837 62.300 -0.325 0.000 0.823 758 V CB 0.434 31.752 31.823 -0.841 0.000 1.030 758 V HN 1.080 nan 8.190 nan 0.000 0.457 759 T N -0.218 114.332 114.554 -0.006 0.000 3.023 759 T HA 0.012 4.365 4.350 0.005 0.000 0.266 759 T C 0.860 175.645 174.700 0.142 0.000 1.093 759 T CA 0.802 62.992 62.100 0.150 0.000 1.129 759 T CB 0.218 69.269 68.868 0.305 0.000 0.899 759 T HN 0.586 nan 8.240 nan 0.000 0.491 760 S N -0.404 115.247 115.700 -0.082 0.000 2.387 760 S HA 0.424 4.898 4.470 0.005 0.000 0.211 760 S C -0.187 174.225 174.600 -0.312 0.000 1.055 760 S CA -0.815 57.249 58.200 -0.226 0.000 1.133 760 S CB -0.428 62.460 63.200 -0.520 0.000 1.235 760 S HN 0.148 nan 8.310 nan 0.000 0.425 761 F N 2.401 122.100 119.950 -0.419 0.000 2.161 761 F HA -0.052 4.478 4.527 0.005 0.000 0.300 761 F C 2.636 178.230 175.800 -0.344 0.000 1.089 761 F CA 1.887 59.586 58.000 -0.501 0.000 1.282 761 F CB -0.387 37.998 39.000 -1.024 0.000 1.010 761 F HN 0.500 nan 8.300 nan 0.000 0.485 762 T N -1.003 113.494 114.554 -0.095 0.000 2.777 762 T HA -0.134 4.219 4.350 0.005 0.000 0.266 762 T C 1.842 176.469 174.700 -0.121 0.000 1.040 762 T CA 1.242 63.311 62.100 -0.052 0.000 1.141 762 T CB -0.131 68.749 68.868 0.019 0.000 0.868 762 T HN 0.116 nan 8.240 nan 0.000 0.444 763 E N 1.024 121.099 120.200 -0.207 0.000 2.152 763 E HA 0.056 4.409 4.350 0.005 0.000 0.192 763 E C 2.254 178.746 176.600 -0.179 0.000 0.983 763 E CA 0.515 56.778 56.400 -0.228 0.000 0.818 763 E CB -0.307 29.197 29.700 -0.327 0.000 0.758 763 E HN 0.471 nan 8.360 nan 0.000 0.467 764 L N 0.297 121.426 121.223 -0.156 0.000 2.056 764 L HA -0.117 4.227 4.340 0.005 0.000 0.207 764 L C 2.512 179.309 176.870 -0.123 0.000 1.078 764 L CA 1.069 55.841 54.840 -0.113 0.000 0.749 764 L CB -0.485 41.524 42.059 -0.084 0.000 0.901 764 L HN 0.044 nan 8.230 nan 0.000 0.433 765 A N 0.255 123.033 122.820 -0.069 0.000 1.877 765 A HA -0.211 4.112 4.320 0.005 0.000 0.216 765 A C 2.384 179.869 177.584 -0.166 0.000 1.186 765 A CA 1.528 53.538 52.037 -0.044 0.000 0.620 765 A CB -0.472 18.559 19.000 0.051 0.000 0.822 765 A HN 0.299 nan 8.150 nan 0.000 0.443 766 R N -0.374 120.048 120.500 -0.130 0.000 2.081 766 R HA -0.149 4.194 4.340 0.005 0.000 0.235 766 R C 2.133 178.322 176.300 -0.184 0.000 1.131 766 R CA 1.507 57.528 56.100 -0.132 0.000 0.960 766 R CB -0.464 29.768 30.300 -0.113 0.000 0.856 766 R HN 0.763 nan 8.270 nan 0.000 0.436 767 D N -0.150 120.129 120.400 -0.202 0.000 2.104 767 D HA -0.141 4.502 4.640 0.005 0.000 0.194 767 D C 1.839 177.958 176.300 -0.302 0.000 0.994 767 D CA 1.623 55.504 54.000 -0.198 0.000 0.830 767 D CB -0.123 40.587 40.800 -0.150 0.000 0.959 767 D HN 0.305 nan 8.370 nan 0.000 0.452 768 G N 0.369 108.831 108.800 -0.565 0.000 2.421 768 G HA2 -0.288 3.675 3.960 0.005 0.000 0.216 768 G HA3 -0.288 3.675 3.960 0.005 0.000 0.216 768 G C 1.712 176.072 174.900 -0.900 0.000 1.171 768 G CA 0.782 45.197 45.100 -1.142 0.000 0.775 768 G HN 0.395 nan 8.290 nan 0.000 0.543 769 Q N 0.216 119.655 119.800 -0.602 0.000 2.096 769 Q HA -0.111 4.232 4.340 0.005 0.000 0.204 769 Q C 2.175 178.143 176.000 -0.053 0.000 0.982 769 Q CA 1.439 57.161 55.803 -0.135 0.000 0.850 769 Q CB -0.107 28.613 28.738 -0.031 0.000 0.901 769 Q HN 0.373 nan 8.270 nan 0.000 0.422 770 D N -0.027 120.323 120.400 -0.084 0.000 2.144 770 D HA -0.109 4.534 4.640 0.005 0.000 0.200 770 D C 1.893 178.223 176.300 0.051 0.000 0.978 770 D CA 0.765 54.762 54.000 -0.004 0.000 0.833 770 D CB -0.366 40.414 40.800 -0.033 0.000 0.961 770 D HN 0.268 nan 8.370 nan 0.000 0.470 771 C N 1.137 120.429 119.300 -0.013 0.000 2.446 771 C HA -0.051 4.412 4.460 0.005 0.000 0.277 771 C C 2.452 177.540 174.990 0.164 0.000 1.275 771 C CA 0.464 59.512 59.018 0.051 0.000 1.727 771 C CB -0.425 27.305 27.740 -0.016 0.000 2.010 771 C HN 0.303 nan 8.230 nan 0.000 0.486 772 E N 0.500 120.780 120.200 0.133 0.000 2.216 772 E HA -0.111 4.243 4.350 0.005 0.000 0.192 772 E C 2.177 178.873 176.600 0.160 0.000 0.988 772 E CA 0.506 57.009 56.400 0.172 0.000 0.834 772 E CB -0.507 29.320 29.700 0.212 0.000 0.772 772 E HN 0.663 nan 8.360 nan 0.000 0.479 773 R N -0.264 120.327 120.500 0.151 0.000 2.070 773 R HA -0.162 4.181 4.340 0.005 0.000 0.233 773 R C 2.151 178.556 176.300 0.175 0.000 1.137 773 R CA 1.579 57.756 56.100 0.129 0.000 0.945 773 R CB -0.580 29.787 30.300 0.112 0.000 0.845 773 R HN 0.208 nan 8.270 nan 0.000 0.430 774 W N 2.179 123.528 121.300 0.082 0.000 2.338 774 W HA -0.168 4.496 4.660 0.005 0.000 0.304 774 W C 1.626 178.279 176.519 0.223 0.000 1.212 774 W CA 1.844 59.286 57.345 0.161 0.000 1.264 774 W CB -0.175 29.312 29.460 0.045 0.000 1.142 774 W HN 0.221 nan 8.180 nan 0.000 0.512 775 N N 0.089 119.023 118.700 0.391 0.000 2.120 775 N HA -0.244 4.499 4.740 0.005 0.000 0.188 775 N C 1.785 177.318 175.510 0.037 0.000 1.024 775 N CA 2.018 55.210 53.050 0.237 0.000 0.852 775 N CB -1.177 37.454 38.487 0.241 0.000 1.003 775 N HN 0.354 nan 8.380 nan 0.000 0.424 776 M N 0.265 119.884 119.600 0.031 0.000 2.159 776 M HA -0.075 4.408 4.480 0.005 0.000 0.263 776 M C 1.213 177.436 176.300 -0.127 0.000 1.063 776 M CA 1.419 56.702 55.300 -0.028 0.000 1.110 776 M CB 0.033 32.630 32.600 -0.004 0.000 1.374 776 M HN 0.034 nan 8.290 nan 0.000 0.411 777 L N -1.003 120.093 121.223 -0.211 0.000 2.509 777 L HA -0.017 4.326 4.340 0.005 0.000 0.222 777 L C 0.138 176.498 176.870 -0.850 0.000 1.123 777 L CA 0.275 54.842 54.840 -0.455 0.000 0.856 777 L CB -0.257 41.522 42.059 -0.466 0.000 0.985 777 L HN 0.374 nan 8.230 nan 0.000 0.456 778 H N -1.279 117.473 119.070 -0.530 0.000 2.439 778 H HA 0.156 4.715 4.556 0.005 0.000 0.230 778 H C -1.687 173.456 175.328 -0.308 0.000 1.420 778 H CA -1.417 54.294 56.048 -0.561 0.000 1.305 778 H CB 0.207 29.252 29.762 -1.195 0.000 1.667 778 H HN -0.081 nan 8.280 nan 0.000 0.515 779 P HA -0.158 nan 4.420 nan 0.000 0.223 779 P C 0.707 177.996 177.300 -0.018 0.000 1.144 779 P CA 0.853 63.919 63.100 -0.058 0.000 0.783 779 P CB 0.586 32.246 31.700 -0.066 0.000 0.771 780 L N -0.977 120.236 121.223 -0.017 0.000 2.554 780 L HA 0.188 4.532 4.340 0.005 0.000 0.225 780 L C 1.418 178.318 176.870 0.050 0.000 1.104 780 L CA 0.740 55.587 54.840 0.013 0.000 0.866 780 L CB -0.694 41.368 42.059 0.005 0.000 1.047 780 L HN -0.029 nan 8.230 nan 0.000 0.468 781 E N -1.084 119.163 120.200 0.079 0.000 2.267 781 E HA 0.275 4.628 4.350 0.005 0.000 0.258 781 E C -0.174 176.544 176.600 0.196 0.000 1.074 781 E CA -0.665 55.829 56.400 0.157 0.000 0.915 781 E CB 0.546 30.402 29.700 0.259 0.000 1.186 781 E HN -0.131 nan 8.360 nan 0.000 0.439 782 T N 3.778 118.452 114.554 0.200 0.000 2.758 782 T HA 0.081 4.434 4.350 0.005 0.000 0.281 782 T C -2.229 172.609 174.700 0.229 0.000 0.963 782 T CA -0.856 61.335 62.100 0.152 0.000 1.201 782 T CB -0.238 68.683 68.868 0.088 0.000 0.906 782 T HN 0.162 nan 8.240 nan 0.000 0.528 783 P HA 0.209 nan 4.420 nan 0.000 0.271 783 P C 0.114 177.486 177.300 0.120 0.000 1.216 783 P CA -0.368 62.867 63.100 0.225 0.000 0.776 783 P CB 0.598 32.386 31.700 0.146 0.000 0.881 784 R N 1.241 121.807 120.500 0.109 0.000 2.441 784 R HA 0.394 4.737 4.340 0.005 0.000 0.284 784 R C -0.627 175.677 176.300 0.007 0.000 1.070 784 R CA -0.722 55.355 56.100 -0.039 0.000 1.047 784 R CB 0.647 30.858 30.300 -0.150 0.000 1.016 784 R HN 0.255 nan 8.270 nan 0.000 0.477 785 V N 5.143 125.043 119.914 -0.024 0.000 2.394 785 V HA 0.239 4.363 4.120 0.005 0.000 0.282 785 V C -2.068 174.014 176.094 -0.019 0.000 1.031 785 V CA -2.289 60.005 62.300 -0.010 0.000 0.881 785 V CB 1.464 33.273 31.823 -0.024 0.000 0.982 785 V HN 0.658 nan 8.190 nan 0.000 0.451 786 P HA 0.018 nan 4.420 nan 0.000 0.265 786 P C 0.340 177.639 177.300 -0.002 0.000 1.193 786 P CA 0.171 63.257 63.100 -0.023 0.000 0.765 786 P CB 0.366 32.062 31.700 -0.006 0.000 0.823 787 Y N 4.036 124.281 120.300 -0.092 0.000 2.102 787 Y HA -0.256 4.297 4.550 0.005 0.000 0.280 787 Y C 2.027 177.889 175.900 -0.064 0.000 1.178 787 Y CA 1.600 59.659 58.100 -0.069 0.000 1.146 787 Y CB -0.526 37.892 38.460 -0.071 0.000 0.968 787 Y HN 0.330 nan 8.280 nan 0.000 0.504 788 I N -0.264 120.334 120.570 0.048 0.000 2.423 788 I HA -0.299 3.875 4.170 0.005 0.000 0.254 788 I C 2.161 178.196 176.117 -0.137 0.000 1.151 788 I CA 1.543 62.812 61.300 -0.053 0.000 1.421 788 I CB -0.284 37.691 38.000 -0.041 0.000 1.079 788 I HN 0.335 nan 8.210 nan 0.000 0.431 789 A N -0.516 122.245 122.820 -0.098 0.000 2.167 789 A HA -0.099 4.224 4.320 0.005 0.000 0.214 789 A C 2.007 179.518 177.584 -0.122 0.000 1.151 789 A CA 0.717 52.698 52.037 -0.094 0.000 0.735 789 A CB -0.293 18.683 19.000 -0.039 0.000 0.802 789 A HN 0.611 nan 8.150 nan 0.000 0.467 790 Q N -0.972 118.709 119.800 -0.198 0.000 2.360 790 Q HA 0.133 4.476 4.340 0.005 0.000 0.202 790 Q C 1.174 177.038 176.000 -0.227 0.000 0.915 790 Q CA 0.483 56.154 55.803 -0.220 0.000 0.943 790 Q CB 0.498 29.049 28.738 -0.312 0.000 1.064 790 Q HN 0.495 nan 8.270 nan 0.000 0.511 791 V N -0.448 119.334 119.914 -0.221 0.000 3.013 791 V HA 0.120 4.243 4.120 0.005 0.000 0.238 791 V C 0.875 176.958 176.094 -0.018 0.000 1.161 791 V CA 0.573 62.810 62.300 -0.105 0.000 1.170 791 V CB 0.311 32.069 31.823 -0.108 0.000 0.917 791 V HN 0.242 nan 8.190 nan 0.000 0.478 792 M N 1.470 120.969 119.600 -0.167 0.000 2.283 792 M HA 0.325 4.808 4.480 0.005 0.000 0.314 792 M C 0.243 176.514 176.300 -0.048 0.000 1.153 792 M CA 0.009 55.197 55.300 -0.187 0.000 1.084 792 M CB 0.943 33.338 32.600 -0.342 0.000 1.468 792 M HN 0.514 nan 8.290 nan 0.000 0.474 793 N N -0.524 118.183 118.700 0.011 0.000 3.124 793 N HA 0.297 5.040 4.740 0.005 0.000 0.350 793 N C -0.438 175.075 175.510 0.005 0.000 1.411 793 N CA -0.674 52.388 53.050 0.019 0.000 0.729 793 N CB 0.246 38.765 38.487 0.054 0.000 1.379 793 N HN 0.614 nan 8.380 nan 0.000 0.599 794 D N -1.653 118.756 120.400 0.015 0.000 2.340 794 D HA 0.202 4.845 4.640 0.005 0.000 0.217 794 D C -0.024 176.291 176.300 0.025 0.000 1.081 794 D CA -0.436 53.570 54.000 0.011 0.000 0.842 794 D CB -0.448 40.356 40.800 0.006 0.000 0.934 794 D HN 0.634 nan 8.370 nan 0.000 0.511 795 A N 2.022 124.868 122.820 0.042 0.000 2.386 795 A HA 0.411 4.734 4.320 0.005 0.000 0.248 795 A C -2.142 175.478 177.584 0.059 0.000 1.082 795 A CA -1.091 50.976 52.037 0.050 0.000 0.789 795 A CB -0.184 18.853 19.000 0.061 0.000 1.025 795 A HN 0.082 nan 8.150 nan 0.000 0.490 796 P HA 0.203 nan 4.420 nan 0.000 0.262 796 P C -0.505 176.847 177.300 0.088 0.000 1.182 796 P CA 0.617 63.754 63.100 0.062 0.000 0.761 796 P CB 0.565 32.290 31.700 0.042 0.000 0.795 797 A N 3.523 126.416 122.820 0.123 0.000 2.374 797 A HA 0.676 4.999 4.320 0.005 0.000 0.317 797 A C -0.824 176.828 177.584 0.113 0.000 1.094 797 A CA -0.672 51.465 52.037 0.167 0.000 0.765 797 A CB 1.561 20.722 19.000 0.269 0.000 1.268 797 A HN 0.335 nan 8.150 nan 0.000 0.438 798 V N 0.639 120.602 119.914 0.082 0.000 2.656 798 V HA 0.789 4.912 4.120 0.005 0.000 0.307 798 V C 0.166 176.269 176.094 0.015 0.000 1.051 798 V CA -0.197 62.093 62.300 -0.016 0.000 0.893 798 V CB 1.639 33.463 31.823 0.001 0.000 0.999 798 V HN 1.404 nan 8.190 nan 0.000 0.426 799 A N 2.789 125.552 122.820 -0.094 0.000 2.401 799 A HA 0.940 5.263 4.320 0.005 0.000 0.310 799 A C -0.556 177.020 177.584 -0.014 0.000 1.075 799 A CA -0.599 51.455 52.037 0.028 0.000 0.746 799 A CB 2.113 21.155 19.000 0.071 0.000 1.277 799 A HN 0.819 nan 8.150 nan 0.000 0.425 800 S N -0.040 115.699 115.700 0.066 0.000 2.548 800 S HA 0.833 5.306 4.470 0.005 0.000 0.276 800 S C -0.414 174.253 174.600 0.113 0.000 1.129 800 S CA 0.290 58.517 58.200 0.045 0.000 0.931 800 S CB 1.393 64.617 63.200 0.039 0.000 1.068 800 S HN 1.854 nan 8.310 nan 0.000 0.480 801 T N 0.441 115.059 114.554 0.107 0.000 2.778 801 T HA 0.498 4.851 4.350 0.005 0.000 0.293 801 T C -0.474 174.272 174.700 0.076 0.000 1.144 801 T CA -0.490 61.729 62.100 0.199 0.000 1.010 801 T CB 1.384 70.510 68.868 0.430 0.000 1.325 801 T HN 0.312 nan 8.240 nan 0.000 0.515 802 D N -0.677 119.745 120.400 0.036 0.000 2.325 802 D HA 0.271 4.914 4.640 0.005 0.000 0.225 802 D C -0.800 175.129 176.300 -0.618 0.000 1.096 802 D CA 0.020 53.855 54.000 -0.276 0.000 0.844 802 D CB -0.267 40.349 40.800 -0.306 0.000 0.925 802 D HN 0.428 nan 8.370 nan 0.000 0.513 803 Y N -0.020 120.228 120.300 -0.087 0.000 2.587 803 Y HA 0.333 4.886 4.550 0.005 0.000 0.337 803 Y C 0.997 176.855 175.900 -0.071 0.000 1.065 803 Y CA -1.468 56.560 58.100 -0.119 0.000 1.126 803 Y CB 0.754 39.075 38.460 -0.231 0.000 1.279 803 Y HN -0.179 nan 8.280 nan 0.000 0.489 804 M N 0.074 119.718 119.600 0.074 0.000 2.243 804 M HA 0.115 4.599 4.480 0.005 0.000 0.309 804 M C 0.496 176.824 176.300 0.047 0.000 1.050 804 M CA 0.172 55.487 55.300 0.024 0.000 1.139 804 M CB 0.427 33.039 32.600 0.019 0.000 1.457 804 M HN 0.693 nan 8.290 nan 0.000 0.440 805 K N 0.504 120.895 120.400 -0.016 0.000 2.113 805 K HA -0.176 4.148 4.320 0.005 0.000 0.208 805 K C 1.767 178.331 176.600 -0.061 0.000 1.047 805 K CA 1.426 57.679 56.287 -0.056 0.000 0.928 805 K CB -0.455 31.998 32.500 -0.078 0.000 0.716 805 K HN 0.594 nan 8.250 nan 0.000 0.446 806 L N 0.679 121.892 121.223 -0.016 0.000 2.187 806 L HA -0.166 4.177 4.340 0.005 0.000 0.213 806 L C 1.872 178.744 176.870 0.003 0.000 1.100 806 L CA 1.436 56.270 54.840 -0.010 0.000 0.765 806 L CB -0.539 41.528 42.059 0.014 0.000 0.904 806 L HN 0.103 nan 8.230 nan 0.000 0.437 807 F N 0.157 120.023 119.950 -0.140 0.000 2.126 807 F HA -0.172 4.359 4.527 0.005 0.000 0.299 807 F C 2.196 177.694 175.800 -0.504 0.000 1.096 807 F CA 1.554 59.434 58.000 -0.201 0.000 1.255 807 F CB -0.609 38.320 39.000 -0.118 0.000 0.997 807 F HN 0.137 nan 8.300 nan 0.000 0.479 808 A N -0.787 121.566 122.820 -0.777 0.000 2.044 808 A HA 0.022 4.345 4.320 0.005 0.000 0.213 808 A C 2.068 179.312 177.584 -0.568 0.000 1.169 808 A CA 0.760 51.893 52.037 -1.506 0.000 0.724 808 A CB -0.633 17.689 19.000 -1.129 0.000 0.840 808 A HN 0.432 nan 8.150 nan 0.000 0.463 809 E N 0.336 120.378 120.200 -0.264 0.000 2.268 809 E HA -0.233 4.120 4.350 0.005 0.000 0.195 809 E C 2.103 178.702 176.600 -0.003 0.000 0.995 809 E CA 1.094 57.471 56.400 -0.040 0.000 0.836 809 E CB -0.135 29.529 29.700 -0.060 0.000 0.763 809 E HN 0.898 nan 8.360 nan 0.000 0.491 810 Q N 0.240 120.001 119.800 -0.065 0.000 2.297 810 Q HA -0.136 4.207 4.340 0.005 0.000 0.208 810 Q C 1.820 177.861 176.000 0.068 0.000 0.981 810 Q CA 1.648 57.451 55.803 0.000 0.000 0.876 810 Q CB -0.352 28.387 28.738 0.002 0.000 0.921 810 Q HN 0.314 nan 8.270 nan 0.000 0.446 811 V N -2.566 117.394 119.914 0.077 0.000 3.596 811 V HA 0.216 4.339 4.120 0.005 0.000 0.289 811 V C 1.971 178.003 176.094 -0.104 0.000 1.336 811 V CA 0.365 62.751 62.300 0.143 0.000 1.137 811 V CB -0.168 31.764 31.823 0.181 0.000 0.966 811 V HN 0.109 nan 8.190 nan 0.000 0.428 812 R N 2.144 122.571 120.500 -0.122 0.000 2.113 812 R HA -0.167 4.176 4.340 0.005 0.000 0.244 812 R C 2.051 178.151 176.300 -0.334 0.000 1.142 812 R CA 2.829 58.821 56.100 -0.181 0.000 0.953 812 R CB -1.591 28.703 30.300 -0.009 0.000 0.860 812 R HN 0.540 nan 8.270 nan 0.000 0.438 813 T N -0.088 114.147 114.554 -0.531 0.000 2.803 813 T HA -0.163 4.190 4.350 0.005 0.000 0.269 813 T C 1.041 175.310 174.700 -0.718 0.000 1.052 813 T CA 1.815 63.492 62.100 -0.705 0.000 1.136 813 T CB -0.346 67.934 68.868 -0.980 0.000 0.864 813 T HN 0.350 nan 8.240 nan 0.000 0.467 814 Y N 0.334 120.579 120.300 -0.093 0.000 2.500 814 Y HA 0.347 4.900 4.550 0.005 0.000 0.270 814 Y C 1.012 176.822 175.900 -0.150 0.000 1.134 814 Y CA -1.040 57.001 58.100 -0.098 0.000 1.293 814 Y CB -0.535 37.879 38.460 -0.077 0.000 1.063 814 Y HN -0.066 nan 8.280 nan 0.000 0.534 815 V N 5.536 125.330 119.914 -0.200 0.000 2.479 815 V HA 0.046 4.169 4.120 0.005 0.000 0.281 815 V C -1.398 174.592 176.094 -0.173 0.000 1.031 815 V CA -1.199 60.938 62.300 -0.272 0.000 1.038 815 V CB 0.947 32.416 31.823 -0.590 0.000 0.981 815 V HN 0.129 nan 8.190 nan 0.000 0.478 816 P HA 0.218 nan 4.420 nan 0.000 0.259 816 P C -0.139 177.129 177.300 -0.053 0.000 1.480 816 P CA 0.236 63.293 63.100 -0.072 0.000 0.842 816 P CB 0.368 32.035 31.700 -0.055 0.000 1.513 817 A N -0.153 122.633 122.820 -0.056 0.000 2.374 817 A HA 0.438 4.761 4.320 0.005 0.000 0.317 817 A C 0.595 178.178 177.584 -0.001 0.000 1.094 817 A CA -0.473 51.556 52.037 -0.013 0.000 0.765 817 A CB 0.946 19.953 19.000 0.013 0.000 1.268 817 A HN -0.202 nan 8.150 nan 0.000 0.438 818 D N 0.287 120.692 120.400 0.010 0.000 2.269 818 D HA 0.028 4.671 4.640 0.005 0.000 0.208 818 D C -0.479 175.840 176.300 0.031 0.000 0.963 818 D CA 1.560 55.567 54.000 0.012 0.000 0.864 818 D CB 0.178 40.983 40.800 0.008 0.000 0.936 818 D HN 0.619 nan 8.370 nan 0.000 0.505 819 D N -1.162 119.268 120.400 0.050 0.000 2.408 819 D HA 0.215 4.858 4.640 0.005 0.000 0.243 819 D C -1.306 175.079 176.300 0.143 0.000 1.075 819 D CA -0.560 53.481 54.000 0.068 0.000 0.832 819 D CB 0.992 41.819 40.800 0.043 0.000 1.162 819 D HN -0.107 nan 8.370 nan 0.000 0.515 820 Y N 2.875 123.160 120.300 -0.024 0.000 2.344 820 Y HA 0.378 4.931 4.550 0.005 0.000 0.328 820 Y C -1.128 174.756 175.900 -0.028 0.000 1.067 820 Y CA -0.818 57.268 58.100 -0.025 0.000 1.247 820 Y CB 0.551 38.989 38.460 -0.036 0.000 1.113 820 Y HN 0.253 nan 8.280 nan 0.000 0.465 821 R N 4.053 124.387 120.500 -0.276 0.000 2.368 821 R HA 0.736 5.079 4.340 0.005 0.000 0.302 821 R C -1.335 174.698 176.300 -0.446 0.000 1.002 821 R CA -0.973 54.959 56.100 -0.281 0.000 0.929 821 R CB 1.883 32.102 30.300 -0.135 0.000 1.073 821 R HN 0.389 nan 8.270 nan 0.000 0.464 822 V N 5.422 125.115 119.914 -0.369 0.000 2.483 822 V HA 0.361 4.484 4.120 0.005 0.000 0.297 822 V C -0.220 175.757 176.094 -0.195 0.000 1.027 822 V CA -0.748 61.342 62.300 -0.350 0.000 0.855 822 V CB 1.715 33.298 31.823 -0.399 0.000 0.995 822 V HN 0.573 nan 8.190 nan 0.000 0.424 823 L N 4.093 125.228 121.223 -0.147 0.000 2.343 823 L HA 0.996 5.339 4.340 0.005 0.000 0.275 823 L C 0.705 177.519 176.870 -0.093 0.000 1.056 823 L CA -0.115 54.661 54.840 -0.107 0.000 0.804 823 L CB 1.747 43.761 42.059 -0.075 0.000 1.203 823 L HN 0.805 nan 8.230 nan 0.000 0.440 824 G N -0.702 108.043 108.800 -0.090 0.000 2.550 824 G HA2 0.392 4.355 3.960 0.005 0.000 0.293 824 G HA3 0.392 4.355 3.960 0.005 0.000 0.293 824 G C -0.419 174.428 174.900 -0.088 0.000 1.402 824 G CA -0.056 45.001 45.100 -0.072 0.000 0.784 824 G HN 0.491 nan 8.290 nan 0.000 0.482 825 T N -1.159 113.305 114.554 -0.151 0.000 3.260 825 T HA 0.334 4.687 4.350 0.005 0.000 0.254 825 T C -0.242 174.349 174.700 -0.181 0.000 0.951 825 T CA -0.279 61.646 62.100 -0.292 0.000 0.918 825 T CB -0.457 68.011 68.868 -0.667 0.000 1.098 825 T HN 0.307 nan 8.240 nan 0.000 0.563 826 D N 1.731 122.110 120.400 -0.034 0.000 2.506 826 D HA 0.454 5.097 4.640 0.005 0.000 0.234 826 D C 1.024 177.389 176.300 0.107 0.000 1.143 826 D CA 1.597 55.589 54.000 -0.013 0.000 0.871 826 D CB 0.088 40.872 40.800 -0.028 0.000 1.190 826 D HN 0.758 nan 8.370 nan 0.000 0.459 827 G N 0.023 108.840 108.800 0.028 0.000 2.459 827 G HA2 -0.011 3.952 3.960 0.005 0.000 0.685 827 G HA3 -0.011 3.952 3.960 0.005 0.000 0.685 827 G C -0.977 174.005 174.900 0.137 0.000 1.303 827 G CA -1.204 43.962 45.100 0.110 0.000 0.907 827 G HN 0.245 nan 8.290 nan 0.000 0.632 828 F N 1.251 121.328 119.950 0.212 0.000 2.418 828 F HA 0.527 5.057 4.527 0.005 0.000 0.341 828 F C 1.657 177.645 175.800 0.313 0.000 1.120 828 F CA 1.176 59.288 58.000 0.186 0.000 1.232 828 F CB 1.063 40.132 39.000 0.114 0.000 1.175 828 F HN 0.748 nan 8.300 nan 0.000 0.569 829 G N 2.127 111.204 108.800 0.461 0.000 2.651 829 G HA2 0.558 4.521 3.960 0.005 0.000 0.260 829 G HA3 0.558 4.521 3.960 0.005 0.000 0.260 829 G C -0.741 174.327 174.900 0.280 0.000 1.216 829 G CA -0.695 44.646 45.100 0.402 0.000 0.913 829 G HN 0.773 nan 8.290 nan 0.000 0.535 830 R N -1.802 118.817 120.500 0.199 0.000 2.728 830 R HA 0.419 4.762 4.340 0.005 0.000 0.274 830 R C -1.373 174.956 176.300 0.048 0.000 1.032 830 R CA -0.818 55.326 56.100 0.073 0.000 0.866 830 R CB 0.567 30.850 30.300 -0.028 0.000 1.263 830 R HN 0.385 nan 8.270 nan 0.000 0.475 831 S N 0.752 116.457 115.700 0.008 0.000 2.513 831 S HA 0.427 4.900 4.470 0.005 0.000 0.276 831 S C -0.646 173.947 174.600 -0.012 0.000 1.254 831 S CA -0.234 57.965 58.200 -0.002 0.000 1.053 831 S CB 0.572 63.764 63.200 -0.013 0.000 0.958 831 S HN 0.561 nan 8.310 nan 0.000 0.491 832 D N -0.041 120.360 120.400 0.001 0.000 2.893 832 D HA 0.156 4.799 4.640 0.005 0.000 0.346 832 D C -0.835 175.475 176.300 0.017 0.000 1.402 832 D CA -0.344 53.657 54.000 0.001 0.000 0.815 832 D CB 1.051 41.846 40.800 -0.008 0.000 1.403 832 D HN 0.534 nan 8.370 nan 0.000 0.484 833 S N -0.325 115.389 115.700 0.022 0.000 2.614 833 S HA 0.377 4.850 4.470 0.005 0.000 0.265 833 S C 1.309 175.937 174.600 0.046 0.000 1.303 833 S CA -0.387 57.831 58.200 0.031 0.000 1.000 833 S CB 1.672 64.890 63.200 0.030 0.000 0.935 833 S HN 0.483 nan 8.310 nan 0.000 0.551 834 R N 0.694 121.224 120.500 0.049 0.000 2.083 834 R HA -0.143 4.201 4.340 0.005 0.000 0.237 834 R C 2.395 178.727 176.300 0.053 0.000 1.137 834 R CA 1.818 57.950 56.100 0.053 0.000 0.951 834 R CB -0.527 29.811 30.300 0.065 0.000 0.851 834 R HN 0.919 nan 8.270 nan 0.000 0.434 835 E N 0.779 121.013 120.200 0.057 0.000 2.038 835 E HA -0.226 4.127 4.350 0.005 0.000 0.195 835 E C 1.624 178.272 176.600 0.080 0.000 1.000 835 E CA 1.439 57.873 56.400 0.056 0.000 0.803 835 E CB 0.038 29.765 29.700 0.046 0.000 0.750 835 E HN 0.239 nan 8.360 nan 0.000 0.448 836 N N 0.373 119.118 118.700 0.074 0.000 2.166 836 N HA -0.136 4.607 4.740 0.005 0.000 0.186 836 N C 1.940 177.538 175.510 0.146 0.000 1.019 836 N CA 0.874 53.983 53.050 0.099 0.000 0.856 836 N CB -0.210 38.309 38.487 0.054 0.000 0.993 836 N HN 0.257 nan 8.380 nan 0.000 0.426 837 L N 0.378 121.686 121.223 0.142 0.000 2.109 837 L HA -0.019 4.325 4.340 0.005 0.000 0.207 837 L C 2.209 179.254 176.870 0.292 0.000 1.086 837 L CA 0.796 55.783 54.840 0.245 0.000 0.760 837 L CB -0.167 42.050 42.059 0.263 0.000 0.910 837 L HN 0.079 nan 8.230 nan 0.000 0.437 838 R N -1.412 119.182 120.500 0.156 0.000 2.189 838 R HA -0.145 4.198 4.340 0.005 0.000 0.218 838 R C 2.114 178.475 176.300 0.102 0.000 1.074 838 R CA 0.767 56.911 56.100 0.073 0.000 0.991 838 R CB -0.198 30.052 30.300 -0.084 0.000 0.883 838 R HN 0.316 nan 8.270 nan 0.000 0.457 839 H N -0.721 118.387 119.070 0.062 0.000 2.355 839 H HA -0.064 4.495 4.556 0.005 0.000 0.303 839 H C 1.948 177.273 175.328 -0.005 0.000 1.061 839 H CA 1.723 57.839 56.048 0.114 0.000 1.368 839 H CB -0.020 29.836 29.762 0.156 0.000 1.412 839 H HN 0.207 nan 8.280 nan 0.000 0.523 840 H N -0.661 118.390 119.070 -0.033 0.000 2.319 840 H HA -0.158 4.401 4.556 0.005 0.000 0.297 840 H C 1.147 176.225 175.328 -0.417 0.000 1.097 840 H CA 2.132 58.033 56.048 -0.245 0.000 1.285 840 H CB -0.520 29.042 29.762 -0.333 0.000 1.368 840 H HN 0.314 nan 8.280 nan 0.000 0.495 841 F N 1.032 120.789 119.950 -0.323 0.000 2.811 841 F HA 0.112 4.642 4.527 0.005 0.000 0.301 841 F C 0.411 175.913 175.800 -0.496 0.000 1.151 841 F CA 0.741 58.511 58.000 -0.383 0.000 1.412 841 F CB -0.208 38.684 39.000 -0.181 0.000 1.113 841 F HN 0.238 nan 8.300 nan 0.000 0.579 842 E N -0.900 118.910 120.200 -0.651 0.000 2.297 842 E HA -0.199 4.154 4.350 0.005 0.000 0.228 842 E C 0.499 176.701 176.600 -0.663 0.000 1.213 842 E CA 0.207 55.792 56.400 -1.359 0.000 0.712 842 E CB -1.841 27.127 29.700 -1.220 0.000 1.202 842 E HN 0.275 nan 8.360 nan 0.000 0.376 843 V N -0.288 119.435 119.914 -0.317 0.000 3.398 843 V HA -0.001 4.122 4.120 0.005 0.000 0.298 843 V C 0.683 176.760 176.094 -0.029 0.000 1.496 843 V CA 0.617 62.847 62.300 -0.117 0.000 1.044 843 V CB 0.285 32.052 31.823 -0.093 0.000 0.880 843 V HN 0.471 nan 8.190 nan 0.000 0.443 844 D N 0.880 121.297 120.400 0.028 0.000 2.414 844 D HA 0.299 4.942 4.640 0.005 0.000 0.259 844 D C 1.593 177.951 176.300 0.098 0.000 1.269 844 D CA 0.356 54.384 54.000 0.046 0.000 1.028 844 D CB 0.886 41.743 40.800 0.095 0.000 1.093 844 D HN 0.001 nan 8.370 nan 0.000 0.545 845 A N 0.012 122.882 122.820 0.083 0.000 1.940 845 A HA -0.183 4.140 4.320 0.005 0.000 0.219 845 A C 2.220 179.713 177.584 -0.151 0.000 1.176 845 A CA 2.077 54.119 52.037 0.009 0.000 0.631 845 A CB -1.130 17.879 19.000 0.016 0.000 0.814 845 A HN 0.506 nan 8.150 nan 0.000 0.446 846 S N -1.326 114.220 115.700 -0.256 0.000 2.359 846 S HA -0.195 4.278 4.470 0.005 0.000 0.224 846 S C 1.794 176.164 174.600 -0.384 0.000 1.035 846 S CA 1.800 59.622 58.200 -0.630 0.000 1.018 846 S CB -0.586 62.357 63.200 -0.428 0.000 0.876 846 S HN 0.697 nan 8.310 nan 0.000 0.448 847 Y N 0.964 121.173 120.300 -0.152 0.000 2.352 847 Y HA -0.030 4.523 4.550 0.005 0.000 0.292 847 Y C 2.356 178.204 175.900 -0.087 0.000 1.136 847 Y CA 0.402 58.439 58.100 -0.106 0.000 1.227 847 Y CB -0.421 37.972 38.460 -0.111 0.000 0.991 847 Y HN 0.059 nan 8.280 nan 0.000 0.545 848 V N -1.448 118.497 119.914 0.051 0.000 2.453 848 V HA -0.221 3.902 4.120 0.005 0.000 0.247 848 V C 2.129 178.215 176.094 -0.014 0.000 1.048 848 V CA 1.325 63.638 62.300 0.022 0.000 1.049 848 V CB -0.660 31.181 31.823 0.029 0.000 0.672 848 V HN 0.198 nan 8.190 nan 0.000 0.457 849 V N -0.302 119.575 119.914 -0.062 0.000 2.295 849 V HA -0.208 3.915 4.120 0.005 0.000 0.246 849 V C 2.438 178.497 176.094 -0.058 0.000 1.049 849 V CA 1.885 64.153 62.300 -0.053 0.000 1.024 849 V CB -0.351 31.447 31.823 -0.043 0.000 0.648 849 V HN 0.398 nan 8.190 nan 0.000 0.447 850 V N 0.236 120.118 119.914 -0.054 0.000 2.407 850 V HA -0.246 3.877 4.120 0.005 0.000 0.248 850 V C 2.648 178.719 176.094 -0.038 0.000 1.055 850 V CA 1.943 64.218 62.300 -0.043 0.000 1.049 850 V CB -0.988 30.800 31.823 -0.060 0.000 0.662 850 V HN 0.564 nan 8.190 nan 0.000 0.455 851 A N -0.168 122.641 122.820 -0.018 0.000 1.898 851 A HA -0.053 4.270 4.320 0.005 0.000 0.216 851 A C 2.414 179.984 177.584 -0.024 0.000 1.181 851 A CA 1.913 53.942 52.037 -0.014 0.000 0.620 851 A CB -0.674 18.322 19.000 -0.005 0.000 0.819 851 A HN 0.545 nan 8.150 nan 0.000 0.442 852 A N -0.180 122.625 122.820 -0.025 0.000 1.873 852 A HA -0.001 4.322 4.320 0.005 0.000 0.215 852 A C 2.165 179.723 177.584 -0.043 0.000 1.186 852 A CA 1.414 53.438 52.037 -0.021 0.000 0.616 852 A CB -0.644 18.350 19.000 -0.010 0.000 0.823 852 A HN 0.450 nan 8.150 nan 0.000 0.442 853 L N -0.565 120.605 121.223 -0.088 0.000 2.042 853 L HA -0.152 4.191 4.340 0.005 0.000 0.210 853 L C 2.824 179.649 176.870 -0.075 0.000 1.076 853 L CA 1.129 55.893 54.840 -0.126 0.000 0.749 853 L CB -0.831 41.084 42.059 -0.240 0.000 0.893 853 L HN 0.505 nan 8.230 nan 0.000 0.432 854 G N -0.434 108.332 108.800 -0.057 0.000 2.422 854 G HA2 -0.236 3.727 3.960 0.005 0.000 0.218 854 G HA3 -0.236 3.727 3.960 0.005 0.000 0.218 854 G C 1.418 176.304 174.900 -0.023 0.000 1.146 854 G CA 0.604 45.683 45.100 -0.036 0.000 0.769 854 G HN 0.437 nan 8.290 nan 0.000 0.547 855 E N -0.032 120.156 120.200 -0.019 0.000 2.106 855 E HA -0.005 4.348 4.350 0.005 0.000 0.192 855 E C 2.537 179.134 176.600 -0.005 0.000 0.984 855 E CA 0.401 56.797 56.400 -0.007 0.000 0.806 855 E CB -0.155 29.546 29.700 0.002 0.000 0.750 855 E HN 0.391 nan 8.360 nan 0.000 0.458 856 L N 0.562 121.779 121.223 -0.010 0.000 2.093 856 L HA -0.127 4.216 4.340 0.005 0.000 0.208 856 L C 2.554 179.421 176.870 -0.006 0.000 1.085 856 L CA 0.869 55.706 54.840 -0.005 0.000 0.755 856 L CB -0.382 41.672 42.059 -0.009 0.000 0.904 856 L HN 0.137 nan 8.230 nan 0.000 0.435 857 A N 0.006 122.817 122.820 -0.015 0.000 2.019 857 A HA -0.178 4.146 4.320 0.005 0.000 0.219 857 A C 2.241 179.821 177.584 -0.006 0.000 1.164 857 A CA 1.353 53.383 52.037 -0.012 0.000 0.644 857 A CB -0.270 18.719 19.000 -0.019 0.000 0.805 857 A HN 0.336 nan 8.150 nan 0.000 0.449 858 K N -0.696 119.700 120.400 -0.006 0.000 2.296 858 K HA 0.004 4.327 4.320 0.005 0.000 0.200 858 K C 1.487 178.088 176.600 0.000 0.000 1.048 858 K CA 0.745 57.030 56.287 -0.003 0.000 0.966 858 K CB -0.003 32.495 32.500 -0.003 0.000 0.754 858 K HN 0.366 nan 8.250 nan 0.000 0.466 859 R N 0.053 120.554 120.500 0.002 0.000 2.334 859 R HA 0.059 4.402 4.340 0.005 0.000 0.220 859 R C 0.582 176.886 176.300 0.006 0.000 0.917 859 R CA 0.342 56.446 56.100 0.005 0.000 1.073 859 R CB 0.508 30.813 30.300 0.008 0.000 1.056 859 R HN 0.266 nan 8.270 nan 0.000 0.506 860 G N 1.708 110.511 108.800 0.004 0.000 2.221 860 G HA2 -0.298 3.665 3.960 0.005 0.000 0.265 860 G HA3 -0.298 3.665 3.960 0.005 0.000 0.265 860 G C 0.386 175.290 174.900 0.008 0.000 1.041 860 G CA 0.469 45.572 45.100 0.005 0.000 0.807 860 G HN 0.480 nan 8.290 nan 0.000 0.502 861 E N -0.949 119.257 120.200 0.009 0.000 2.415 861 E HA 0.303 4.656 4.350 0.005 0.000 0.197 861 E C 1.314 177.924 176.600 0.017 0.000 1.007 861 E CA 0.907 57.315 56.400 0.013 0.000 0.890 861 E CB 0.469 30.177 29.700 0.015 0.000 0.891 861 E HN 0.898 nan 8.360 nan 0.000 0.496 862 I N -2.839 117.738 120.570 0.012 0.000 3.006 862 I HA 0.409 4.582 4.170 0.005 0.000 0.306 862 I C -0.972 175.151 176.117 0.010 0.000 1.250 862 I CA -1.271 60.039 61.300 0.017 0.000 0.996 862 I CB 2.275 40.284 38.000 0.014 0.000 1.261 862 I HN -0.347 nan 8.210 nan 0.000 0.442 863 D N 3.062 123.472 120.400 0.015 0.000 2.389 863 D HA 0.125 4.769 4.640 0.005 0.000 0.247 863 D C 0.715 177.017 176.300 0.003 0.000 1.128 863 D CA 0.036 54.042 54.000 0.010 0.000 0.884 863 D CB 1.639 42.448 40.800 0.014 0.000 1.194 863 D HN 0.614 nan 8.370 nan 0.000 0.441 864 K N 2.556 122.955 120.400 -0.001 0.000 2.286 864 K HA -0.169 4.154 4.320 0.005 0.000 0.203 864 K C 1.639 178.235 176.600 -0.006 0.000 1.045 864 K CA 0.960 57.243 56.287 -0.007 0.000 0.935 864 K CB 0.241 32.738 32.500 -0.006 0.000 0.737 864 K HN 0.384 nan 8.250 nan 0.000 0.460 865 K N 0.649 121.050 120.400 0.001 0.000 2.211 865 K HA -0.079 4.244 4.320 0.005 0.000 0.203 865 K C 1.993 178.598 176.600 0.008 0.000 1.050 865 K CA 0.953 57.242 56.287 0.003 0.000 0.945 865 K CB -0.035 32.469 32.500 0.006 0.000 0.732 865 K HN -0.041 nan 8.250 nan 0.000 0.451 866 V N 1.018 120.941 119.914 0.015 0.000 2.407 866 V HA -0.213 3.910 4.120 0.005 0.000 0.248 866 V C 2.242 178.330 176.094 -0.010 0.000 1.055 866 V CA 1.456 63.778 62.300 0.035 0.000 1.049 866 V CB -0.401 31.451 31.823 0.049 0.000 0.662 866 V HN 0.062 nan 8.190 nan 0.000 0.455 867 V N 0.464 120.355 119.914 -0.039 0.000 2.358 867 V HA -0.183 3.940 4.120 0.005 0.000 0.246 867 V C 2.726 178.804 176.094 -0.027 0.000 1.047 867 V CA 1.816 64.083 62.300 -0.055 0.000 1.035 867 V CB -1.199 30.595 31.823 -0.048 0.000 0.658 867 V HN 0.533 nan 8.190 nan 0.000 0.452 868 A N 0.043 122.853 122.820 -0.016 0.000 1.933 868 A HA -0.233 4.090 4.320 0.005 0.000 0.218 868 A C 1.979 179.554 177.584 -0.014 0.000 1.175 868 A CA 1.931 53.961 52.037 -0.012 0.000 0.628 868 A CB -0.544 18.451 19.000 -0.008 0.000 0.814 868 A HN 0.547 nan 8.150 nan 0.000 0.444 869 D N 0.036 120.430 120.400 -0.010 0.000 2.224 869 D HA 0.023 4.666 4.640 0.005 0.000 0.205 869 D C 2.165 178.433 176.300 -0.053 0.000 0.965 869 D CA 1.218 55.206 54.000 -0.020 0.000 0.852 869 D CB -0.279 40.521 40.800 0.001 0.000 0.947 869 D HN 0.445 nan 8.370 nan 0.000 0.494 870 A N 1.213 124.015 122.820 -0.029 0.000 1.855 870 A HA -0.115 4.208 4.320 0.005 0.000 0.215 870 A C 2.355 179.920 177.584 -0.030 0.000 1.191 870 A CA 0.688 52.688 52.037 -0.062 0.000 0.613 870 A CB -0.727 18.314 19.000 0.068 0.000 0.829 870 A HN 0.135 nan 8.150 nan 0.000 0.442 871 I N -0.079 120.507 120.570 0.026 0.000 2.145 871 I HA -0.383 3.790 4.170 0.005 0.000 0.244 871 I C 2.938 179.062 176.117 0.011 0.000 1.075 871 I CA 1.482 62.796 61.300 0.024 0.000 1.332 871 I CB -0.391 37.604 38.000 -0.008 0.000 1.033 871 I HN 0.396 nan 8.210 nan 0.000 0.410 872 A N 0.466 123.270 122.820 -0.027 0.000 1.897 872 A HA -0.225 4.098 4.320 0.005 0.000 0.215 872 A C 2.379 179.923 177.584 -0.066 0.000 1.181 872 A CA 1.700 53.719 52.037 -0.030 0.000 0.620 872 A CB -0.477 18.504 19.000 -0.032 0.000 0.821 872 A HN 0.384 nan 8.150 nan 0.000 0.443 873 K N -1.347 118.949 120.400 -0.173 0.000 2.097 873 K HA -0.130 4.193 4.320 0.005 0.000 0.206 873 K C 0.852 177.301 176.600 -0.252 0.000 1.049 873 K CA 1.577 57.692 56.287 -0.287 0.000 0.933 873 K CB -0.276 31.921 32.500 -0.506 0.000 0.717 873 K HN 0.354 nan 8.250 nan 0.000 0.442 874 F N 1.676 121.636 119.950 0.016 0.000 2.773 874 F HA 0.154 4.684 4.527 0.005 0.000 0.304 874 F C 0.143 175.967 175.800 0.041 0.000 1.129 874 F CA -0.084 57.928 58.000 0.019 0.000 1.378 874 F CB -0.267 38.734 39.000 0.002 0.000 1.095 874 F HN 0.106 nan 8.300 nan 0.000 0.565 875 N N 0.708 119.507 118.700 0.166 0.000 2.754 875 N HA -0.232 4.512 4.740 0.005 0.000 0.248 875 N C -0.296 175.365 175.510 0.252 0.000 1.093 875 N CA 0.492 53.631 53.050 0.149 0.000 0.699 875 N CB -1.736 36.809 38.487 0.096 0.000 1.016 875 N HN 0.300 nan 8.380 nan 0.000 0.552 876 I N 0.650 121.319 120.570 0.165 0.000 2.395 876 I HA 0.053 4.226 4.170 0.005 0.000 0.289 876 I C 0.686 176.842 176.117 0.065 0.000 1.023 876 I CA -0.330 61.007 61.300 0.062 0.000 1.350 876 I CB 0.927 38.803 38.000 -0.206 0.000 1.409 876 I HN -0.080 nan 8.210 nan 0.000 0.507 877 D N 6.134 126.590 120.400 0.093 0.000 2.441 877 D HA 0.265 4.909 4.640 0.005 0.000 0.221 877 D C 0.850 177.184 176.300 0.056 0.000 1.156 877 D CA -0.246 53.796 54.000 0.071 0.000 0.896 877 D CB 1.508 42.356 40.800 0.080 0.000 1.028 877 D HN 0.620 nan 8.370 nan 0.000 0.509 878 A N 3.725 126.567 122.820 0.037 0.000 2.125 878 A HA -0.124 4.199 4.320 0.005 0.000 0.219 878 A C 1.245 178.843 177.584 0.024 0.000 1.156 878 A CA 1.039 53.094 52.037 0.030 0.000 0.671 878 A CB 0.124 19.134 19.000 0.017 0.000 0.794 878 A HN 0.543 nan 8.150 nan 0.000 0.459 879 D N -0.269 120.144 120.400 0.022 0.000 2.440 879 D HA 0.068 4.711 4.640 0.005 0.000 0.216 879 D C 0.035 176.342 176.300 0.011 0.000 1.150 879 D CA -0.064 53.944 54.000 0.014 0.000 0.832 879 D CB 0.201 41.009 40.800 0.012 0.000 0.992 879 D HN 0.688 nan 8.370 nan 0.000 0.502 880 K N 0.632 121.040 120.400 0.015 0.000 2.276 880 K HA 0.220 4.543 4.320 0.005 0.000 0.259 880 K C 0.499 177.092 176.600 -0.012 0.000 1.001 880 K CA -0.544 55.748 56.287 0.008 0.000 0.927 880 K CB 1.535 34.042 32.500 0.012 0.000 0.969 880 K HN -0.227 nan 8.250 nan 0.000 0.490 881 V N 2.036 121.944 119.914 -0.010 0.000 2.872 881 V HA -0.081 4.042 4.120 0.005 0.000 0.307 881 V C 0.286 176.350 176.094 -0.051 0.000 1.072 881 V CA -0.221 62.069 62.300 -0.017 0.000 1.148 881 V CB 0.595 32.418 31.823 -0.000 0.000 0.954 881 V HN 0.958 nan 8.190 nan 0.000 0.490 882 N N 6.328 124.998 118.700 -0.050 0.000 2.411 882 N HA 0.066 4.809 4.740 0.005 0.000 0.261 882 N C -1.741 173.711 175.510 -0.097 0.000 1.248 882 N CA -0.848 52.156 53.050 -0.076 0.000 0.885 882 N CB 1.397 39.855 38.487 -0.049 0.000 1.062 882 N HN 0.446 nan 8.380 nan 0.000 0.471 883 P HA -0.156 nan 4.420 nan 0.000 0.218 883 P C 1.228 178.510 177.300 -0.029 0.000 1.146 883 P CA 1.132 64.091 63.100 -0.234 0.000 0.813 883 P CB 0.134 31.585 31.700 -0.415 0.000 0.778 884 R N 0.000 120.489 120.500 -0.019 0.000 2.120 884 R HA -0.078 4.265 4.340 0.005 0.000 0.234 884 R C 1.680 177.993 176.300 0.023 0.000 1.123 884 R CA 1.197 57.296 56.100 -0.001 0.000 0.975 884 R CB -0.570 29.712 30.300 -0.031 0.000 0.866 884 R HN 0.225 nan 8.270 nan 0.000 0.446 885 L N 0.171 121.408 121.223 0.023 0.000 2.567 885 L HA 0.270 4.613 4.340 0.005 0.000 0.225 885 L C 1.136 178.051 176.870 0.074 0.000 1.119 885 L CA -0.293 54.576 54.840 0.047 0.000 0.871 885 L CB 0.012 42.084 42.059 0.023 0.000 1.036 885 L HN 0.126 nan 8.230 nan 0.000 0.459 886 A N 0.000 122.868 122.820 0.079 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.095 52.037 0.097 0.000 0.836 886 A CB 0.000 19.082 19.000 0.137 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486