REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1rp7_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.130 176.117 0.021 0.000 1.063 56 I CA 0.000 61.310 61.300 0.018 0.000 1.566 56 I CB 0.000 38.016 38.000 0.027 0.000 1.214 57 S N 3.826 119.536 115.700 0.016 0.000 2.694 57 S HA 0.533 5.002 4.470 -0.002 0.000 0.278 57 S C 0.058 174.687 174.600 0.049 0.000 1.152 57 S CA -0.788 57.424 58.200 0.020 0.000 1.010 57 S CB 0.869 64.068 63.200 -0.003 0.000 1.104 57 S HN 0.535 nan 8.310 nan 0.000 0.547 58 N N 0.037 118.771 118.700 0.057 0.000 2.415 58 N HA 0.088 4.827 4.740 -0.002 0.000 0.248 58 N C -0.874 174.718 175.510 0.137 0.000 1.271 58 N CA 0.052 53.165 53.050 0.105 0.000 0.913 58 N CB -0.209 38.335 38.487 0.095 0.000 1.129 58 N HN 0.697 nan 8.380 nan 0.000 0.444 59 Y N 1.966 122.300 120.300 0.058 0.000 2.851 59 Y HA 0.233 4.782 4.550 -0.002 0.000 0.369 59 Y C 0.267 176.256 175.900 0.147 0.000 1.226 59 Y CA -0.192 57.936 58.100 0.047 0.000 1.949 59 Y CB -0.748 37.781 38.460 0.116 0.000 2.059 59 Y HN 0.300 nan 8.280 nan 0.000 0.420 60 I N -2.525 118.055 120.570 0.016 0.000 3.191 60 I HA 0.503 4.672 4.170 -0.002 0.000 0.313 60 I C -0.724 175.337 176.117 -0.094 0.000 1.193 60 I CA -1.572 59.783 61.300 0.092 0.000 0.968 60 I CB 1.506 39.621 38.000 0.192 0.000 1.262 60 I HN -0.161 nan 8.210 nan 0.000 0.456 61 N N 1.970 120.642 118.700 -0.047 0.000 2.345 61 N HA 0.038 4.777 4.740 -0.002 0.000 0.243 61 N C 0.817 176.289 175.510 -0.062 0.000 1.246 61 N CA 0.235 53.229 53.050 -0.094 0.000 0.863 61 N CB 0.707 39.186 38.487 -0.013 0.000 1.096 61 N HN 0.702 nan 8.380 nan 0.000 0.446 62 T N 1.134 115.633 114.554 -0.091 0.000 2.857 62 T HA 0.072 4.420 4.350 -0.002 0.000 0.266 62 T C 1.016 175.698 174.700 -0.030 0.000 1.048 62 T CA 0.739 62.799 62.100 -0.066 0.000 1.139 62 T CB 0.027 68.840 68.868 -0.092 0.000 0.874 62 T HN 0.405 nan 8.240 nan 0.000 0.455 63 I N 3.976 124.533 120.570 -0.022 0.000 2.291 63 I HA 0.237 4.406 4.170 -0.002 0.000 0.290 63 I C -2.159 173.980 176.117 0.036 0.000 1.050 63 I CA -2.493 58.811 61.300 0.008 0.000 1.245 63 I CB 1.111 39.117 38.000 0.011 0.000 1.405 63 I HN -0.005 nan 8.210 nan 0.000 0.478 64 P HA -0.049 nan 4.420 nan 0.000 0.269 64 P C 0.957 178.301 177.300 0.073 0.000 1.209 64 P CA -0.067 63.070 63.100 0.062 0.000 0.776 64 P CB 1.616 33.349 31.700 0.054 0.000 0.876 65 V N 2.383 122.351 119.914 0.089 0.000 2.546 65 V HA -0.276 3.843 4.120 -0.002 0.000 0.254 65 V C 1.833 177.974 176.094 0.079 0.000 1.076 65 V CA 2.217 64.573 62.300 0.093 0.000 1.087 65 V CB -1.059 30.827 31.823 0.105 0.000 0.674 65 V HN 0.506 nan 8.190 nan 0.000 0.470 66 E N 0.231 120.472 120.200 0.068 0.000 2.268 66 E HA -0.120 4.229 4.350 -0.002 0.000 0.195 66 E C 1.843 178.476 176.600 0.055 0.000 0.995 66 E CA 1.349 57.783 56.400 0.058 0.000 0.836 66 E CB -0.075 29.655 29.700 0.050 0.000 0.763 66 E HN 0.782 nan 8.360 nan 0.000 0.491 67 E N 0.350 120.584 120.200 0.057 0.000 2.501 67 E HA 0.024 4.372 4.350 -0.002 0.000 0.201 67 E C 0.096 176.738 176.600 0.070 0.000 1.016 67 E CA -0.175 56.257 56.400 0.054 0.000 0.920 67 E CB 0.369 30.094 29.700 0.042 0.000 1.023 67 E HN 0.176 nan 8.360 nan 0.000 0.474 68 Q N 3.128 122.979 119.800 0.084 0.000 2.307 68 Q HA 0.156 4.495 4.340 -0.002 0.000 0.259 68 Q C -2.148 173.927 176.000 0.126 0.000 0.998 68 Q CA -2.063 53.808 55.803 0.113 0.000 0.923 68 Q CB 0.677 29.485 28.738 0.117 0.000 1.196 68 Q HN -0.098 nan 8.270 nan 0.000 0.416 69 P HA 0.043 nan 4.420 nan 0.000 0.272 69 P C -0.640 176.740 177.300 0.134 0.000 1.230 69 P CA -0.114 63.082 63.100 0.161 0.000 0.788 69 P CB 0.645 32.486 31.700 0.234 0.000 0.949 70 E N 0.534 120.770 120.200 0.061 0.000 2.376 70 E HA -0.003 4.346 4.350 -0.002 0.000 0.266 70 E C -0.468 176.055 176.600 -0.128 0.000 1.009 70 E CA -0.048 56.355 56.400 0.006 0.000 0.902 70 E CB 0.038 29.731 29.700 -0.013 0.000 0.972 70 E HN 0.364 nan 8.360 nan 0.000 0.439 71 Y N 5.857 126.001 120.300 -0.261 0.000 2.465 71 Y HA 0.052 4.601 4.550 -0.002 0.000 0.331 71 Y C -1.228 174.396 175.900 -0.460 0.000 1.102 71 Y CA -1.560 56.231 58.100 -0.514 0.000 1.358 71 Y CB 0.812 39.102 38.460 -0.283 0.000 1.213 71 Y HN 0.375 nan 8.280 nan 0.000 0.525 72 P HA 0.138 nan 4.420 nan 0.000 0.245 72 P C 0.253 177.273 177.300 -0.466 0.000 1.206 72 P CA 0.516 63.191 63.100 -0.709 0.000 0.781 72 P CB 0.436 31.732 31.700 -0.673 0.000 0.994 73 G N 0.344 108.772 108.800 -0.620 0.000 2.521 73 G HA2 0.211 4.170 3.960 -0.002 0.000 0.323 73 G HA3 0.211 4.170 3.960 -0.002 0.000 0.323 73 G C -0.693 174.388 174.900 0.302 0.000 1.211 73 G CA -0.472 44.721 45.100 0.155 0.000 0.979 73 G HN -0.029 nan 8.290 nan 0.000 0.490 74 N N 0.863 119.730 118.700 0.280 0.000 2.448 74 N HA 0.075 4.814 4.740 -0.002 0.000 0.250 74 N C 1.671 177.209 175.510 0.046 0.000 1.136 74 N CA -0.213 52.884 53.050 0.078 0.000 0.953 74 N CB 0.583 39.008 38.487 -0.103 0.000 1.251 74 N HN 0.405 nan 8.380 nan 0.000 0.502 75 L N 1.563 122.854 121.223 0.113 0.000 2.043 75 L HA -0.179 4.160 4.340 -0.002 0.000 0.212 75 L C 2.368 179.231 176.870 -0.011 0.000 1.075 75 L CA 1.284 56.152 54.840 0.046 0.000 0.752 75 L CB -0.225 41.827 42.059 -0.011 0.000 0.891 75 L HN 0.583 nan 8.230 nan 0.000 0.432 76 E N 0.572 120.755 120.200 -0.029 0.000 2.072 76 E HA -0.234 4.115 4.350 -0.002 0.000 0.190 76 E C 2.212 178.761 176.600 -0.085 0.000 0.982 76 E CA 1.193 57.569 56.400 -0.040 0.000 0.803 76 E CB -0.095 29.586 29.700 -0.031 0.000 0.755 76 E HN 0.319 nan 8.360 nan 0.000 0.453 77 L N 1.762 122.883 121.223 -0.170 0.000 2.093 77 L HA -0.080 4.259 4.340 -0.002 0.000 0.208 77 L C 2.060 178.747 176.870 -0.305 0.000 1.085 77 L CA 1.773 56.446 54.840 -0.277 0.000 0.755 77 L CB -0.445 41.351 42.059 -0.439 0.000 0.904 77 L HN 0.085 nan 8.230 nan 0.000 0.435 78 E N -0.930 119.096 120.200 -0.291 0.000 2.106 78 E HA -0.214 4.135 4.350 -0.002 0.000 0.192 78 E C 2.184 178.779 176.600 -0.009 0.000 0.984 78 E CA 0.617 56.933 56.400 -0.140 0.000 0.806 78 E CB -0.184 29.521 29.700 0.009 0.000 0.750 78 E HN 0.300 nan 8.360 nan 0.000 0.458 79 R N 1.266 121.771 120.500 0.009 0.000 2.148 79 R HA -0.072 4.266 4.340 -0.002 0.000 0.227 79 R C 1.952 178.305 176.300 0.089 0.000 1.103 79 R CA 0.980 57.124 56.100 0.073 0.000 0.983 79 R CB -0.024 30.321 30.300 0.074 0.000 0.874 79 R HN 0.120 nan 8.270 nan 0.000 0.451 80 R N -0.259 120.261 120.500 0.033 0.000 2.090 80 R HA -0.019 4.320 4.340 -0.002 0.000 0.228 80 R C 2.307 178.696 176.300 0.149 0.000 1.110 80 R CA 1.218 57.355 56.100 0.062 0.000 0.973 80 R CB -0.151 30.126 30.300 -0.038 0.000 0.869 80 R HN 0.223 nan 8.270 nan 0.000 0.440 81 I N -0.177 120.431 120.570 0.063 0.000 2.406 81 I HA -0.176 3.992 4.170 -0.002 0.000 0.249 81 I C 2.643 178.903 176.117 0.238 0.000 1.122 81 I CA 0.794 62.200 61.300 0.176 0.000 1.431 81 I CB -0.136 37.885 38.000 0.034 0.000 1.087 81 I HN 0.048 nan 8.210 nan 0.000 0.424 82 R N 0.640 121.240 120.500 0.167 0.000 2.092 82 R HA -0.128 4.211 4.340 -0.002 0.000 0.231 82 R C 2.305 178.705 176.300 0.166 0.000 1.119 82 R CA 1.705 57.905 56.100 0.166 0.000 0.970 82 R CB -0.091 30.293 30.300 0.141 0.000 0.864 82 R HN 0.155 nan 8.270 nan 0.000 0.440 83 S N 0.172 115.980 115.700 0.180 0.000 2.383 83 S HA -0.085 4.383 4.470 -0.002 0.000 0.227 83 S C 1.875 176.599 174.600 0.206 0.000 1.026 83 S CA 1.048 59.351 58.200 0.173 0.000 0.981 83 S CB -0.083 63.252 63.200 0.226 0.000 0.818 83 S HN 0.572 nan 8.310 nan 0.000 0.472 84 A N 1.231 124.198 122.820 0.246 0.000 1.930 84 A HA 0.024 4.343 4.320 -0.002 0.000 0.217 84 A C 2.015 179.747 177.584 0.248 0.000 1.175 84 A CA 0.976 53.144 52.037 0.218 0.000 0.627 84 A CB -0.577 18.505 19.000 0.138 0.000 0.815 84 A HN 0.489 nan 8.150 nan 0.000 0.443 85 I N -0.925 119.786 120.570 0.234 0.000 2.315 85 I HA -0.234 3.935 4.170 -0.002 0.000 0.248 85 I C 2.753 179.018 176.117 0.247 0.000 1.117 85 I CA 1.060 62.489 61.300 0.215 0.000 1.404 85 I CB -0.299 37.834 38.000 0.222 0.000 1.071 85 I HN 0.276 nan 8.210 nan 0.000 0.419 86 R N 0.021 120.668 120.500 0.246 0.000 2.073 86 R HA -0.222 4.117 4.340 -0.002 0.000 0.234 86 R C 2.254 178.661 176.300 0.180 0.000 1.134 86 R CA 1.909 58.127 56.100 0.196 0.000 0.952 86 R CB -0.614 29.623 30.300 -0.106 0.000 0.850 86 R HN 0.557 nan 8.270 nan 0.000 0.433 87 W N 2.343 123.657 121.300 0.023 0.000 2.354 87 W HA -0.206 4.453 4.660 -0.002 0.000 0.315 87 W C 1.234 177.779 176.519 0.043 0.000 1.206 87 W CA 1.421 58.786 57.345 0.034 0.000 1.290 87 W CB -0.343 29.144 29.460 0.045 0.000 1.152 87 W HN 0.104 nan 8.180 nan 0.000 0.489 88 N N 0.916 119.737 118.700 0.203 0.000 2.120 88 N HA -0.162 4.577 4.740 -0.002 0.000 0.188 88 N C 1.908 177.376 175.510 -0.069 0.000 1.024 88 N CA 2.283 55.388 53.050 0.092 0.000 0.852 88 N CB -1.088 37.486 38.487 0.144 0.000 1.003 88 N HN 0.205 nan 8.380 nan 0.000 0.424 89 A N 0.983 123.761 122.820 -0.070 0.000 1.883 89 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 89 A C 2.340 179.818 177.584 -0.177 0.000 1.186 89 A CA 1.083 53.020 52.037 -0.166 0.000 0.624 89 A CB -0.719 18.194 19.000 -0.146 0.000 0.822 89 A HN 0.238 nan 8.150 nan 0.000 0.444 90 I N -0.663 119.819 120.570 -0.146 0.000 2.315 90 I HA -0.236 3.933 4.170 -0.002 0.000 0.248 90 I C 2.473 178.411 176.117 -0.299 0.000 1.117 90 I CA 0.918 62.105 61.300 -0.190 0.000 1.404 90 I CB -0.177 37.714 38.000 -0.182 0.000 1.071 90 I HN 0.264 nan 8.210 nan 0.000 0.419 91 M N -0.347 119.006 119.600 -0.412 0.000 2.175 91 M HA -0.121 4.358 4.480 -0.002 0.000 0.264 91 M C 2.382 178.553 176.300 -0.215 0.000 1.063 91 M CA 1.654 56.695 55.300 -0.431 0.000 1.119 91 M CB -1.519 30.736 32.600 -0.575 0.000 1.377 91 M HN 0.193 nan 8.290 nan 0.000 0.415 92 T N 0.937 115.416 114.554 -0.125 0.000 2.674 92 T HA -0.087 4.262 4.350 -0.002 0.000 0.265 92 T C 2.075 176.617 174.700 -0.264 0.000 1.039 92 T CA 1.432 63.422 62.100 -0.183 0.000 1.150 92 T CB -0.310 68.290 68.868 -0.447 0.000 0.864 92 T HN 0.144 nan 8.240 nan 0.000 0.427 93 V N 1.338 121.073 119.914 -0.299 0.000 2.427 93 V HA -0.043 4.076 4.120 -0.002 0.000 0.248 93 V C 2.485 178.561 176.094 -0.030 0.000 1.051 93 V CA 1.182 63.411 62.300 -0.118 0.000 1.048 93 V CB -0.573 31.209 31.823 -0.069 0.000 0.666 93 V HN 0.427 nan 8.190 nan 0.000 0.456 94 L N -0.588 120.577 121.223 -0.097 0.000 2.056 94 L HA -0.133 4.205 4.340 -0.002 0.000 0.207 94 L C 2.837 179.661 176.870 -0.076 0.000 1.078 94 L CA 1.632 56.416 54.840 -0.093 0.000 0.749 94 L CB -0.552 41.410 42.059 -0.163 0.000 0.901 94 L HN 0.288 nan 8.230 nan 0.000 0.433 95 R N -0.232 120.211 120.500 -0.095 0.000 2.081 95 R HA -0.129 4.210 4.340 -0.002 0.000 0.235 95 R C 2.340 178.636 176.300 -0.005 0.000 1.131 95 R CA 1.335 57.391 56.100 -0.072 0.000 0.960 95 R CB -0.393 29.855 30.300 -0.086 0.000 0.856 95 R HN 0.320 nan 8.270 nan 0.000 0.436 96 A N 0.345 123.199 122.820 0.056 0.000 1.933 96 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 96 A C 2.239 179.856 177.584 0.054 0.000 1.175 96 A CA 1.655 53.755 52.037 0.105 0.000 0.628 96 A CB -0.491 18.678 19.000 0.283 0.000 0.814 96 A HN 0.241 nan 8.150 nan 0.000 0.444 97 S N -0.586 115.138 115.700 0.040 0.000 2.368 97 S HA -0.162 4.306 4.470 -0.002 0.000 0.225 97 S C 2.013 176.613 174.600 -0.001 0.000 1.030 97 S CA 1.626 59.837 58.200 0.017 0.000 0.999 97 S CB -0.273 62.931 63.200 0.006 0.000 0.844 97 S HN 0.611 nan 8.310 nan 0.000 0.459 98 K N 0.681 121.073 120.400 -0.013 0.000 2.160 98 K HA -0.142 4.176 4.320 -0.002 0.000 0.206 98 K C 1.999 178.590 176.600 -0.015 0.000 1.047 98 K CA 1.290 57.565 56.287 -0.020 0.000 0.930 98 K CB -0.154 32.326 32.500 -0.034 0.000 0.720 98 K HN 0.333 nan 8.250 nan 0.000 0.450 99 K N 0.592 120.986 120.400 -0.010 0.000 2.209 99 K HA -0.157 4.162 4.320 -0.002 0.000 0.204 99 K C 0.378 176.972 176.600 -0.011 0.000 1.048 99 K CA 1.030 57.310 56.287 -0.012 0.000 0.940 99 K CB -0.127 32.367 32.500 -0.010 0.000 0.729 99 K HN 0.088 nan 8.250 nan 0.000 0.451 100 D N -0.180 120.215 120.400 -0.007 0.000 2.699 100 D HA -0.172 4.467 4.640 -0.002 0.000 0.239 100 D C -0.528 175.768 176.300 -0.008 0.000 1.136 100 D CA 0.472 54.468 54.000 -0.007 0.000 0.668 100 D CB -1.112 39.683 40.800 -0.008 0.000 1.060 100 D HN 0.205 nan 8.370 nan 0.000 0.429 101 L N 0.410 121.628 121.223 -0.008 0.000 2.965 101 L HA 0.194 4.533 4.340 -0.002 0.000 0.254 101 L C 0.763 177.626 176.870 -0.011 0.000 1.220 101 L CA -0.346 54.487 54.840 -0.011 0.000 1.023 101 L CB 0.265 42.315 42.059 -0.014 0.000 1.355 101 L HN 0.013 nan 8.230 nan 0.000 0.545 102 E N 0.074 120.270 120.200 -0.008 0.000 2.586 102 E HA -0.246 4.103 4.350 -0.002 0.000 0.259 102 E C 1.111 177.703 176.600 -0.014 0.000 1.107 102 E CA 0.489 56.885 56.400 -0.007 0.000 0.754 102 E CB -1.632 28.065 29.700 -0.005 0.000 1.335 102 E HN 0.530 nan 8.360 nan 0.000 0.411 103 L N -0.918 120.294 121.223 -0.018 0.000 2.093 103 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 103 L C 1.604 178.448 176.870 -0.044 0.000 1.085 103 L CA 1.265 56.078 54.840 -0.045 0.000 0.755 103 L CB -0.614 41.416 42.059 -0.049 0.000 0.904 103 L HN 0.493 nan 8.230 nan 0.000 0.435 104 G N -0.621 108.180 108.800 0.002 0.000 2.741 104 G HA2 0.167 4.126 3.960 -0.002 0.000 0.222 104 G HA3 0.167 4.126 3.960 -0.002 0.000 0.222 104 G C -0.012 174.950 174.900 0.104 0.000 1.364 104 G CA -0.385 44.725 45.100 0.017 0.000 0.866 104 G HN 0.884 nan 8.290 nan 0.000 0.555 105 G N -1.710 107.162 108.800 0.121 0.000 2.348 105 G HA2 0.540 4.499 3.960 -0.002 0.000 0.606 105 G HA3 0.540 4.499 3.960 -0.002 0.000 0.606 105 G C -0.863 174.144 174.900 0.178 0.000 1.466 105 G CA 0.243 45.558 45.100 0.359 0.000 0.950 105 G HN 1.450 nan 8.290 nan 0.000 0.657 106 H N 0.575 119.814 119.070 0.281 0.000 2.616 106 H HA 0.726 5.281 4.556 -0.002 0.000 0.353 106 H C 0.795 176.234 175.328 0.184 0.000 1.170 106 H CA -0.746 55.446 56.048 0.240 0.000 1.212 106 H CB 2.133 32.089 29.762 0.324 0.000 1.653 106 H HN 0.461 nan 8.280 nan 0.000 0.537 107 M N -0.129 119.645 119.600 0.291 0.000 2.069 107 M HA 0.135 4.614 4.480 -0.002 0.000 0.208 107 M C 2.174 178.629 176.300 0.258 0.000 1.459 107 M CA 0.573 56.010 55.300 0.227 0.000 0.992 107 M CB 0.361 33.046 32.600 0.142 0.000 1.566 107 M HN 0.648 nan 8.290 nan 0.000 0.571 108 A N -0.117 122.850 122.820 0.244 0.000 1.978 108 A HA -0.160 4.159 4.320 -0.002 0.000 0.220 108 A C 2.124 179.860 177.584 0.253 0.000 1.170 108 A CA 2.435 54.614 52.037 0.237 0.000 0.636 108 A CB -0.792 18.334 19.000 0.210 0.000 0.810 108 A HN 0.449 nan 8.150 nan 0.000 0.448 109 S N -1.591 114.281 115.700 0.286 0.000 2.345 109 S HA -0.130 4.339 4.470 -0.002 0.000 0.220 109 S C 1.709 176.451 174.600 0.237 0.000 1.031 109 S CA 1.460 59.810 58.200 0.249 0.000 0.996 109 S CB -0.477 62.870 63.200 0.245 0.000 0.882 109 S HN 0.620 nan 8.310 nan 0.000 0.445 110 F N 2.417 122.440 119.950 0.121 0.000 2.250 110 F HA -0.044 4.482 4.527 -0.002 0.000 0.301 110 F C 2.400 178.294 175.800 0.157 0.000 1.077 110 F CA 1.399 59.468 58.000 0.115 0.000 1.348 110 F CB -0.427 38.607 39.000 0.057 0.000 1.040 110 F HN 0.219 nan 8.300 nan 0.000 0.509 111 Q N 0.051 119.917 119.800 0.110 0.000 2.170 111 Q HA -0.149 4.190 4.340 -0.002 0.000 0.203 111 Q C 2.534 178.633 176.000 0.165 0.000 0.976 111 Q CA 1.703 57.562 55.803 0.092 0.000 0.858 111 Q CB -0.623 28.253 28.738 0.229 0.000 0.907 111 Q HN 0.581 nan 8.270 nan 0.000 0.433 112 S N -0.785 115.015 115.700 0.166 0.000 2.496 112 S HA -0.008 4.461 4.470 -0.002 0.000 0.224 112 S C 1.715 176.289 174.600 -0.043 0.000 0.996 112 S CA 0.836 59.136 58.200 0.168 0.000 0.927 112 S CB 0.084 63.375 63.200 0.153 0.000 0.774 112 S HN 0.276 nan 8.310 nan 0.000 0.524 113 S N -0.082 115.588 115.700 -0.050 0.000 2.603 113 S HA 0.616 5.085 4.470 -0.002 0.000 0.232 113 S C 1.722 176.292 174.600 -0.050 0.000 1.016 113 S CA 0.127 58.304 58.200 -0.038 0.000 0.976 113 S CB 0.095 63.380 63.200 0.142 0.000 0.921 113 S HN 0.572 nan 8.310 nan 0.000 0.516 114 A N 2.666 125.252 122.820 -0.389 0.000 1.892 114 A HA -0.111 4.207 4.320 -0.002 0.000 0.218 114 A C 2.278 179.829 177.584 -0.056 0.000 1.188 114 A CA 2.490 54.194 52.037 -0.555 0.000 0.631 114 A CB -1.818 16.643 19.000 -0.898 0.000 0.822 114 A HN 0.544 nan 8.150 nan 0.000 0.447 115 T N 0.166 114.691 114.554 -0.047 0.000 2.833 115 T HA -0.072 4.277 4.350 -0.002 0.000 0.269 115 T C 1.726 176.443 174.700 0.028 0.000 1.054 115 T CA 1.449 63.565 62.100 0.027 0.000 1.135 115 T CB -0.419 68.463 68.868 0.023 0.000 0.869 115 T HN 0.463 nan 8.240 nan 0.000 0.466 116 I N -0.379 120.176 120.570 -0.025 0.000 2.252 116 I HA -0.133 4.036 4.170 -0.002 0.000 0.245 116 I C 2.070 178.095 176.117 -0.154 0.000 1.102 116 I CA 1.367 62.628 61.300 -0.065 0.000 1.385 116 I CB -0.346 37.620 38.000 -0.057 0.000 1.064 116 I HN 0.191 nan 8.210 nan 0.000 0.414 117 Y N 0.608 120.909 120.300 0.001 0.000 2.263 117 Y HA -0.245 4.304 4.550 -0.002 0.000 0.292 117 Y C 2.289 178.239 175.900 0.083 0.000 1.130 117 Y CA 1.538 59.630 58.100 -0.014 0.000 1.179 117 Y CB -0.515 38.107 38.460 0.269 0.000 0.998 117 Y HN 0.168 nan 8.280 nan 0.000 0.532 118 D N -0.436 120.146 120.400 0.302 0.000 2.104 118 D HA -0.166 4.473 4.640 -0.002 0.000 0.194 118 D C 2.194 178.601 176.300 0.177 0.000 0.994 118 D CA 1.283 55.446 54.000 0.273 0.000 0.830 118 D CB -0.142 40.782 40.800 0.207 0.000 0.959 118 D HN 0.082 nan 8.370 nan 0.000 0.452 119 V N -0.292 119.699 119.914 0.128 0.000 2.407 119 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 119 V C 2.666 178.802 176.094 0.070 0.000 1.055 119 V CA 1.438 63.885 62.300 0.244 0.000 1.049 119 V CB -0.381 31.624 31.823 0.305 0.000 0.662 119 V HN 0.435 nan 8.190 nan 0.000 0.455 120 C N -0.794 118.279 119.300 -0.378 0.000 2.446 120 C HA -0.101 4.358 4.460 -0.002 0.000 0.277 120 C C 2.486 176.987 174.990 -0.815 0.000 1.275 120 C CA 0.582 59.050 59.018 -0.918 0.000 1.727 120 C CB -1.195 25.235 27.740 -2.183 0.000 2.010 120 C HN 0.531 nan 8.230 nan 0.000 0.486 121 F N 1.643 121.318 119.950 -0.459 0.000 2.234 121 F HA -0.075 4.451 4.527 -0.002 0.000 0.299 121 F C 2.322 178.048 175.800 -0.124 0.000 1.087 121 F CA 1.304 59.242 58.000 -0.104 0.000 1.340 121 F CB -0.511 38.530 39.000 0.069 0.000 1.031 121 F HN 0.292 nan 8.300 nan 0.000 0.500 122 N N -1.416 117.257 118.700 -0.045 0.000 2.336 122 N HA -0.063 4.676 4.740 -0.002 0.000 0.177 122 N C 1.287 176.433 175.510 -0.607 0.000 1.018 122 N CA 1.121 53.965 53.050 -0.344 0.000 0.878 122 N CB -0.165 38.026 38.487 -0.493 0.000 0.997 122 N HN 0.343 nan 8.380 nan 0.000 0.433 123 H N -2.555 116.455 119.070 -0.100 0.000 3.058 123 H HA 0.261 4.816 4.556 -0.002 0.000 0.266 123 H C 0.431 175.351 175.328 -0.679 0.000 1.135 123 H CA 0.004 55.840 56.048 -0.355 0.000 1.174 123 H CB 0.565 30.107 29.762 -0.367 0.000 1.581 123 H HN 0.132 nan 8.280 nan 0.000 0.553 124 F N -0.615 119.302 119.950 -0.055 0.000 2.455 124 F HA 0.175 4.701 4.527 -0.002 0.000 0.278 124 F C 0.400 176.295 175.800 0.158 0.000 0.887 124 F CA -0.473 57.530 58.000 0.004 0.000 1.104 124 F CB 0.080 39.026 39.000 -0.089 0.000 0.949 124 F HN -0.183 nan 8.300 nan 0.000 0.750 125 F N 4.122 124.143 119.950 0.118 0.000 2.539 125 F HA 0.105 4.631 4.527 -0.002 0.000 0.393 125 F C 0.757 176.619 175.800 0.103 0.000 1.032 125 F CA -0.355 57.682 58.000 0.062 0.000 1.120 125 F CB -0.717 38.194 39.000 -0.148 0.000 1.014 125 F HN -0.190 nan 8.300 nan 0.000 0.546 126 R N 2.337 123.041 120.500 0.341 0.000 2.297 126 R HA 0.644 4.983 4.340 -0.002 0.000 0.308 126 R C 0.110 176.546 176.300 0.227 0.000 1.029 126 R CA -0.640 55.626 56.100 0.278 0.000 0.929 126 R CB 1.057 31.541 30.300 0.306 0.000 1.046 126 R HN 0.654 nan 8.270 nan 0.000 0.461 127 A N 2.678 125.624 122.820 0.210 0.000 2.271 127 A HA 0.290 4.609 4.320 -0.002 0.000 0.288 127 A C 0.033 177.679 177.584 0.103 0.000 1.094 127 A CA -0.650 51.472 52.037 0.141 0.000 0.828 127 A CB 0.459 19.522 19.000 0.105 0.000 1.091 127 A HN 0.824 nan 8.150 nan 0.000 0.493 128 R N 0.412 120.949 120.500 0.063 0.000 2.537 128 R HA 0.065 4.404 4.340 -0.002 0.000 0.281 128 R C -0.124 176.177 176.300 0.001 0.000 0.988 128 R CA 1.141 57.257 56.100 0.028 0.000 1.077 128 R CB -0.173 30.140 30.300 0.023 0.000 0.932 128 R HN 0.970 nan 8.270 nan 0.000 0.409 129 N N 0.568 119.236 118.700 -0.054 0.000 3.229 129 N HA 0.098 4.836 4.740 -0.002 0.000 0.315 129 N C -0.176 175.288 175.510 -0.075 0.000 1.520 129 N CA -0.792 52.195 53.050 -0.105 0.000 0.769 129 N CB 0.667 38.957 38.487 -0.329 0.000 1.766 129 N HN 0.577 nan 8.380 nan 0.000 0.618 130 E N -0.826 119.327 120.200 -0.078 0.000 2.153 130 E HA -0.246 4.103 4.350 -0.002 0.000 0.194 130 E C 1.014 177.588 176.600 -0.044 0.000 0.988 130 E CA 1.292 57.667 56.400 -0.042 0.000 0.811 130 E CB -0.233 29.448 29.700 -0.031 0.000 0.746 130 E HN 0.469 nan 8.360 nan 0.000 0.466 131 Q N 0.783 120.537 119.800 -0.077 0.000 2.204 131 Q HA 0.080 4.419 4.340 -0.002 0.000 0.198 131 Q C -0.281 175.693 176.000 -0.043 0.000 0.946 131 Q CA 1.508 57.276 55.803 -0.059 0.000 0.859 131 Q CB 0.437 29.130 28.738 -0.074 0.000 0.946 131 Q HN 0.557 nan 8.270 nan 0.000 0.474 132 D N -3.885 116.484 120.400 -0.052 0.000 2.643 132 D HA 0.341 4.980 4.640 -0.002 0.000 0.283 132 D C 0.322 176.616 176.300 -0.008 0.000 1.242 132 D CA -0.550 53.438 54.000 -0.021 0.000 0.863 132 D CB 0.162 40.952 40.800 -0.017 0.000 1.382 132 D HN -0.059 nan 8.370 nan 0.000 0.444 133 G N -0.972 107.841 108.800 0.021 0.000 2.807 133 G HA2 0.413 4.372 3.960 -0.002 0.000 0.207 133 G HA3 0.413 4.372 3.960 -0.002 0.000 0.207 133 G C 0.996 175.925 174.900 0.050 0.000 1.151 133 G CA 0.412 45.533 45.100 0.036 0.000 0.800 133 G HN 1.120 nan 8.290 nan 0.000 0.523 134 G N 0.024 108.849 108.800 0.043 0.000 2.698 134 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.233 134 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.233 134 G C -0.666 174.293 174.900 0.099 0.000 1.352 134 G CA -0.272 44.874 45.100 0.076 0.000 0.879 134 G HN 0.267 nan 8.290 nan 0.000 0.567 135 D N 0.526 121.003 120.400 0.128 0.000 2.389 135 D HA 0.413 5.052 4.640 -0.002 0.000 0.247 135 D C 0.759 177.125 176.300 0.110 0.000 1.128 135 D CA 0.186 54.267 54.000 0.136 0.000 0.884 135 D CB 0.802 41.753 40.800 0.252 0.000 1.194 135 D HN 0.473 nan 8.370 nan 0.000 0.441 136 L N 2.288 123.589 121.223 0.130 0.000 2.270 136 L HA 0.268 4.607 4.340 -0.002 0.000 0.286 136 L C -0.325 176.635 176.870 0.150 0.000 1.059 136 L CA -0.821 54.141 54.840 0.202 0.000 0.839 136 L CB 0.783 42.942 42.059 0.167 0.000 1.221 136 L HN -0.050 nan 8.230 nan 0.000 0.431 137 V N 3.335 123.291 119.914 0.071 0.000 2.383 137 V HA 0.162 4.281 4.120 -0.002 0.000 0.275 137 V C -0.431 175.659 176.094 -0.007 0.000 1.036 137 V CA -0.408 61.803 62.300 -0.149 0.000 0.889 137 V CB 0.839 32.042 31.823 -1.032 0.000 0.985 137 V HN 0.406 nan 8.190 nan 0.000 0.459 138 Y N 4.869 125.204 120.300 0.058 0.000 2.821 138 Y HA 0.444 4.992 4.550 -0.002 0.000 0.331 138 Y C 0.326 176.378 175.900 0.253 0.000 1.251 138 Y CA -0.991 57.222 58.100 0.188 0.000 1.494 138 Y CB -0.242 38.247 38.460 0.048 0.000 1.493 138 Y HN 0.512 nan 8.280 nan 0.000 0.496 139 F N 0.859 121.018 119.950 0.349 0.000 2.607 139 F HA -0.024 4.502 4.527 -0.002 0.000 0.374 139 F C 1.116 177.046 175.800 0.216 0.000 1.104 139 F CA 0.012 58.176 58.000 0.272 0.000 1.296 139 F CB 0.444 39.547 39.000 0.172 0.000 1.085 139 F HN 0.326 nan 8.300 nan 0.000 0.584 140 Q N 2.265 122.335 119.800 0.449 0.000 2.286 140 Q HA 0.049 4.388 4.340 -0.002 0.000 0.290 140 Q C 1.360 177.411 176.000 0.085 0.000 1.049 140 Q CA 0.339 56.282 55.803 0.233 0.000 0.923 140 Q CB 1.034 29.873 28.738 0.169 0.000 1.183 140 Q HN 0.968 nan 8.270 nan 0.000 0.383 141 G N 3.464 112.288 108.800 0.041 0.000 2.476 141 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.218 141 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.218 141 G C 0.882 175.787 174.900 0.009 0.000 1.164 141 G CA 1.064 46.117 45.100 -0.077 0.000 0.768 141 G HN 0.952 nan 8.290 nan 0.000 0.560 142 H N 0.547 119.528 119.070 -0.150 0.000 2.547 142 H HA 0.142 4.697 4.556 -0.002 0.000 0.274 142 H C 1.631 176.983 175.328 0.040 0.000 1.024 142 H CA 0.528 56.529 56.048 -0.078 0.000 1.155 142 H CB -0.450 28.975 29.762 -0.563 0.000 1.344 142 H HN 0.555 nan 8.280 nan 0.000 0.598 143 I N -1.055 119.449 120.570 -0.110 0.000 3.904 143 I HA 0.186 4.355 4.170 -0.002 0.000 0.333 143 I C 1.826 177.815 176.117 -0.213 0.000 1.361 143 I CA -0.077 61.189 61.300 -0.058 0.000 1.116 143 I CB 0.136 38.188 38.000 0.087 0.000 1.028 143 I HN 0.057 nan 8.210 nan 0.000 0.398 144 S N 1.421 117.038 115.700 -0.139 0.000 2.387 144 S HA -0.041 4.427 4.470 -0.002 0.000 0.230 144 S C -0.356 173.972 174.600 -0.453 0.000 1.035 144 S CA 1.174 59.207 58.200 -0.278 0.000 1.014 144 S CB -2.165 60.923 63.200 -0.187 0.000 0.836 144 S HN 0.371 nan 8.310 nan 0.000 0.466 145 P HA 0.027 nan 4.420 nan 0.000 0.218 145 P C 1.793 178.785 177.300 -0.514 0.000 1.148 145 P CA 1.634 64.551 63.100 -0.306 0.000 0.822 145 P CB -0.697 30.818 31.700 -0.308 0.000 0.784 146 G N -0.574 107.639 108.800 -0.979 0.000 2.403 146 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.216 146 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.216 146 G C 1.586 175.982 174.900 -0.841 0.000 1.154 146 G CA 0.381 44.458 45.100 -1.705 0.000 0.784 146 G HN 0.150 nan 8.290 nan 0.000 0.538 147 V N 0.057 119.581 119.914 -0.649 0.000 2.427 147 V HA -0.144 3.975 4.120 -0.002 0.000 0.248 147 V C 2.426 178.376 176.094 -0.240 0.000 1.051 147 V CA 1.183 63.222 62.300 -0.435 0.000 1.048 147 V CB -0.645 30.889 31.823 -0.482 0.000 0.666 147 V HN 0.368 nan 8.190 nan 0.000 0.456 148 Y N 0.682 120.856 120.300 -0.210 0.000 2.242 148 Y HA -0.056 4.493 4.550 -0.002 0.000 0.291 148 Y C 2.531 178.308 175.900 -0.205 0.000 1.137 148 Y CA 0.597 58.567 58.100 -0.216 0.000 1.181 148 Y CB -1.303 37.018 38.460 -0.231 0.000 0.989 148 Y HN 0.196 nan 8.280 nan 0.000 0.527 149 A N 0.214 122.980 122.820 -0.089 0.000 1.902 149 A HA -0.230 4.089 4.320 -0.002 0.000 0.217 149 A C 2.419 180.014 177.584 0.019 0.000 1.181 149 A CA 1.950 53.950 52.037 -0.062 0.000 0.623 149 A CB -0.695 18.239 19.000 -0.110 0.000 0.818 149 A HN 0.418 nan 8.150 nan 0.000 0.443 150 R N -0.453 119.999 120.500 -0.080 0.000 2.066 150 R HA -0.038 4.301 4.340 -0.002 0.000 0.232 150 R C 2.334 178.568 176.300 -0.109 0.000 1.131 150 R CA 1.465 57.491 56.100 -0.124 0.000 0.955 150 R CB -0.489 29.616 30.300 -0.325 0.000 0.851 150 R HN 0.391 nan 8.270 nan 0.000 0.432 151 A N 0.769 123.548 122.820 -0.069 0.000 1.917 151 A HA -0.235 4.084 4.320 -0.002 0.000 0.219 151 A C 2.031 179.596 177.584 -0.032 0.000 1.182 151 A CA 1.632 53.660 52.037 -0.015 0.000 0.633 151 A CB -0.934 18.162 19.000 0.161 0.000 0.819 151 A HN 0.599 nan 8.150 nan 0.000 0.448 152 F N 0.020 119.885 119.950 -0.141 0.000 2.102 152 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 152 F C 1.808 177.538 175.800 -0.116 0.000 1.105 152 F CA 1.830 59.732 58.000 -0.164 0.000 1.239 152 F CB -0.481 38.377 39.000 -0.237 0.000 0.991 152 F HN 0.162 nan 8.300 nan 0.000 0.474 153 L N 0.883 121.978 121.223 -0.213 0.000 2.127 153 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 153 L C 2.063 178.800 176.870 -0.221 0.000 1.089 153 L CA 1.880 56.567 54.840 -0.255 0.000 0.757 153 L CB -0.790 41.257 42.059 -0.020 0.000 0.899 153 L HN 0.224 nan 8.230 nan 0.000 0.434 154 E N -0.941 119.126 120.200 -0.222 0.000 2.511 154 E HA 0.087 4.436 4.350 -0.002 0.000 0.196 154 E C 1.226 177.721 176.600 -0.175 0.000 1.066 154 E CA 0.511 56.759 56.400 -0.253 0.000 0.871 154 E CB -0.117 29.369 29.700 -0.356 0.000 0.863 154 E HN 0.566 nan 8.360 nan 0.000 0.520 155 G N 1.602 110.261 108.800 -0.234 0.000 2.147 155 G HA2 -0.345 3.613 3.960 -0.002 0.000 0.244 155 G HA3 -0.345 3.613 3.960 -0.002 0.000 0.244 155 G C 0.804 175.600 174.900 -0.173 0.000 1.005 155 G CA 0.389 45.360 45.100 -0.216 0.000 0.713 155 G HN 0.255 nan 8.290 nan 0.000 0.515 156 R N -1.146 119.256 120.500 -0.163 0.000 2.254 156 R HA 0.379 4.718 4.340 -0.002 0.000 0.195 156 R C 0.881 177.146 176.300 -0.059 0.000 0.957 156 R CA 0.457 56.497 56.100 -0.099 0.000 1.024 156 R CB 0.365 30.626 30.300 -0.065 0.000 0.952 156 R HN 0.438 nan 8.270 nan 0.000 0.484 157 L N 0.335 121.526 121.223 -0.053 0.000 2.388 157 L HA 0.321 4.660 4.340 -0.002 0.000 0.264 157 L C 0.310 177.220 176.870 0.066 0.000 0.998 157 L CA -0.870 53.938 54.840 -0.054 0.000 0.817 157 L CB 2.293 44.281 42.059 -0.119 0.000 1.338 157 L HN -0.003 nan 8.230 nan 0.000 0.414 158 T N -2.386 112.181 114.554 0.022 0.000 2.862 158 T HA 0.170 4.519 4.350 -0.002 0.000 0.276 158 T C 0.593 175.325 174.700 0.054 0.000 0.974 158 T CA -0.334 61.819 62.100 0.088 0.000 0.966 158 T CB 1.476 70.350 68.868 0.010 0.000 1.072 158 T HN 0.695 nan 8.240 nan 0.000 0.538 159 Q N 0.176 120.024 119.800 0.080 0.000 2.119 159 Q HA -0.148 4.191 4.340 -0.002 0.000 0.201 159 Q C 2.145 178.063 176.000 -0.136 0.000 0.972 159 Q CA 1.954 57.675 55.803 -0.136 0.000 0.847 159 Q CB -0.354 28.439 28.738 0.091 0.000 0.903 159 Q HN 0.891 nan 8.270 nan 0.000 0.433 160 E N 0.234 120.401 120.200 -0.054 0.000 2.077 160 E HA -0.296 4.053 4.350 -0.002 0.000 0.193 160 E C 1.940 178.482 176.600 -0.097 0.000 0.989 160 E CA 1.464 57.834 56.400 -0.051 0.000 0.800 160 E CB -0.275 29.405 29.700 -0.033 0.000 0.746 160 E HN 0.601 nan 8.360 nan 0.000 0.452 161 Q N 0.459 120.176 119.800 -0.139 0.000 2.079 161 Q HA -0.048 4.291 4.340 -0.002 0.000 0.200 161 Q C 2.529 178.382 176.000 -0.245 0.000 0.974 161 Q CA 1.377 57.066 55.803 -0.189 0.000 0.840 161 Q CB -0.044 28.559 28.738 -0.226 0.000 0.898 161 Q HN 0.377 nan 8.270 nan 0.000 0.430 162 L N 0.575 121.593 121.223 -0.343 0.000 2.141 162 L HA -0.184 4.154 4.340 -0.002 0.000 0.209 162 L C 1.420 178.190 176.870 -0.166 0.000 1.094 162 L CA 0.764 55.348 54.840 -0.427 0.000 0.763 162 L CB -0.255 41.225 42.059 -0.965 0.000 0.908 162 L HN 0.181 nan 8.230 nan 0.000 0.437 163 D N -0.315 120.034 120.400 -0.085 0.000 2.347 163 D HA -0.077 4.562 4.640 -0.002 0.000 0.215 163 D C 1.142 177.448 176.300 0.009 0.000 0.976 163 D CA 0.673 54.691 54.000 0.030 0.000 0.884 163 D CB -0.023 40.801 40.800 0.040 0.000 0.915 163 D HN 0.211 nan 8.370 nan 0.000 0.526 164 N N 0.201 118.883 118.700 -0.030 0.000 2.273 164 N HA 0.004 4.743 4.740 -0.002 0.000 0.231 164 N C -0.241 175.251 175.510 -0.029 0.000 1.134 164 N CA -0.326 52.702 53.050 -0.036 0.000 0.856 164 N CB -0.058 38.390 38.487 -0.064 0.000 1.068 164 N HN 0.095 nan 8.380 nan 0.000 0.510 165 F N 2.441 122.297 119.950 -0.156 0.000 2.602 165 F HA 0.022 4.548 4.527 -0.002 0.000 0.385 165 F C 1.171 176.916 175.800 -0.090 0.000 1.063 165 F CA 0.178 58.081 58.000 -0.161 0.000 1.233 165 F CB 0.264 39.188 39.000 -0.126 0.000 1.067 165 F HN 0.133 nan 8.300 nan 0.000 0.564 166 R N 3.168 123.275 120.500 -0.656 0.000 3.776 166 R HA -0.210 4.129 4.340 -0.002 0.000 0.312 166 R C -0.798 175.356 176.300 -0.244 0.000 1.181 166 R CA 0.967 56.735 56.100 -0.553 0.000 0.836 166 R CB -1.838 28.017 30.300 -0.742 0.000 1.324 166 R HN 0.812 nan 8.270 nan 0.000 0.501 167 Q N -0.052 119.656 119.800 -0.154 0.000 3.021 167 Q HA 0.102 4.441 4.340 -0.002 0.000 0.234 167 Q C 0.009 175.988 176.000 -0.035 0.000 0.930 167 Q CA -0.251 55.513 55.803 -0.065 0.000 0.714 167 Q CB 1.192 29.906 28.738 -0.041 0.000 1.325 167 Q HN 0.360 nan 8.270 nan 0.000 0.473 168 E N -0.089 120.093 120.200 -0.030 0.000 2.340 168 E HA -0.001 4.348 4.350 -0.002 0.000 0.198 168 E C 1.489 178.088 176.600 -0.002 0.000 0.961 168 E CA 0.162 56.552 56.400 -0.017 0.000 0.905 168 E CB 0.383 30.069 29.700 -0.023 0.000 0.884 168 E HN 0.140 nan 8.360 nan 0.000 0.491 169 V N 1.816 121.725 119.914 -0.009 0.000 2.428 169 V HA -0.291 3.828 4.120 -0.002 0.000 0.255 169 V C 1.391 177.375 176.094 -0.182 0.000 1.080 169 V CA 2.251 64.496 62.300 -0.091 0.000 1.083 169 V CB -0.764 30.983 31.823 -0.127 0.000 0.665 169 V HN 0.365 nan 8.190 nan 0.000 0.461 170 H N -0.833 118.219 119.070 -0.030 0.000 2.526 170 H HA 0.391 4.946 4.556 -0.002 0.000 0.274 170 H C 1.659 176.970 175.328 -0.028 0.000 0.999 170 H CA 0.702 56.734 56.048 -0.027 0.000 1.157 170 H CB 0.253 29.998 29.762 -0.029 0.000 1.407 170 H HN 0.469 nan 8.280 nan 0.000 0.568 171 G N 0.573 109.395 108.800 0.038 0.000 2.234 171 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.235 171 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.235 171 G C 0.649 175.547 174.900 -0.003 0.000 0.997 171 G CA 0.174 45.281 45.100 0.012 0.000 0.623 171 G HN 0.514 nan 8.290 nan 0.000 0.514 172 N N 0.558 119.255 118.700 -0.005 0.000 2.553 172 N HA 0.449 5.188 4.740 -0.002 0.000 0.298 172 N C 0.731 176.199 175.510 -0.069 0.000 1.596 172 N CA 0.477 53.504 53.050 -0.039 0.000 0.910 172 N CB 0.316 38.783 38.487 -0.033 0.000 1.336 172 N HN 0.538 nan 8.380 nan 0.000 0.497 173 G N 0.131 108.887 108.800 -0.073 0.000 3.075 173 G HA2 0.707 4.665 3.960 -0.002 0.000 0.253 173 G HA3 0.707 4.665 3.960 -0.002 0.000 0.253 173 G C -0.996 173.805 174.900 -0.165 0.000 1.353 173 G CA -0.410 44.625 45.100 -0.108 0.000 1.051 173 G HN 0.104 nan 8.290 nan 0.000 0.553 174 L N 0.147 121.250 121.223 -0.200 0.000 2.408 174 L HA 0.430 4.769 4.340 -0.002 0.000 0.268 174 L C 0.142 176.949 176.870 -0.105 0.000 0.986 174 L CA -0.771 53.910 54.840 -0.266 0.000 0.820 174 L CB 2.324 43.969 42.059 -0.690 0.000 1.303 174 L HN 0.398 nan 8.230 nan 0.000 0.411 175 S N 0.049 115.811 115.700 0.103 0.000 2.579 175 S HA 0.036 4.505 4.470 -0.002 0.000 0.275 175 S C 1.245 175.885 174.600 0.067 0.000 1.345 175 S CA -0.087 58.190 58.200 0.128 0.000 1.031 175 S CB 1.419 64.792 63.200 0.289 0.000 0.892 175 S HN 0.852 nan 8.310 nan 0.000 0.529 176 S N 1.032 116.602 115.700 -0.215 0.000 2.368 176 S HA -0.077 4.391 4.470 -0.002 0.000 0.225 176 S C 0.090 174.356 174.600 -0.557 0.000 1.030 176 S CA 1.038 58.883 58.200 -0.590 0.000 0.999 176 S CB -0.499 62.107 63.200 -0.990 0.000 0.844 176 S HN 0.684 nan 8.310 nan 0.000 0.459 177 Y N 0.471 120.705 120.300 -0.110 0.000 2.665 177 Y HA 0.596 5.145 4.550 -0.002 0.000 0.336 177 Y C -3.023 172.225 175.900 -1.088 0.000 1.085 177 Y CA -3.329 54.465 58.100 -0.510 0.000 1.096 177 Y CB -0.115 38.073 38.460 -0.453 0.000 1.301 177 Y HN -0.178 nan 8.280 nan 0.000 0.493 178 P HA 0.087 nan 4.420 nan 0.000 0.263 178 P C -1.028 175.794 177.300 -0.797 0.000 1.276 178 P CA 0.699 62.776 63.100 -1.705 0.000 0.986 178 P CB -0.192 30.788 31.700 -1.199 0.000 1.105 179 H N 4.480 123.423 119.070 -0.212 0.000 2.791 179 H HA 0.204 4.758 4.556 -0.002 0.000 0.272 179 H C -1.863 173.564 175.328 0.165 0.000 1.188 179 H CA -2.148 53.923 56.048 0.038 0.000 1.436 179 H CB 1.201 31.003 29.762 0.066 0.000 1.467 179 H HN 0.214 nan 8.280 nan 0.000 0.500 180 P HA -0.206 nan 4.420 nan 0.000 0.216 180 P C 1.813 179.212 177.300 0.164 0.000 1.150 180 P CA 1.321 64.543 63.100 0.205 0.000 0.843 180 P CB 0.648 32.406 31.700 0.097 0.000 0.787 181 K N -0.504 119.974 120.400 0.130 0.000 2.103 181 K HA -0.140 4.178 4.320 -0.002 0.000 0.207 181 K C 1.725 178.376 176.600 0.085 0.000 1.048 181 K CA 1.521 57.854 56.287 0.075 0.000 0.930 181 K CB -1.094 31.413 32.500 0.012 0.000 0.716 181 K HN -0.038 nan 8.250 nan 0.000 0.444 182 L N -0.159 121.145 121.223 0.135 0.000 2.209 182 L HA 0.225 4.563 4.340 -0.002 0.000 0.207 182 L C 0.696 177.657 176.870 0.152 0.000 1.094 182 L CA 1.359 56.277 54.840 0.131 0.000 0.790 182 L CB -0.165 41.993 42.059 0.165 0.000 0.932 182 L HN 0.212 nan 8.230 nan 0.000 0.447 183 M N 0.767 120.505 119.600 0.230 0.000 2.126 183 M HA 0.239 4.718 4.480 -0.002 0.000 0.217 183 M C -1.767 174.661 176.300 0.213 0.000 0.873 183 M CA -1.104 54.329 55.300 0.221 0.000 0.707 183 M CB 1.726 34.521 32.600 0.325 0.000 1.515 183 M HN -0.188 nan 8.290 nan 0.000 0.369 184 P HA -0.090 nan 4.420 nan 0.000 0.236 184 P C 0.198 177.545 177.300 0.078 0.000 1.172 184 P CA 1.221 64.382 63.100 0.102 0.000 0.759 184 P CB 0.219 31.964 31.700 0.076 0.000 0.843 185 E N -3.084 117.171 120.200 0.092 0.000 2.583 185 E HA 0.157 4.506 4.350 -0.002 0.000 0.213 185 E C 0.657 177.303 176.600 0.078 0.000 0.989 185 E CA -0.210 56.229 56.400 0.065 0.000 0.991 185 E CB 0.190 29.925 29.700 0.059 0.000 1.040 185 E HN 0.186 nan 8.360 nan 0.000 0.481 186 F N -0.660 119.235 119.950 -0.092 0.000 2.423 186 F HA 0.277 4.803 4.527 -0.002 0.000 0.269 186 F C -0.229 175.415 175.800 -0.259 0.000 0.880 186 F CA -0.197 57.660 58.000 -0.239 0.000 1.134 186 F CB 0.461 39.239 39.000 -0.369 0.000 1.143 186 F HN -0.142 nan 8.300 nan 0.000 0.802 187 W N 1.998 123.399 121.300 0.168 0.000 2.237 187 W HA 0.373 5.032 4.660 -0.002 0.000 0.335 187 W C 1.022 177.442 176.519 -0.165 0.000 1.230 187 W CA -0.203 57.144 57.345 0.004 0.000 1.253 187 W CB 0.959 30.488 29.460 0.114 0.000 1.129 187 W HN 0.103 nan 8.180 nan 0.000 0.590 188 Q N 0.553 120.352 119.800 -0.001 0.000 2.586 188 Q HA 0.160 4.499 4.340 -0.002 0.000 0.243 188 Q C -0.626 174.904 176.000 -0.784 0.000 0.846 188 Q CA 0.280 55.734 55.803 -0.582 0.000 0.959 188 Q CB 0.649 28.720 28.738 -1.112 0.000 1.227 188 Q HN 0.306 nan 8.270 nan 0.000 0.611 189 F N 1.734 121.675 119.950 -0.015 0.000 2.460 189 F HA 0.405 4.931 4.527 -0.002 0.000 0.341 189 F C -2.385 173.403 175.800 -0.020 0.000 1.130 189 F CA -3.165 54.766 58.000 -0.115 0.000 0.962 189 F CB 1.110 39.757 39.000 -0.588 0.000 1.171 189 F HN -0.182 nan 8.300 nan 0.000 0.436 190 P HA 0.122 nan 4.420 nan 0.000 0.269 190 P C 0.688 178.087 177.300 0.164 0.000 1.263 190 P CA 0.101 63.285 63.100 0.139 0.000 0.813 190 P CB 0.474 32.304 31.700 0.216 0.000 0.868 191 T N -2.091 112.509 114.554 0.077 0.000 3.010 191 T HA 0.019 4.368 4.350 -0.002 0.000 0.257 191 T C 1.357 176.070 174.700 0.021 0.000 1.020 191 T CA 0.142 62.307 62.100 0.108 0.000 0.938 191 T CB -0.653 68.312 68.868 0.163 0.000 1.049 191 T HN 0.067 nan 8.240 nan 0.000 0.522 192 V N 0.332 120.199 119.914 -0.078 0.000 2.568 192 V HA -0.005 4.114 4.120 -0.002 0.000 0.253 192 V C 1.669 177.703 176.094 -0.101 0.000 1.072 192 V CA 1.115 63.293 62.300 -0.204 0.000 1.084 192 V CB -1.317 30.205 31.823 -0.501 0.000 0.676 192 V HN 0.494 nan 8.190 nan 0.000 0.469 193 S N 2.753 118.459 115.700 0.011 0.000 2.494 193 S HA 0.337 4.806 4.470 -0.002 0.000 0.312 193 S C 0.430 175.042 174.600 0.020 0.000 1.121 193 S CA -0.566 57.650 58.200 0.026 0.000 1.068 193 S CB -0.709 62.541 63.200 0.083 0.000 1.141 193 S HN 0.386 nan 8.310 nan 0.000 0.527 194 M N 3.520 123.114 119.600 -0.011 0.000 2.234 194 M HA 0.091 4.570 4.480 -0.002 0.000 0.326 194 M C 1.748 178.054 176.300 0.009 0.000 1.077 194 M CA 1.449 56.748 55.300 -0.002 0.000 1.052 194 M CB -1.169 31.421 32.600 -0.016 0.000 1.607 194 M HN 0.910 nan 8.290 nan 0.000 0.445 195 G N 1.681 110.484 108.800 0.006 0.000 2.358 195 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.224 195 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.224 195 G C 0.749 175.662 174.900 0.021 0.000 1.073 195 G CA 0.322 45.427 45.100 0.008 0.000 0.635 195 G HN 0.613 nan 8.290 nan 0.000 0.509 196 L N 1.332 122.579 121.223 0.041 0.000 2.156 196 L HA 0.182 4.521 4.340 -0.002 0.000 0.208 196 L C 3.064 179.975 176.870 0.068 0.000 1.095 196 L CA 1.436 56.314 54.840 0.065 0.000 0.770 196 L CB -0.842 41.275 42.059 0.097 0.000 0.914 196 L HN 0.400 nan 8.230 nan 0.000 0.439 197 G N 1.295 110.131 108.800 0.061 0.000 2.433 197 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.216 197 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.216 197 G C -0.499 174.307 174.900 -0.156 0.000 1.186 197 G CA 0.685 45.812 45.100 0.045 0.000 0.779 197 G HN 0.309 nan 8.290 nan 0.000 0.543 198 P HA -0.079 nan 4.420 nan 0.000 0.215 198 P C 1.989 179.370 177.300 0.135 0.000 1.153 198 P CA 0.845 63.828 63.100 -0.195 0.000 0.853 198 P CB -0.014 31.545 31.700 -0.235 0.000 0.788 199 I N -0.362 120.277 120.570 0.114 0.000 2.406 199 I HA -0.030 4.139 4.170 -0.002 0.000 0.249 199 I C 2.314 178.546 176.117 0.192 0.000 1.122 199 I CA 1.518 62.938 61.300 0.200 0.000 1.431 199 I CB -0.735 37.359 38.000 0.156 0.000 1.087 199 I HN -0.116 nan 8.210 nan 0.000 0.424 200 G N 0.137 108.969 108.800 0.053 0.000 2.422 200 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.218 200 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.218 200 G C 1.706 176.526 174.900 -0.134 0.000 1.146 200 G CA 0.689 45.811 45.100 0.036 0.000 0.769 200 G HN 0.543 nan 8.290 nan 0.000 0.547 201 A N 0.703 123.233 122.820 -0.484 0.000 1.897 201 A HA 0.131 4.450 4.320 -0.002 0.000 0.215 201 A C 2.370 179.851 177.584 -0.172 0.000 1.181 201 A CA 1.008 52.633 52.037 -0.687 0.000 0.620 201 A CB -0.305 18.205 19.000 -0.817 0.000 0.821 201 A HN 0.355 nan 8.150 nan 0.000 0.443 202 I N -1.802 118.766 120.570 -0.003 0.000 2.163 202 I HA -0.310 3.858 4.170 -0.002 0.000 0.243 202 I C 2.235 178.214 176.117 -0.231 0.000 1.085 202 I CA 1.642 62.893 61.300 -0.081 0.000 1.347 202 I CB -0.387 37.574 38.000 -0.065 0.000 1.044 202 I HN 0.417 nan 8.210 nan 0.000 0.408 203 Y N 0.060 120.350 120.300 -0.015 0.000 2.516 203 Y HA -0.191 4.358 4.550 -0.002 0.000 0.291 203 Y C 2.584 178.507 175.900 0.038 0.000 1.131 203 Y CA 0.855 58.958 58.100 0.005 0.000 1.281 203 Y CB -0.216 38.234 38.460 -0.015 0.000 1.013 203 Y HN 0.198 nan 8.280 nan 0.000 0.554 204 Q N 0.554 120.417 119.800 0.104 0.000 2.096 204 Q HA -0.059 4.279 4.340 -0.002 0.000 0.197 204 Q C 2.328 178.389 176.000 0.102 0.000 0.964 204 Q CA 1.622 57.500 55.803 0.124 0.000 0.838 204 Q CB -0.417 28.370 28.738 0.081 0.000 0.906 204 Q HN 0.330 nan 8.270 nan 0.000 0.444 205 A N 0.656 123.474 122.820 -0.002 0.000 1.933 205 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 205 A C 2.074 179.636 177.584 -0.037 0.000 1.175 205 A CA 1.818 53.825 52.037 -0.050 0.000 0.628 205 A CB -0.596 18.328 19.000 -0.127 0.000 0.814 205 A HN 0.406 nan 8.150 nan 0.000 0.444 206 K N -1.756 118.625 120.400 -0.031 0.000 2.057 206 K HA -0.104 4.215 4.320 -0.002 0.000 0.206 206 K C 1.708 178.374 176.600 0.110 0.000 1.050 206 K CA 1.439 57.735 56.287 0.014 0.000 0.935 206 K CB -0.297 32.175 32.500 -0.047 0.000 0.715 206 K HN 0.374 nan 8.250 nan 0.000 0.439 207 F N 1.367 121.314 119.950 -0.005 0.000 2.293 207 F HA -0.046 4.480 4.527 -0.002 0.000 0.300 207 F C 1.464 177.289 175.800 0.042 0.000 1.086 207 F CA 0.987 58.986 58.000 -0.002 0.000 1.375 207 F CB 0.073 39.064 39.000 -0.015 0.000 1.045 207 F HN -0.024 nan 8.300 nan 0.000 0.516 208 L N -0.308 120.926 121.223 0.018 0.000 2.093 208 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 208 L C 2.496 179.257 176.870 -0.181 0.000 1.085 208 L CA 0.988 55.779 54.840 -0.082 0.000 0.755 208 L CB -0.633 41.413 42.059 -0.020 0.000 0.904 208 L HN -0.056 nan 8.230 nan 0.000 0.435 209 K N -0.365 119.942 120.400 -0.154 0.000 2.097 209 K HA -0.210 4.109 4.320 -0.002 0.000 0.206 209 K C 1.996 178.404 176.600 -0.320 0.000 1.049 209 K CA 1.395 57.524 56.287 -0.263 0.000 0.933 209 K CB -0.568 31.841 32.500 -0.151 0.000 0.717 209 K HN 0.266 nan 8.250 nan 0.000 0.442 210 Y N 1.355 121.422 120.300 -0.389 0.000 2.128 210 Y HA -0.238 4.310 4.550 -0.002 0.000 0.284 210 Y C 1.960 177.529 175.900 -0.552 0.000 1.154 210 Y CA 1.227 58.927 58.100 -0.666 0.000 1.149 210 Y CB -0.299 37.634 38.460 -0.878 0.000 0.976 210 Y HN -0.127 nan 8.280 nan 0.000 0.505 211 L N 1.004 121.899 121.223 -0.547 0.000 2.042 211 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 211 L C 2.516 179.180 176.870 -0.343 0.000 1.076 211 L CA 2.023 56.567 54.840 -0.493 0.000 0.749 211 L CB -1.303 40.527 42.059 -0.382 0.000 0.893 211 L HN 0.408 nan 8.230 nan 0.000 0.432 212 E N -1.194 118.831 120.200 -0.292 0.000 2.017 212 E HA -0.228 4.120 4.350 -0.002 0.000 0.193 212 E C 2.156 178.684 176.600 -0.122 0.000 0.997 212 E CA 1.367 57.644 56.400 -0.206 0.000 0.804 212 E CB -0.121 29.436 29.700 -0.238 0.000 0.757 212 E HN 0.628 nan 8.360 nan 0.000 0.448 213 H N -0.513 118.486 119.070 -0.118 0.000 2.387 213 H HA -0.038 4.517 4.556 -0.001 0.000 0.299 213 H C 2.080 177.326 175.328 -0.137 0.000 1.099 213 H CA 0.841 56.852 56.048 -0.061 0.000 1.315 213 H CB 0.184 30.019 29.762 0.122 0.000 1.380 213 H HN 0.013 nan 8.280 nan 0.000 0.513 214 R N 0.081 120.471 120.500 -0.184 0.000 2.276 214 R HA 0.007 4.346 4.340 -0.002 0.000 0.203 214 R C 1.144 177.343 176.300 -0.169 0.000 1.017 214 R CA 0.732 56.674 56.100 -0.265 0.000 1.010 214 R CB 0.237 30.197 30.300 -0.568 0.000 0.900 214 R HN 0.515 nan 8.270 nan 0.000 0.469 215 G N 1.025 109.745 108.800 -0.134 0.000 2.147 215 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.244 215 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.244 215 G C 0.544 175.380 174.900 -0.106 0.000 1.005 215 G CA -0.096 44.948 45.100 -0.093 0.000 0.713 215 G HN 0.171 nan 8.290 nan 0.000 0.515 216 L N -0.330 120.803 121.223 -0.151 0.000 2.127 216 L HA 0.452 4.791 4.340 -0.002 0.000 0.203 216 L C 1.400 178.214 176.870 -0.093 0.000 1.080 216 L CA 2.160 56.923 54.840 -0.128 0.000 0.768 216 L CB -0.198 41.757 42.059 -0.174 0.000 0.924 216 L HN 0.535 nan 8.230 nan 0.000 0.444 217 K N -0.474 119.862 120.400 -0.107 0.000 2.557 217 K HA 0.094 4.413 4.320 -0.002 0.000 0.261 217 K C -1.568 174.983 176.600 -0.082 0.000 0.932 217 K CA -0.590 55.652 56.287 -0.075 0.000 0.829 217 K CB 1.703 34.168 32.500 -0.058 0.000 1.358 217 K HN -0.203 nan 8.250 nan 0.000 0.430 218 D N 2.511 122.876 120.400 -0.058 0.000 2.374 218 D HA 0.069 4.707 4.640 -0.002 0.000 0.240 218 D C 0.482 176.750 176.300 -0.053 0.000 1.229 218 D CA 0.024 53.990 54.000 -0.057 0.000 0.895 218 D CB 0.885 41.662 40.800 -0.039 0.000 1.046 218 D HN 0.533 nan 8.370 nan 0.000 0.498 219 T N -0.583 113.928 114.554 -0.071 0.000 3.145 219 T HA 0.005 4.354 4.350 -0.002 0.000 0.255 219 T C 1.685 176.352 174.700 -0.055 0.000 1.039 219 T CA 0.209 62.274 62.100 -0.058 0.000 0.928 219 T CB -0.227 68.598 68.868 -0.073 0.000 1.029 219 T HN 0.216 nan 8.240 nan 0.000 0.554 220 S N 2.324 117.990 115.700 -0.056 0.000 2.440 220 S HA -0.113 4.356 4.470 -0.002 0.000 0.238 220 S C 1.606 176.191 174.600 -0.026 0.000 1.010 220 S CA 0.477 58.647 58.200 -0.049 0.000 0.972 220 S CB -0.526 62.650 63.200 -0.040 0.000 0.774 220 S HN 0.663 nan 8.310 nan 0.000 0.501 221 K N 0.768 121.162 120.400 -0.010 0.000 2.374 221 K HA 0.215 4.534 4.320 -0.002 0.000 0.196 221 K C 0.119 176.738 176.600 0.032 0.000 1.023 221 K CA 0.022 56.320 56.287 0.018 0.000 1.103 221 K CB 0.175 32.692 32.500 0.029 0.000 0.848 221 K HN 0.520 nan 8.250 nan 0.000 0.528 222 Q N 1.172 120.977 119.800 0.008 0.000 2.257 222 Q HA 0.212 4.551 4.340 -0.002 0.000 0.255 222 Q C -0.742 175.242 176.000 -0.027 0.000 0.920 222 Q CA -0.096 55.717 55.803 0.016 0.000 0.927 222 Q CB 1.850 30.597 28.738 0.015 0.000 1.229 222 Q HN -0.089 nan 8.270 nan 0.000 0.433 223 T N 1.523 116.053 114.554 -0.040 0.000 2.856 223 T HA 0.416 4.765 4.350 -0.002 0.000 0.283 223 T C -0.530 174.031 174.700 -0.232 0.000 1.008 223 T CA -0.549 61.432 62.100 -0.199 0.000 0.997 223 T CB 1.346 70.013 68.868 -0.335 0.000 0.992 223 T HN 0.238 nan 8.240 nan 0.000 0.454 224 V N 3.843 123.602 119.914 -0.259 0.000 2.370 224 V HA 0.403 4.522 4.120 -0.002 0.000 0.279 224 V C -1.148 174.829 176.094 -0.196 0.000 1.029 224 V CA -0.717 61.509 62.300 -0.124 0.000 0.870 224 V CB 0.437 32.222 31.823 -0.063 0.000 0.984 224 V HN 0.775 nan 8.190 nan 0.000 0.451 225 Y N 2.729 123.095 120.300 0.110 0.000 2.335 225 Y HA 0.695 5.244 4.550 -0.001 0.000 0.338 225 Y C 0.388 176.374 175.900 0.142 0.000 0.977 225 Y CA -0.679 57.490 58.100 0.114 0.000 1.114 225 Y CB 1.965 40.560 38.460 0.225 0.000 1.182 225 Y HN 0.662 nan 8.280 nan 0.000 0.463 226 A N 4.566 127.483 122.820 0.161 0.000 2.267 226 A HA 0.636 4.954 4.320 -0.002 0.000 0.315 226 A C -1.455 176.067 177.584 -0.103 0.000 1.297 226 A CA -0.500 51.542 52.037 0.008 0.000 0.865 226 A CB -0.252 18.552 19.000 -0.326 0.000 1.165 226 A HN 0.607 nan 8.150 nan 0.000 0.513 227 F N 3.184 123.157 119.950 0.039 0.000 2.390 227 F HA 0.482 5.008 4.527 -0.002 0.000 0.361 227 F C 0.210 176.003 175.800 -0.011 0.000 1.124 227 F CA 0.047 58.060 58.000 0.023 0.000 1.149 227 F CB 0.863 39.941 39.000 0.129 0.000 1.160 227 F HN 0.403 nan 8.300 nan 0.000 0.501 228 L N 2.262 123.471 121.223 -0.024 0.000 2.304 228 L HA 0.870 5.209 4.340 -0.002 0.000 0.268 228 L C 0.560 177.430 176.870 -0.000 0.000 1.010 228 L CA -1.160 53.649 54.840 -0.052 0.000 0.813 228 L CB 1.403 43.327 42.059 -0.225 0.000 1.315 228 L HN 0.566 nan 8.230 nan 0.000 0.445 229 G N -0.968 107.847 108.800 0.025 0.000 2.441 229 G HA2 0.384 4.343 3.960 -0.002 0.000 0.334 229 G HA3 0.384 4.343 3.960 -0.002 0.000 0.334 229 G C -0.130 174.774 174.900 0.007 0.000 1.161 229 G CA -0.327 44.804 45.100 0.051 0.000 0.935 229 G HN 0.756 nan 8.290 nan 0.000 0.488 230 D N 0.036 120.441 120.400 0.007 0.000 2.234 230 D HA -0.035 4.604 4.640 -0.002 0.000 0.205 230 D C 2.132 178.438 176.300 0.009 0.000 0.962 230 D CA 1.003 54.998 54.000 -0.008 0.000 0.855 230 D CB -0.629 40.164 40.800 -0.013 0.000 0.951 230 D HN 0.482 nan 8.370 nan 0.000 0.500 231 G N 0.759 109.575 108.800 0.026 0.000 2.408 231 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.217 231 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.217 231 G C 1.446 176.355 174.900 0.015 0.000 1.150 231 G CA 0.699 45.814 45.100 0.025 0.000 0.776 231 G HN 0.466 nan 8.290 nan 0.000 0.542 232 E N -0.139 120.071 120.200 0.016 0.000 2.204 232 E HA -0.138 4.211 4.350 -0.002 0.000 0.195 232 E C 2.211 178.810 176.600 -0.002 0.000 0.990 232 E CA 0.762 57.166 56.400 0.006 0.000 0.821 232 E CB -0.131 29.576 29.700 0.011 0.000 0.750 232 E HN 0.255 nan 8.360 nan 0.000 0.477 233 M N 1.039 120.638 119.600 -0.001 0.000 2.539 233 M HA -0.092 4.387 4.480 -0.002 0.000 0.261 233 M C 0.951 177.258 176.300 0.011 0.000 1.069 233 M CA 1.032 56.339 55.300 0.013 0.000 1.081 233 M CB -0.648 31.971 32.600 0.032 0.000 1.412 233 M HN 0.057 nan 8.290 nan 0.000 0.482 234 D N 0.449 120.852 120.400 0.005 0.000 2.224 234 D HA -0.039 4.599 4.640 -0.002 0.000 0.205 234 D C 0.497 176.795 176.300 -0.003 0.000 0.965 234 D CA 0.543 54.544 54.000 0.001 0.000 0.852 234 D CB 0.141 40.942 40.800 0.002 0.000 0.947 234 D HN 0.262 nan 8.370 nan 0.000 0.494 235 E N 0.739 120.937 120.200 -0.002 0.000 2.465 235 E HA -0.029 4.320 4.350 -0.002 0.000 0.260 235 E C -1.612 174.985 176.600 -0.006 0.000 0.980 235 E CA -1.054 55.344 56.400 -0.003 0.000 0.927 235 E CB 0.751 30.450 29.700 -0.001 0.000 0.934 235 E HN 0.113 nan 8.360 nan 0.000 0.459 236 P HA -0.161 nan 4.420 nan 0.000 0.217 236 P C 0.578 177.872 177.300 -0.012 0.000 1.148 236 P CA 1.234 64.325 63.100 -0.015 0.000 0.828 236 P CB 0.343 32.033 31.700 -0.016 0.000 0.783 237 E N -1.216 118.983 120.200 -0.000 0.000 2.347 237 E HA -0.046 4.303 4.350 -0.002 0.000 0.196 237 E C 1.986 178.605 176.600 0.032 0.000 1.008 237 E CA 0.732 57.140 56.400 0.014 0.000 0.852 237 E CB -0.650 29.060 29.700 0.016 0.000 0.783 237 E HN 0.169 nan 8.360 nan 0.000 0.505 238 S N 0.435 116.147 115.700 0.020 0.000 2.371 238 S HA -0.042 4.427 4.470 -0.002 0.000 0.224 238 S C 1.431 176.071 174.600 0.066 0.000 1.029 238 S CA 1.076 59.300 58.200 0.039 0.000 0.978 238 S CB 0.057 63.267 63.200 0.016 0.000 0.833 238 S HN 0.174 nan 8.310 nan 0.000 0.466 239 K N 0.160 120.545 120.400 -0.025 0.000 2.374 239 K HA 0.222 4.541 4.320 -0.002 0.000 0.202 239 K C 1.849 178.355 176.600 -0.157 0.000 1.040 239 K CA 0.263 56.446 56.287 -0.173 0.000 1.085 239 K CB 0.397 32.756 32.500 -0.234 0.000 0.873 239 K HN 0.304 nan 8.250 nan 0.000 0.539 240 G N 1.345 110.106 108.800 -0.065 0.000 2.448 240 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.219 240 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.219 240 G C 1.186 176.071 174.900 -0.026 0.000 1.127 240 G CA 0.976 46.048 45.100 -0.046 0.000 0.766 240 G HN 0.303 nan 8.290 nan 0.000 0.552 241 A N 0.228 123.051 122.820 0.005 0.000 2.571 241 A HA 0.419 4.738 4.320 -0.002 0.000 0.274 241 A C 1.893 179.484 177.584 0.012 0.000 1.196 241 A CA 0.184 52.253 52.037 0.052 0.000 0.957 241 A CB -0.119 18.995 19.000 0.190 0.000 1.150 241 A HN 0.493 nan 8.150 nan 0.000 0.539 242 I N -1.683 118.834 120.570 -0.088 0.000 2.567 242 I HA -0.161 4.008 4.170 -0.002 0.000 0.257 242 I C 2.022 178.223 176.117 0.140 0.000 1.184 242 I CA 1.961 63.211 61.300 -0.084 0.000 1.451 242 I CB -0.997 36.567 38.000 -0.727 0.000 1.089 242 I HN 0.237 nan 8.210 nan 0.000 0.441 243 T N -0.567 113.994 114.554 0.012 0.000 3.007 243 T HA -0.002 4.347 4.350 -0.002 0.000 0.270 243 T C 1.804 176.513 174.700 0.015 0.000 1.107 243 T CA 0.649 62.771 62.100 0.037 0.000 1.118 243 T CB -0.453 68.406 68.868 -0.015 0.000 0.889 243 T HN 0.290 nan 8.240 nan 0.000 0.506 244 I N 2.248 122.813 120.570 -0.007 0.000 2.394 244 I HA 0.041 4.210 4.170 -0.002 0.000 0.251 244 I C 2.945 178.979 176.117 -0.138 0.000 1.136 244 I CA 0.648 61.903 61.300 -0.075 0.000 1.425 244 I CB -1.743 36.180 38.000 -0.129 0.000 1.079 244 I HN 0.395 nan 8.210 nan 0.000 0.425 245 A N -0.000 122.742 122.820 -0.129 0.000 2.014 245 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 245 A C 2.401 179.766 177.584 -0.364 0.000 1.163 245 A CA 1.876 53.723 52.037 -0.316 0.000 0.652 245 A CB -0.733 17.956 19.000 -0.519 0.000 0.808 245 A HN 0.390 nan 8.150 nan 0.000 0.449 246 T N -0.745 113.670 114.554 -0.232 0.000 2.852 246 T HA -0.034 4.315 4.350 -0.002 0.000 0.256 246 T C 2.074 176.690 174.700 -0.141 0.000 1.038 246 T CA 0.983 62.964 62.100 -0.199 0.000 1.141 246 T CB -0.172 68.650 68.868 -0.076 0.000 0.869 246 T HN 0.462 nan 8.240 nan 0.000 0.439 247 R N 1.228 121.667 120.500 -0.102 0.000 2.096 247 R HA -0.079 4.260 4.340 -0.002 0.000 0.240 247 R C 1.827 178.066 176.300 -0.101 0.000 1.139 247 R CA 1.252 57.301 56.100 -0.085 0.000 0.952 247 R CB -0.150 30.111 30.300 -0.065 0.000 0.854 247 R HN 0.406 nan 8.270 nan 0.000 0.436 248 E N 0.768 120.896 120.200 -0.119 0.000 2.437 248 E HA 0.017 4.366 4.350 -0.002 0.000 0.189 248 E C -0.352 176.173 176.600 -0.125 0.000 1.054 248 E CA -0.017 56.318 56.400 -0.107 0.000 0.874 248 E CB 0.311 29.956 29.700 -0.092 0.000 1.011 248 E HN 0.197 nan 8.360 nan 0.000 0.474 249 K N 0.982 121.283 120.400 -0.164 0.000 3.490 249 K HA -0.177 4.142 4.320 -0.002 0.000 0.273 249 K C -0.292 176.181 176.600 -0.212 0.000 0.916 249 K CA 0.218 56.393 56.287 -0.187 0.000 0.718 249 K CB -1.691 30.733 32.500 -0.127 0.000 1.477 249 K HN 0.208 nan 8.250 nan 0.000 0.452 250 L N 2.163 123.211 121.223 -0.293 0.000 2.384 250 L HA 0.041 4.380 4.340 -0.002 0.000 0.258 250 L C 0.826 177.489 176.870 -0.345 0.000 1.266 250 L CA -0.245 54.416 54.840 -0.298 0.000 1.162 250 L CB -0.237 41.620 42.059 -0.336 0.000 1.375 250 L HN 0.317 nan 8.230 nan 0.000 0.420 251 D N -0.831 119.413 120.400 -0.259 0.000 2.323 251 D HA -0.097 4.541 4.640 -0.002 0.000 0.239 251 D C 0.976 177.147 176.300 -0.215 0.000 1.129 251 D CA 0.014 53.867 54.000 -0.245 0.000 0.865 251 D CB -0.092 40.600 40.800 -0.180 0.000 0.913 251 D HN 0.416 nan 8.370 nan 0.000 0.517 252 N N 0.223 118.790 118.700 -0.221 0.000 2.204 252 N HA 0.091 4.830 4.740 -0.002 0.000 0.219 252 N C -0.402 174.963 175.510 -0.242 0.000 1.151 252 N CA -0.470 52.461 53.050 -0.198 0.000 0.867 252 N CB 0.323 38.720 38.487 -0.151 0.000 1.043 252 N HN 0.232 nan 8.380 nan 0.000 0.516 253 L N 0.375 121.426 121.223 -0.287 0.000 2.356 253 L HA 0.643 4.982 4.340 -0.002 0.000 0.277 253 L C -1.456 175.258 176.870 -0.261 0.000 0.996 253 L CA -0.787 53.891 54.840 -0.271 0.000 0.822 253 L CB 2.156 44.035 42.059 -0.300 0.000 1.256 253 L HN -0.147 nan 8.230 nan 0.000 0.413 254 V N 5.424 125.249 119.914 -0.149 0.000 2.483 254 V HA 0.460 4.579 4.120 -0.002 0.000 0.297 254 V C -0.801 175.440 176.094 0.244 0.000 1.027 254 V CA -0.421 61.863 62.300 -0.027 0.000 0.855 254 V CB 1.498 33.284 31.823 -0.062 0.000 0.995 254 V HN 0.499 nan 8.190 nan 0.000 0.424 255 F N 4.053 124.010 119.950 0.012 0.000 2.405 255 F HA 0.540 5.066 4.527 -0.002 0.000 0.355 255 F C 0.249 175.885 175.800 -0.273 0.000 1.121 255 F CA -1.084 56.870 58.000 -0.077 0.000 1.112 255 F CB 1.861 40.828 39.000 -0.054 0.000 1.126 255 F HN 0.186 nan 8.300 nan 0.000 0.481 256 V N 6.593 126.332 119.914 -0.291 0.000 2.257 256 V HA 0.313 4.431 4.120 -0.002 0.000 0.269 256 V C 0.183 176.077 176.094 -0.335 0.000 1.040 256 V CA -0.570 61.467 62.300 -0.439 0.000 0.813 256 V CB 0.548 31.857 31.823 -0.857 0.000 1.065 256 V HN 0.442 nan 8.190 nan 0.000 0.457 257 I N 3.700 124.103 120.570 -0.279 0.000 2.312 257 I HA 0.279 4.448 4.170 -0.002 0.000 0.291 257 I C 0.453 176.475 176.117 -0.158 0.000 1.031 257 I CA -0.227 60.944 61.300 -0.215 0.000 1.293 257 I CB 0.912 38.764 38.000 -0.248 0.000 1.403 257 I HN 0.449 nan 8.210 nan 0.000 0.484 258 N N 6.578 125.228 118.700 -0.083 0.000 2.415 258 N HA 0.102 4.841 4.740 -0.002 0.000 0.250 258 N C -0.780 174.700 175.510 -0.050 0.000 1.127 258 N CA -0.315 52.702 53.050 -0.055 0.000 0.945 258 N CB 0.444 38.940 38.487 0.015 0.000 1.196 258 N HN 0.544 nan 8.380 nan 0.000 0.499 259 C N 4.240 123.493 119.300 -0.078 0.000 2.298 259 C HA 0.202 4.661 4.460 -0.002 0.000 0.451 259 C C 1.227 176.224 174.990 0.012 0.000 1.028 259 C CA -0.894 58.095 59.018 -0.049 0.000 1.324 259 C CB -1.954 25.723 27.740 -0.106 0.000 1.534 259 C HN 0.707 nan 8.230 nan 0.000 0.528 260 N N 1.145 119.860 118.700 0.025 0.000 2.268 260 N HA 0.103 4.842 4.740 -0.002 0.000 0.204 260 N C 0.808 176.360 175.510 0.070 0.000 1.124 260 N CA -0.240 52.839 53.050 0.047 0.000 0.838 260 N CB -0.466 38.061 38.487 0.066 0.000 0.994 260 N HN 0.657 nan 8.380 nan 0.000 0.489 261 L N -2.696 118.564 121.223 0.062 0.000 4.988 261 L HA -0.339 4.000 4.340 -0.002 0.000 0.439 261 L C -0.794 176.112 176.870 0.060 0.000 1.080 261 L CA 1.296 56.173 54.840 0.062 0.000 1.018 261 L CB -2.102 40.008 42.059 0.086 0.000 1.945 261 L HN 0.440 nan 8.230 nan 0.000 0.782 262 Q N -0.046 119.794 119.800 0.067 0.000 2.413 262 Q HA 0.742 5.081 4.340 -0.002 0.000 0.276 262 Q C -0.079 175.965 176.000 0.073 0.000 1.099 262 Q CA -1.052 54.792 55.803 0.069 0.000 0.814 262 Q CB 2.209 30.995 28.738 0.080 0.000 1.379 262 Q HN 0.266 nan 8.270 nan 0.000 0.436 263 R N 0.403 120.941 120.500 0.064 0.000 2.884 263 R HA 0.421 4.760 4.340 -0.002 0.000 0.199 263 R C 0.891 177.234 176.300 0.071 0.000 1.508 263 R CA -0.873 55.265 56.100 0.062 0.000 0.952 263 R CB -0.253 30.071 30.300 0.040 0.000 2.325 263 R HN 0.387 nan 8.270 nan 0.000 0.514 264 L N 0.670 121.925 121.223 0.054 0.000 1.993 264 L HA -0.038 4.301 4.340 -0.002 0.000 0.206 264 L C 0.442 177.346 176.870 0.058 0.000 1.074 264 L CA 2.013 56.890 54.840 0.062 0.000 0.746 264 L CB -0.701 41.384 42.059 0.044 0.000 0.896 264 L HN 0.580 nan 8.230 nan 0.000 0.435 265 D N 0.193 120.618 120.400 0.042 0.000 2.434 265 D HA 0.390 5.028 4.640 -0.002 0.000 0.232 265 D C 0.442 176.763 176.300 0.035 0.000 1.166 265 D CA 0.484 54.507 54.000 0.037 0.000 0.830 265 D CB 0.338 41.155 40.800 0.028 0.000 0.960 265 D HN 0.520 nan 8.370 nan 0.000 0.497 266 G N 0.259 109.084 108.800 0.042 0.000 2.356 266 G HA2 0.113 4.071 3.960 -0.002 0.000 0.288 266 G HA3 0.113 4.071 3.960 -0.002 0.000 0.288 266 G C -3.094 171.831 174.900 0.041 0.000 1.302 266 G CA -1.062 44.061 45.100 0.038 0.000 0.887 266 G HN -0.159 nan 8.290 nan 0.000 0.521 267 P HA 0.396 nan 4.420 nan 0.000 0.278 267 P C 1.313 178.633 177.300 0.032 0.000 1.238 267 P CA -0.237 62.887 63.100 0.039 0.000 0.794 267 P CB 1.669 33.391 31.700 0.036 0.000 0.955 268 V N 1.608 121.542 119.914 0.033 0.000 2.219 268 V HA -0.159 3.960 4.120 -0.002 0.000 0.248 268 V C 1.384 177.490 176.094 0.020 0.000 1.053 268 V CA 2.814 65.129 62.300 0.025 0.000 1.009 268 V CB -1.660 30.176 31.823 0.022 0.000 0.636 268 V HN 0.826 nan 8.190 nan 0.000 0.445 269 T N -2.604 111.963 114.554 0.022 0.000 3.209 269 T HA 0.517 4.866 4.350 -0.002 0.000 0.366 269 T C 0.874 175.587 174.700 0.021 0.000 1.293 269 T CA 0.145 62.256 62.100 0.018 0.000 1.417 269 T CB 0.747 69.624 68.868 0.015 0.000 1.013 269 T HN 0.347 nan 8.240 nan 0.000 0.572 270 G N 2.341 111.153 108.800 0.020 0.000 2.450 270 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.220 270 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.220 270 G C 1.334 176.242 174.900 0.013 0.000 1.130 270 G CA 0.300 45.411 45.100 0.018 0.000 0.760 270 G HN 0.592 nan 8.290 nan 0.000 0.557 271 N N 0.765 119.471 118.700 0.011 0.000 2.398 271 N HA 0.131 4.870 4.740 -0.002 0.000 0.188 271 N C 1.078 176.594 175.510 0.009 0.000 1.122 271 N CA 0.714 53.769 53.050 0.008 0.000 0.866 271 N CB 0.660 39.152 38.487 0.007 0.000 0.970 271 N HN 0.379 nan 8.380 nan 0.000 0.462 272 G N -0.324 108.484 108.800 0.012 0.000 3.247 272 G HA2 0.522 4.481 3.960 -0.002 0.000 0.226 272 G HA3 0.522 4.481 3.960 -0.002 0.000 0.226 272 G C -1.089 173.818 174.900 0.011 0.000 1.220 272 G CA -0.474 44.632 45.100 0.010 0.000 0.875 272 G HN -0.054 nan 8.290 nan 0.000 0.606 273 K N 0.462 120.866 120.400 0.007 0.000 2.626 273 K HA 0.278 4.596 4.320 -0.002 0.000 0.223 273 K C 0.354 176.970 176.600 0.025 0.000 0.992 273 K CA -0.602 55.689 56.287 0.007 0.000 1.024 273 K CB 2.086 34.567 32.500 -0.031 0.000 1.225 273 K HN 0.253 nan 8.250 nan 0.000 0.498 274 I N 2.552 123.135 120.570 0.021 0.000 2.264 274 I HA -0.233 3.936 4.170 -0.002 0.000 0.248 274 I C 1.485 177.598 176.117 -0.007 0.000 1.111 274 I CA 1.556 62.861 61.300 0.008 0.000 1.382 274 I CB 0.033 38.036 38.000 0.005 0.000 1.060 274 I HN 0.634 nan 8.210 nan 0.000 0.418 275 I N 0.254 120.816 120.570 -0.014 0.000 2.394 275 I HA -0.266 3.903 4.170 -0.002 0.000 0.251 275 I C 1.894 177.992 176.117 -0.032 0.000 1.136 275 I CA 0.965 62.219 61.300 -0.075 0.000 1.425 275 I CB -0.465 37.419 38.000 -0.193 0.000 1.079 275 I HN 0.265 nan 8.210 nan 0.000 0.425 276 N N 0.400 119.128 118.700 0.046 0.000 2.300 276 N HA -0.175 4.563 4.740 -0.002 0.000 0.179 276 N C 1.723 177.246 175.510 0.022 0.000 1.016 276 N CA 0.876 53.954 53.050 0.048 0.000 0.876 276 N CB -0.080 38.453 38.487 0.078 0.000 0.979 276 N HN 0.425 nan 8.380 nan 0.000 0.432 277 E N 0.048 120.259 120.200 0.019 0.000 2.072 277 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 277 E C 1.440 178.059 176.600 0.032 0.000 0.985 277 E CA 0.689 57.099 56.400 0.017 0.000 0.801 277 E CB -0.004 29.704 29.700 0.013 0.000 0.750 277 E HN 0.025 nan 8.360 nan 0.000 0.452 278 L N 1.888 123.129 121.223 0.030 0.000 2.017 278 L HA -0.173 4.165 4.340 -0.002 0.000 0.208 278 L C 2.461 179.393 176.870 0.103 0.000 1.073 278 L CA 2.211 57.098 54.840 0.078 0.000 0.745 278 L CB -1.158 40.878 42.059 -0.039 0.000 0.894 278 L HN 0.338 nan 8.230 nan 0.000 0.432 279 E N -0.939 119.264 120.200 0.005 0.000 2.058 279 E HA -0.197 4.152 4.350 -0.002 0.000 0.194 279 E C 2.150 178.777 176.600 0.045 0.000 0.997 279 E CA 1.308 57.708 56.400 0.000 0.000 0.801 279 E CB -0.416 29.261 29.700 -0.038 0.000 0.746 279 E HN 0.451 nan 8.360 nan 0.000 0.450 280 G N 1.484 110.302 108.800 0.031 0.000 2.440 280 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.218 280 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.218 280 G C 1.628 176.536 174.900 0.013 0.000 1.154 280 G CA 0.903 46.016 45.100 0.021 0.000 0.767 280 G HN 0.415 nan 8.290 nan 0.000 0.552 281 I N -1.318 119.259 120.570 0.011 0.000 2.406 281 I HA 0.095 4.264 4.170 -0.002 0.000 0.249 281 I C 2.263 178.300 176.117 -0.132 0.000 1.122 281 I CA 0.591 61.849 61.300 -0.069 0.000 1.431 281 I CB 0.066 37.996 38.000 -0.116 0.000 1.087 281 I HN 0.145 nan 8.210 nan 0.000 0.424 282 F N 1.212 121.055 119.950 -0.178 0.000 2.234 282 F HA -0.182 4.344 4.527 -0.002 0.000 0.299 282 F C 2.436 178.191 175.800 -0.075 0.000 1.087 282 F CA 1.436 59.279 58.000 -0.261 0.000 1.340 282 F CB -0.204 38.597 39.000 -0.330 0.000 1.031 282 F HN 0.112 nan 8.300 nan 0.000 0.500 283 E N 0.108 120.385 120.200 0.128 0.000 2.072 283 E HA -0.067 4.282 4.350 -0.002 0.000 0.190 283 E C 2.476 179.109 176.600 0.055 0.000 0.982 283 E CA 1.344 57.800 56.400 0.093 0.000 0.803 283 E CB -0.787 28.944 29.700 0.052 0.000 0.755 283 E HN 0.236 nan 8.360 nan 0.000 0.453 284 G N -0.041 108.768 108.800 0.015 0.000 2.443 284 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.219 284 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.219 284 G C 1.443 176.336 174.900 -0.011 0.000 1.131 284 G CA 0.667 45.763 45.100 -0.008 0.000 0.775 284 G HN 0.389 nan 8.290 nan 0.000 0.547 285 A N -0.252 122.554 122.820 -0.022 0.000 2.238 285 A HA 0.474 4.793 4.320 -0.002 0.000 0.208 285 A C 1.969 179.642 177.584 0.148 0.000 1.177 285 A CA 1.194 53.232 52.037 0.001 0.000 0.804 285 A CB -0.506 18.400 19.000 -0.158 0.000 0.823 285 A HN 1.529 nan 8.150 nan 0.000 0.482 286 G N -2.571 106.307 108.800 0.130 0.000 2.143 286 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.249 286 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.249 286 G C -0.134 174.860 174.900 0.158 0.000 0.981 286 G CA 0.198 45.363 45.100 0.108 0.000 0.665 286 G HN 0.393 nan 8.290 nan 0.000 0.528 287 W N 0.377 121.656 121.300 -0.035 0.000 2.237 287 W HA 0.600 5.259 4.660 -0.002 0.000 0.335 287 W C 0.577 177.072 176.519 -0.040 0.000 1.230 287 W CA -0.795 56.534 57.345 -0.026 0.000 1.253 287 W CB 0.502 30.017 29.460 0.092 0.000 1.129 287 W HN 0.181 nan 8.180 nan 0.000 0.590 288 N N 1.324 120.092 118.700 0.115 0.000 2.401 288 N HA 0.247 4.986 4.740 -0.002 0.000 0.255 288 N C -1.487 174.049 175.510 0.043 0.000 1.110 288 N CA -0.036 53.028 53.050 0.024 0.000 0.949 288 N CB 0.542 38.990 38.487 -0.065 0.000 1.110 288 N HN 0.119 nan 8.380 nan 0.000 0.490 289 V N 5.610 125.533 119.914 0.015 0.000 2.370 289 V HA 0.382 4.501 4.120 -0.002 0.000 0.279 289 V C 0.310 176.343 176.094 -0.102 0.000 1.029 289 V CA -0.576 61.697 62.300 -0.046 0.000 0.870 289 V CB 0.594 32.396 31.823 -0.034 0.000 0.984 289 V HN 0.564 nan 8.190 nan 0.000 0.451 290 I N 5.250 125.725 120.570 -0.159 0.000 2.382 290 I HA 0.413 4.582 4.170 -0.002 0.000 0.285 290 I C -0.029 175.953 176.117 -0.226 0.000 1.007 290 I CA -0.585 60.606 61.300 -0.182 0.000 1.142 290 I CB 1.419 39.292 38.000 -0.211 0.000 1.289 290 I HN 0.472 nan 8.210 nan 0.000 0.453 291 K N 5.239 125.508 120.400 -0.219 0.000 2.248 291 K HA 0.451 4.770 4.320 -0.002 0.000 0.281 291 K C -0.665 175.761 176.600 -0.289 0.000 1.054 291 K CA -0.419 55.696 56.287 -0.287 0.000 0.903 291 K CB 1.802 34.111 32.500 -0.318 0.000 1.077 291 K HN 0.325 nan 8.250 nan 0.000 0.474 292 V N 5.953 125.681 119.914 -0.311 0.000 2.240 292 V HA 0.064 4.183 4.120 -0.002 0.000 0.265 292 V C 0.675 176.546 176.094 -0.371 0.000 1.073 292 V CA -0.332 61.810 62.300 -0.263 0.000 0.857 292 V CB 0.574 32.281 31.823 -0.193 0.000 1.114 292 V HN 0.832 nan 8.190 nan 0.000 0.469 293 M N 1.476 120.756 119.600 -0.534 0.000 2.276 293 M HA 0.213 4.691 4.480 -0.002 0.000 0.262 293 M C 0.346 176.043 176.300 -1.006 0.000 1.098 293 M CA 1.228 55.921 55.300 -1.011 0.000 1.167 293 M CB -0.153 31.569 32.600 -1.463 0.000 1.337 293 M HN 0.523 nan 8.290 nan 0.000 0.446 294 W N -0.493 120.694 121.300 -0.188 0.000 2.882 294 W HA 0.643 5.302 4.660 -0.002 0.000 0.345 294 W C 0.484 177.039 176.519 0.060 0.000 1.125 294 W CA -1.296 55.925 57.345 -0.207 0.000 1.167 294 W CB 0.550 29.644 29.460 -0.609 0.000 1.431 294 W HN 0.090 nan 8.180 nan 0.000 0.543 295 G N 0.026 109.163 108.800 0.562 0.000 2.580 295 G HA2 0.262 4.221 3.960 -0.002 0.000 0.278 295 G HA3 0.262 4.221 3.960 -0.002 0.000 0.278 295 G C 0.573 175.753 174.900 0.467 0.000 1.212 295 G CA -0.507 44.856 45.100 0.440 0.000 0.939 295 G HN 0.525 nan 8.290 nan 0.000 0.513 296 S N -0.495 115.380 115.700 0.293 0.000 2.440 296 S HA -0.144 4.324 4.470 -0.002 0.000 0.240 296 S C 2.284 177.032 174.600 0.246 0.000 1.014 296 S CA 0.983 59.326 58.200 0.238 0.000 0.980 296 S CB -0.168 63.121 63.200 0.150 0.000 0.775 296 S HN 0.581 nan 8.310 nan 0.000 0.499 297 R N -0.288 120.359 120.500 0.246 0.000 2.152 297 R HA -0.093 4.246 4.340 -0.002 0.000 0.232 297 R C 1.601 177.980 176.300 0.131 0.000 1.117 297 R CA 1.435 57.622 56.100 0.145 0.000 0.981 297 R CB -0.185 30.148 30.300 0.054 0.000 0.870 297 R HN 0.521 nan 8.270 nan 0.000 0.451 298 W N 0.665 122.079 121.300 0.190 0.000 2.584 298 W HA -0.022 4.637 4.660 -0.002 0.000 0.264 298 W C 1.534 178.124 176.519 0.119 0.000 1.264 298 W CA 0.063 57.481 57.345 0.121 0.000 1.306 298 W CB -0.061 29.427 29.460 0.047 0.000 1.110 298 W HN 0.026 nan 8.180 nan 0.000 0.606 299 D N 0.582 121.186 120.400 0.339 0.000 2.126 299 D HA -0.249 4.390 4.640 -0.002 0.000 0.190 299 D C 1.687 178.098 176.300 0.185 0.000 1.001 299 D CA 1.843 55.985 54.000 0.236 0.000 0.841 299 D CB -0.394 40.520 40.800 0.191 0.000 0.949 299 D HN 0.189 nan 8.370 nan 0.000 0.446 300 E N -0.390 119.914 120.200 0.173 0.000 2.299 300 E HA -0.017 4.332 4.350 -0.002 0.000 0.193 300 E C 1.860 178.548 176.600 0.146 0.000 0.998 300 E CA -0.092 56.394 56.400 0.144 0.000 0.851 300 E CB -0.042 29.738 29.700 0.135 0.000 0.795 300 E HN 0.063 nan 8.360 nan 0.000 0.492 301 L N 0.178 121.498 121.223 0.162 0.000 2.027 301 L HA -0.092 4.247 4.340 -0.002 0.000 0.206 301 L C 1.905 178.847 176.870 0.120 0.000 1.074 301 L CA 1.580 56.482 54.840 0.103 0.000 0.745 301 L CB -0.828 41.252 42.059 0.036 0.000 0.898 301 L HN 0.289 nan 8.230 nan 0.000 0.433 302 L N -0.517 120.806 121.223 0.167 0.000 2.056 302 L HA -0.204 4.135 4.340 -0.002 0.000 0.207 302 L C 2.726 179.660 176.870 0.105 0.000 1.078 302 L CA 1.326 56.252 54.840 0.142 0.000 0.749 302 L CB -0.492 41.664 42.059 0.162 0.000 0.901 302 L HN 0.268 nan 8.230 nan 0.000 0.433 303 R N 0.551 121.116 120.500 0.108 0.000 2.105 303 R HA -0.210 4.129 4.340 -0.002 0.000 0.239 303 R C 2.265 178.607 176.300 0.069 0.000 1.135 303 R CA 1.623 57.774 56.100 0.085 0.000 0.967 303 R CB -0.148 30.205 30.300 0.088 0.000 0.861 303 R HN 0.178 nan 8.270 nan 0.000 0.442 304 K N 0.459 120.902 120.400 0.072 0.000 2.025 304 K HA -0.153 4.166 4.320 -0.002 0.000 0.207 304 K C 0.010 176.635 176.600 0.042 0.000 1.049 304 K CA 1.358 57.678 56.287 0.056 0.000 0.933 304 K CB -0.321 32.214 32.500 0.058 0.000 0.714 304 K HN 0.187 nan 8.250 nan 0.000 0.438 305 D N 0.617 121.045 120.400 0.046 0.000 2.376 305 D HA -0.061 4.578 4.640 -0.002 0.000 0.278 305 D C 0.559 176.876 176.300 0.028 0.000 1.384 305 D CA 0.292 54.312 54.000 0.035 0.000 1.033 305 D CB 0.719 41.548 40.800 0.047 0.000 1.102 305 D HN 0.244 nan 8.370 nan 0.000 0.530 306 T N -0.782 113.783 114.554 0.018 0.000 3.065 306 T HA -0.066 4.283 4.350 -0.002 0.000 0.252 306 T C 1.754 176.455 174.700 0.002 0.000 1.099 306 T CA 0.406 62.514 62.100 0.014 0.000 1.063 306 T CB -0.093 68.783 68.868 0.013 0.000 0.948 306 T HN 0.275 nan 8.240 nan 0.000 0.506 307 S N 1.038 116.734 115.700 -0.007 0.000 2.522 307 S HA 0.351 4.820 4.470 -0.002 0.000 0.227 307 S C 2.036 176.613 174.600 -0.039 0.000 0.986 307 S CA 0.220 58.405 58.200 -0.025 0.000 0.929 307 S CB -0.824 62.355 63.200 -0.035 0.000 0.769 307 S HN 1.029 nan 8.310 nan 0.000 0.529 308 G N 1.276 110.062 108.800 -0.023 0.000 2.168 308 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.257 308 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.257 308 G C 0.735 175.598 174.900 -0.063 0.000 0.997 308 G CA 0.692 45.777 45.100 -0.025 0.000 0.708 308 G HN 0.479 nan 8.290 nan 0.000 0.520 309 K N -0.409 119.939 120.400 -0.088 0.000 2.243 309 K HA 0.379 4.698 4.320 -0.002 0.000 0.201 309 K C 2.451 178.984 176.600 -0.113 0.000 1.051 309 K CA 0.758 56.941 56.287 -0.173 0.000 0.970 309 K CB -0.267 32.116 32.500 -0.195 0.000 0.755 309 K HN 0.457 nan 8.250 nan 0.000 0.465 310 L N 0.301 121.506 121.223 -0.030 0.000 2.027 310 L HA -0.165 4.174 4.340 -0.002 0.000 0.206 310 L C 1.586 178.473 176.870 0.027 0.000 1.074 310 L CA 1.040 55.881 54.840 0.002 0.000 0.745 310 L CB -0.260 41.846 42.059 0.078 0.000 0.898 310 L HN 0.159 nan 8.230 nan 0.000 0.433 311 I N -0.085 120.513 120.570 0.047 0.000 2.151 311 I HA -0.366 3.802 4.170 -0.002 0.000 0.243 311 I C 2.564 178.728 176.117 0.079 0.000 1.080 311 I CA 1.448 62.801 61.300 0.089 0.000 1.339 311 I CB -1.388 36.652 38.000 0.068 0.000 1.039 311 I HN 0.493 nan 8.210 nan 0.000 0.409 312 Q N 0.247 120.048 119.800 0.002 0.000 2.020 312 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 312 Q C 2.353 178.369 176.000 0.026 0.000 0.982 312 Q CA 1.653 57.442 55.803 -0.025 0.000 0.838 312 Q CB -0.235 28.411 28.738 -0.153 0.000 0.899 312 Q HN 0.359 nan 8.270 nan 0.000 0.423 313 L N 0.701 121.929 121.223 0.009 0.000 2.012 313 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 313 L C 2.330 179.285 176.870 0.142 0.000 1.073 313 L CA 1.849 56.714 54.840 0.041 0.000 0.748 313 L CB -0.659 41.288 42.059 -0.187 0.000 0.891 313 L HN 0.297 nan 8.230 nan 0.000 0.431 314 M N -0.774 118.965 119.600 0.233 0.000 2.108 314 M HA -0.230 4.249 4.480 -0.002 0.000 0.261 314 M C 1.923 178.431 176.300 0.346 0.000 1.066 314 M CA 1.747 57.354 55.300 0.511 0.000 1.107 314 M CB -0.525 32.383 32.600 0.513 0.000 1.356 314 M HN 0.330 nan 8.290 nan 0.000 0.406 315 N N 0.543 119.371 118.700 0.213 0.000 2.142 315 N HA -0.160 4.579 4.740 -0.002 0.000 0.186 315 N C 1.508 177.036 175.510 0.031 0.000 1.023 315 N CA 1.588 54.703 53.050 0.109 0.000 0.852 315 N CB -0.309 38.243 38.487 0.108 0.000 0.998 315 N HN 0.587 nan 8.380 nan 0.000 0.424 316 E N -0.562 119.677 120.200 0.065 0.000 2.371 316 E HA 0.015 4.364 4.350 -0.002 0.000 0.194 316 E C -0.127 176.499 176.600 0.043 0.000 1.012 316 E CA 0.361 56.792 56.400 0.051 0.000 0.860 316 E CB -0.209 29.536 29.700 0.076 0.000 0.811 316 E HN -0.079 nan 8.360 nan 0.000 0.502 317 T N 1.663 116.253 114.554 0.061 0.000 2.916 317 T HA 0.186 4.535 4.350 -0.002 0.000 0.303 317 T C -0.223 174.488 174.700 0.019 0.000 1.025 317 T CA -0.361 61.733 62.100 -0.009 0.000 1.142 317 T CB 1.851 70.574 68.868 -0.242 0.000 0.947 317 T HN -0.020 nan 8.240 nan 0.000 0.544 318 V N 2.765 122.680 119.914 0.000 0.000 2.837 318 V HA 0.131 4.250 4.120 -0.002 0.000 0.310 318 V C 1.098 177.266 176.094 0.124 0.000 1.059 318 V CA -0.358 61.968 62.300 0.044 0.000 1.004 318 V CB 1.720 33.548 31.823 0.010 0.000 1.045 318 V HN 0.886 nan 8.190 nan 0.000 0.465 319 D N 3.257 123.732 120.400 0.125 0.000 2.160 319 D HA -0.193 4.446 4.640 -0.002 0.000 0.189 319 D C 1.946 178.304 176.300 0.096 0.000 1.003 319 D CA 2.074 56.160 54.000 0.144 0.000 0.846 319 D CB -0.540 40.306 40.800 0.075 0.000 0.949 319 D HN 0.778 nan 8.370 nan 0.000 0.446 320 G N 0.574 109.389 108.800 0.024 0.000 2.469 320 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.219 320 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.219 320 G C 1.352 176.180 174.900 -0.119 0.000 1.150 320 G CA 1.247 46.331 45.100 -0.025 0.000 0.763 320 G HN 0.188 nan 8.290 nan 0.000 0.561 321 D N -0.072 120.210 120.400 -0.196 0.000 2.078 321 D HA -0.105 4.534 4.640 -0.002 0.000 0.193 321 D C 2.187 177.941 176.300 -0.909 0.000 0.990 321 D CA 0.856 54.539 54.000 -0.529 0.000 0.827 321 D CB -0.497 40.032 40.800 -0.453 0.000 0.975 321 D HN 0.355 nan 8.370 nan 0.000 0.451 322 Y N 1.294 121.317 120.300 -0.462 0.000 2.193 322 Y HA -0.193 4.356 4.550 -0.002 0.000 0.285 322 Y C 2.557 178.387 175.900 -0.117 0.000 1.166 322 Y CA 1.139 59.132 58.100 -0.178 0.000 1.181 322 Y CB -0.222 38.304 38.460 0.110 0.000 0.976 322 Y HN -0.005 nan 8.280 nan 0.000 0.520 323 Q N -0.857 118.972 119.800 0.048 0.000 2.167 323 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 323 Q C 2.277 178.273 176.000 -0.007 0.000 0.970 323 Q CA 1.689 57.521 55.803 0.048 0.000 0.855 323 Q CB -0.686 28.075 28.738 0.039 0.000 0.911 323 Q HN 0.431 nan 8.270 nan 0.000 0.438 324 T N 0.953 115.417 114.554 -0.150 0.000 2.737 324 T HA -0.076 4.273 4.350 -0.002 0.000 0.265 324 T C 1.485 176.155 174.700 -0.050 0.000 1.038 324 T CA 0.871 62.874 62.100 -0.161 0.000 1.144 324 T CB -0.236 68.480 68.868 -0.254 0.000 0.866 324 T HN 0.112 nan 8.240 nan 0.000 0.434 325 F N 1.996 121.997 119.950 0.086 0.000 2.063 325 F HA -0.097 4.429 4.527 -0.002 0.000 0.298 325 F C 2.317 178.297 175.800 0.299 0.000 1.109 325 F CA 0.838 58.958 58.000 0.199 0.000 1.212 325 F CB -1.042 38.081 39.000 0.206 0.000 0.973 325 F HN 0.126 nan 8.300 nan 0.000 0.480 326 K N 0.643 121.267 120.400 0.373 0.000 2.293 326 K HA -0.199 4.120 4.320 -0.002 0.000 0.204 326 K C 1.536 178.379 176.600 0.405 0.000 1.045 326 K CA 1.698 58.140 56.287 0.257 0.000 0.933 326 K CB -0.276 32.321 32.500 0.160 0.000 0.736 326 K HN 0.416 nan 8.250 nan 0.000 0.463 327 S N -0.777 115.107 115.700 0.305 0.000 2.557 327 S HA 0.163 4.632 4.470 -0.002 0.000 0.223 327 S C 0.504 175.177 174.600 0.122 0.000 0.969 327 S CA -0.638 57.684 58.200 0.203 0.000 0.927 327 S CB 0.309 63.548 63.200 0.065 0.000 0.806 327 S HN 0.097 nan 8.310 nan 0.000 0.489 328 K N 1.955 122.476 120.400 0.203 0.000 3.283 328 K HA 0.510 4.829 4.320 -0.002 0.000 0.249 328 K C -0.584 175.616 176.600 -0.667 0.000 1.008 328 K CA -0.138 56.066 56.287 -0.139 0.000 1.687 328 K CB -0.414 31.961 32.500 -0.208 0.000 2.788 328 K HN 0.492 nan 8.250 nan 0.000 0.849 329 D N -3.217 116.739 120.400 -0.740 0.000 2.615 329 D HA 0.262 4.901 4.640 -0.002 0.000 0.267 329 D C 0.853 176.966 176.300 -0.311 0.000 1.236 329 D CA -0.559 52.690 54.000 -1.253 0.000 0.839 329 D CB 0.311 40.749 40.800 -0.604 0.000 1.380 329 D HN 0.360 nan 8.370 nan 0.000 0.433 330 G N -0.109 108.653 108.800 -0.063 0.000 2.550 330 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.222 330 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.222 330 G C 1.317 176.375 174.900 0.263 0.000 1.113 330 G CA 1.639 46.959 45.100 0.366 0.000 0.748 330 G HN 0.732 nan 8.290 nan 0.000 0.585 331 A N -0.127 122.780 122.820 0.145 0.000 1.877 331 A HA -0.023 4.295 4.320 -0.002 0.000 0.216 331 A C 2.205 179.928 177.584 0.232 0.000 1.186 331 A CA 1.691 53.816 52.037 0.146 0.000 0.620 331 A CB -0.709 18.347 19.000 0.092 0.000 0.822 331 A HN 0.439 nan 8.150 nan 0.000 0.443 332 Y N 0.542 120.949 120.300 0.178 0.000 2.097 332 Y HA -0.215 4.333 4.550 -0.002 0.000 0.282 332 Y C 2.499 178.606 175.900 0.345 0.000 1.152 332 Y CA 2.042 60.336 58.100 0.325 0.000 1.136 332 Y CB -0.356 38.258 38.460 0.257 0.000 0.975 332 Y HN 0.085 nan 8.280 nan 0.000 0.498 333 V N 1.378 121.609 119.914 0.528 0.000 2.220 333 V HA -0.412 3.707 4.120 -0.002 0.000 0.246 333 V C 2.441 178.723 176.094 0.315 0.000 1.049 333 V CA 2.729 65.225 62.300 0.327 0.000 1.003 333 V CB -0.996 31.086 31.823 0.433 0.000 0.634 333 V HN 0.537 nan 8.190 nan 0.000 0.444 334 R N 0.540 121.255 120.500 0.359 0.000 2.133 334 R HA -0.226 4.113 4.340 -0.002 0.000 0.247 334 R C 2.091 178.467 176.300 0.127 0.000 1.151 334 R CA 2.330 58.594 56.100 0.274 0.000 0.971 334 R CB -0.540 29.838 30.300 0.130 0.000 0.866 334 R HN 0.568 nan 8.270 nan 0.000 0.447 335 E N -0.042 120.185 120.200 0.045 0.000 2.030 335 E HA -0.103 4.245 4.350 -0.002 0.000 0.189 335 E C 1.777 178.215 176.600 -0.269 0.000 0.974 335 E CA 1.253 57.566 56.400 -0.144 0.000 0.807 335 E CB -0.063 29.496 29.700 -0.234 0.000 0.771 335 E HN 0.576 nan 8.360 nan 0.000 0.451 336 H N -0.892 118.071 119.070 -0.179 0.000 2.343 336 H HA -0.014 4.541 4.556 -0.002 0.000 0.303 336 H C 1.587 176.856 175.328 -0.098 0.000 1.068 336 H CA 1.536 57.487 56.048 -0.162 0.000 1.359 336 H CB -0.186 29.423 29.762 -0.256 0.000 1.402 336 H HN 0.116 nan 8.280 nan 0.000 0.515 337 F N 0.331 120.096 119.950 -0.309 0.000 2.016 337 F HA -0.082 4.443 4.527 -0.002 0.000 0.290 337 F C 1.710 177.343 175.800 -0.278 0.000 1.166 337 F CA 1.046 58.730 58.000 -0.526 0.000 1.156 337 F CB -0.865 37.520 39.000 -1.024 0.000 0.995 337 F HN -0.001 nan 8.300 nan 0.000 0.477 338 F N 1.040 120.827 119.950 -0.271 0.000 2.307 338 F HA -0.030 4.495 4.527 -0.002 0.000 0.301 338 F C 2.544 178.199 175.800 -0.242 0.000 1.076 338 F CA 1.339 59.151 58.000 -0.314 0.000 1.383 338 F CB -1.293 37.619 39.000 -0.146 0.000 1.055 338 F HN 0.170 nan 8.300 nan 0.000 0.526 339 G N -1.189 107.585 108.800 -0.042 0.000 2.848 339 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.208 339 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.208 339 G C 1.616 176.395 174.900 -0.201 0.000 1.152 339 G CA 0.140 45.174 45.100 -0.110 0.000 0.789 339 G HN 0.234 nan 8.290 nan 0.000 0.531 340 K N -0.510 119.714 120.400 -0.293 0.000 2.026 340 K HA -0.013 4.306 4.320 -0.002 0.000 0.208 340 K C -0.225 175.933 176.600 -0.738 0.000 1.048 340 K CA 0.865 56.820 56.287 -0.553 0.000 0.929 340 K CB -0.116 31.969 32.500 -0.691 0.000 0.713 340 K HN 0.380 nan 8.250 nan 0.000 0.439 341 Y N -1.515 118.726 120.300 -0.099 0.000 2.499 341 Y HA 0.259 4.808 4.550 -0.002 0.000 0.347 341 Y C -1.950 173.916 175.900 -0.057 0.000 0.987 341 Y CA -2.840 55.218 58.100 -0.070 0.000 1.044 341 Y CB 1.660 40.078 38.460 -0.070 0.000 1.245 341 Y HN -0.095 nan 8.280 nan 0.000 0.461 342 P HA -0.148 nan 4.420 nan 0.000 0.215 342 P C 0.756 178.082 177.300 0.042 0.000 1.153 342 P CA 1.739 64.863 63.100 0.040 0.000 0.853 342 P CB 0.400 32.117 31.700 0.028 0.000 0.788 343 E N -0.817 119.419 120.200 0.061 0.000 2.171 343 E HA -0.189 4.160 4.350 -0.002 0.000 0.197 343 E C 1.898 178.517 176.600 0.032 0.000 0.997 343 E CA 2.200 58.619 56.400 0.030 0.000 0.810 343 E CB -0.768 28.937 29.700 0.009 0.000 0.738 343 E HN 0.451 nan 8.360 nan 0.000 0.467 344 T N -1.703 112.896 114.554 0.074 0.000 2.901 344 T HA 0.147 4.496 4.350 -0.002 0.000 0.252 344 T C 2.141 176.889 174.700 0.079 0.000 1.035 344 T CA 0.570 62.736 62.100 0.110 0.000 1.142 344 T CB -0.286 68.657 68.868 0.126 0.000 0.869 344 T HN 0.157 nan 8.240 nan 0.000 0.442 345 A N 1.997 124.842 122.820 0.043 0.000 1.978 345 A HA 0.306 4.625 4.320 -0.002 0.000 0.220 345 A C 2.647 180.173 177.584 -0.097 0.000 1.170 345 A CA 1.723 53.743 52.037 -0.028 0.000 0.636 345 A CB -1.266 17.720 19.000 -0.024 0.000 0.810 345 A HN 0.742 nan 8.150 nan 0.000 0.448 346 A N -0.863 121.922 122.820 -0.059 0.000 2.168 346 A HA 0.220 4.539 4.320 -0.002 0.000 0.215 346 A C 1.974 179.502 177.584 -0.094 0.000 1.152 346 A CA 0.957 52.958 52.037 -0.059 0.000 0.716 346 A CB -0.428 18.557 19.000 -0.025 0.000 0.794 346 A HN 0.481 nan 8.150 nan 0.000 0.465 347 L N -0.591 120.534 121.223 -0.164 0.000 2.102 347 L HA -0.060 4.279 4.340 -0.002 0.000 0.202 347 L C 2.187 178.790 176.870 -0.445 0.000 1.076 347 L CA 1.272 55.970 54.840 -0.235 0.000 0.761 347 L CB -0.245 41.676 42.059 -0.230 0.000 0.921 347 L HN 0.356 nan 8.230 nan 0.000 0.444 348 V N -3.902 115.577 119.914 -0.726 0.000 3.596 348 V HA 0.299 4.418 4.120 -0.002 0.000 0.289 348 V C 2.237 178.186 176.094 -0.241 0.000 1.336 348 V CA 0.517 62.270 62.300 -0.911 0.000 1.137 348 V CB -0.534 30.465 31.823 -1.374 0.000 0.966 348 V HN 0.225 nan 8.190 nan 0.000 0.428 349 A N 1.889 124.619 122.820 -0.151 0.000 1.927 349 A HA -0.261 4.058 4.320 -0.002 0.000 0.220 349 A C 1.425 179.035 177.584 0.043 0.000 1.185 349 A CA 2.400 54.412 52.037 -0.042 0.000 0.639 349 A CB -0.771 18.209 19.000 -0.034 0.000 0.820 349 A HN 0.685 nan 8.150 nan 0.000 0.451 350 D N -2.356 118.115 120.400 0.118 0.000 2.690 350 D HA 0.276 4.915 4.640 -0.002 0.000 0.236 350 D C -0.818 175.607 176.300 0.208 0.000 1.218 350 D CA -0.010 54.069 54.000 0.131 0.000 0.829 350 D CB -0.052 40.807 40.800 0.098 0.000 1.009 350 D HN 0.533 nan 8.370 nan 0.000 0.482 351 W N 1.554 122.787 121.300 -0.112 0.000 2.532 351 W HA 0.285 4.943 4.660 -0.002 0.000 0.321 351 W C 0.262 176.736 176.519 -0.075 0.000 1.037 351 W CA -1.447 55.830 57.345 -0.115 0.000 1.220 351 W CB 1.150 30.497 29.460 -0.188 0.000 1.361 351 W HN -0.203 nan 8.180 nan 0.000 0.468 352 T N -0.623 113.967 114.554 0.060 0.000 2.930 352 T HA -0.001 4.348 4.350 -0.002 0.000 0.306 352 T C 0.845 175.622 174.700 0.129 0.000 1.045 352 T CA -0.073 62.058 62.100 0.052 0.000 1.134 352 T CB 1.006 69.867 68.868 -0.012 0.000 0.961 352 T HN 0.370 nan 8.240 nan 0.000 0.545 353 D N 1.150 121.620 120.400 0.117 0.000 2.228 353 D HA -0.132 4.507 4.640 -0.002 0.000 0.203 353 D C 2.085 178.511 176.300 0.209 0.000 0.988 353 D CA 1.362 55.457 54.000 0.157 0.000 0.864 353 D CB 0.079 40.939 40.800 0.100 0.000 0.928 353 D HN 0.878 nan 8.370 nan 0.000 0.469 354 E N 0.166 120.456 120.200 0.151 0.000 2.285 354 E HA -0.117 4.232 4.350 -0.002 0.000 0.194 354 E C 1.661 178.369 176.600 0.180 0.000 0.997 354 E CA 0.434 56.937 56.400 0.172 0.000 0.845 354 E CB -0.295 29.457 29.700 0.087 0.000 0.782 354 E HN 0.405 nan 8.360 nan 0.000 0.491 355 Q N 0.467 120.350 119.800 0.138 0.000 2.137 355 Q HA 0.052 4.391 4.340 -0.002 0.000 0.198 355 Q C 2.251 178.491 176.000 0.400 0.000 0.960 355 Q CA 0.597 56.438 55.803 0.063 0.000 0.847 355 Q CB 0.066 28.654 28.738 -0.249 0.000 0.915 355 Q HN 0.246 nan 8.270 nan 0.000 0.448 356 I N -0.193 120.678 120.570 0.501 0.000 2.163 356 I HA -0.268 3.901 4.170 -0.002 0.000 0.240 356 I C 1.979 178.317 176.117 0.368 0.000 1.081 356 I CA 1.023 62.575 61.300 0.420 0.000 1.353 356 I CB -0.220 37.972 38.000 0.320 0.000 1.054 356 I HN 0.446 nan 8.210 nan 0.000 0.407 357 W N 1.164 122.575 121.300 0.186 0.000 2.747 357 W HA -0.102 4.557 4.660 -0.002 0.000 0.244 357 W C 1.962 178.574 176.519 0.155 0.000 1.270 357 W CA 0.887 58.333 57.345 0.168 0.000 1.333 357 W CB 0.210 29.751 29.460 0.135 0.000 1.139 357 W HN 0.179 nan 8.180 nan 0.000 0.662 358 A N 0.089 123.020 122.820 0.186 0.000 2.081 358 A HA 0.084 4.402 4.320 -0.002 0.000 0.214 358 A C 0.968 178.591 177.584 0.065 0.000 1.158 358 A CA 0.047 52.142 52.037 0.097 0.000 0.724 358 A CB -0.617 18.439 19.000 0.093 0.000 0.826 358 A HN 0.115 nan 8.150 nan 0.000 0.463 359 L N 1.817 123.066 121.223 0.043 0.000 2.534 359 L HA 0.045 4.384 4.340 -0.002 0.000 0.271 359 L C 0.153 177.204 176.870 0.302 0.000 1.178 359 L CA -0.189 54.642 54.840 -0.016 0.000 0.907 359 L CB -0.106 41.627 42.059 -0.544 0.000 1.164 359 L HN 0.286 nan 8.230 nan 0.000 0.482 360 N N 3.069 122.047 118.700 0.464 0.000 2.432 360 N HA 0.404 5.143 4.740 -0.002 0.000 0.292 360 N C -0.543 175.297 175.510 0.550 0.000 1.193 360 N CA -0.725 52.577 53.050 0.418 0.000 0.878 360 N CB 1.497 40.147 38.487 0.271 0.000 1.252 360 N HN 0.395 nan 8.380 nan 0.000 0.520 361 R N -0.253 120.428 120.500 0.301 0.000 2.539 361 R HA 0.221 4.560 4.340 -0.002 0.000 0.275 361 R C 1.289 177.623 176.300 0.057 0.000 1.077 361 R CA -0.150 55.988 56.100 0.062 0.000 1.097 361 R CB 0.241 30.345 30.300 -0.327 0.000 1.018 361 R HN 0.724 nan 8.270 nan 0.000 0.483 362 G N 1.577 110.347 108.800 -0.050 0.000 2.450 362 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.220 362 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.220 362 G C 1.247 176.093 174.900 -0.091 0.000 1.130 362 G CA 0.793 45.870 45.100 -0.039 0.000 0.760 362 G HN 0.745 nan 8.290 nan 0.000 0.557 363 G N -1.203 107.469 108.800 -0.213 0.000 2.776 363 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.209 363 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.209 363 G C 1.195 175.822 174.900 -0.456 0.000 1.145 363 G CA 0.333 45.244 45.100 -0.316 0.000 0.791 363 G HN 0.537 nan 8.290 nan 0.000 0.530 364 H N -0.799 118.190 119.070 -0.135 0.000 2.755 364 H HA 0.123 4.678 4.556 -0.002 0.000 0.273 364 H C -0.442 174.848 175.328 -0.063 0.000 1.055 364 H CA -0.269 55.669 56.048 -0.185 0.000 1.191 364 H CB 1.118 30.685 29.762 -0.325 0.000 1.536 364 H HN 0.244 nan 8.280 nan 0.000 0.529 365 D N 1.488 121.925 120.400 0.061 0.000 2.392 365 D HA 0.138 4.777 4.640 -0.002 0.000 0.228 365 D C -1.851 174.460 176.300 0.019 0.000 1.074 365 D CA -2.213 51.822 54.000 0.059 0.000 0.838 365 D CB 2.344 43.203 40.800 0.099 0.000 1.067 365 D HN -0.016 nan 8.370 nan 0.000 0.511 366 P HA -0.151 nan 4.420 nan 0.000 0.216 366 P C 1.088 178.339 177.300 -0.082 0.000 1.153 366 P CA 1.361 64.404 63.100 -0.095 0.000 0.858 366 P CB 0.373 31.877 31.700 -0.326 0.000 0.789 367 K N -0.282 120.011 120.400 -0.179 0.000 2.097 367 K HA -0.125 4.193 4.320 -0.002 0.000 0.206 367 K C 1.897 178.602 176.600 0.176 0.000 1.049 367 K CA 1.132 57.423 56.287 0.007 0.000 0.933 367 K CB -0.266 32.225 32.500 -0.015 0.000 0.717 367 K HN 0.140 nan 8.250 nan 0.000 0.442 368 K N 0.774 121.248 120.400 0.123 0.000 2.167 368 K HA 0.006 4.324 4.320 -0.002 0.000 0.203 368 K C 2.125 178.806 176.600 0.134 0.000 1.052 368 K CA 0.826 57.185 56.287 0.120 0.000 0.956 368 K CB -0.108 32.441 32.500 0.083 0.000 0.735 368 K HN 0.179 nan 8.250 nan 0.000 0.451 369 I N -0.003 120.668 120.570 0.168 0.000 2.233 369 I HA -0.278 3.891 4.170 -0.002 0.000 0.243 369 I C 2.408 178.751 176.117 0.376 0.000 1.093 369 I CA 1.032 62.470 61.300 0.230 0.000 1.380 369 I CB -0.322 37.805 38.000 0.211 0.000 1.067 369 I HN 0.020 nan 8.210 nan 0.000 0.413 370 Y N 1.726 122.226 120.300 0.334 0.000 2.128 370 Y HA -0.341 4.208 4.550 -0.002 0.000 0.284 370 Y C 2.535 178.637 175.900 0.336 0.000 1.154 370 Y CA 1.631 60.002 58.100 0.450 0.000 1.149 370 Y CB -0.322 38.449 38.460 0.518 0.000 0.976 370 Y HN 0.138 nan 8.280 nan 0.000 0.505 371 A N 0.390 123.428 122.820 0.364 0.000 1.908 371 A HA -0.193 4.125 4.320 -0.002 0.000 0.218 371 A C 2.406 180.003 177.584 0.021 0.000 1.181 371 A CA 2.092 54.245 52.037 0.193 0.000 0.627 371 A CB -1.526 17.578 19.000 0.174 0.000 0.818 371 A HN 0.625 nan 8.150 nan 0.000 0.445 372 A N -1.435 121.367 122.820 -0.030 0.000 1.898 372 A HA 0.042 4.361 4.320 -0.002 0.000 0.216 372 A C 1.952 179.313 177.584 -0.372 0.000 1.181 372 A CA 1.441 53.352 52.037 -0.210 0.000 0.620 372 A CB -0.677 18.149 19.000 -0.290 0.000 0.819 372 A HN 0.473 nan 8.150 nan 0.000 0.442 373 F N -0.259 119.469 119.950 -0.369 0.000 2.325 373 F HA -0.013 4.513 4.527 -0.002 0.000 0.299 373 F C 2.247 177.715 175.800 -0.554 0.000 1.090 373 F CA 1.551 59.138 58.000 -0.690 0.000 1.392 373 F CB 0.060 38.195 39.000 -1.443 0.000 1.053 373 F HN 0.107 nan 8.300 nan 0.000 0.521 374 K N 1.030 121.341 120.400 -0.149 0.000 2.062 374 K HA -0.125 4.194 4.320 -0.002 0.000 0.205 374 K C 2.076 178.674 176.600 -0.003 0.000 1.051 374 K CA 1.320 57.626 56.287 0.031 0.000 0.941 374 K CB -0.323 32.107 32.500 -0.116 0.000 0.719 374 K HN -0.132 nan 8.250 nan 0.000 0.440 375 K N 0.227 120.592 120.400 -0.058 0.000 2.057 375 K HA -0.040 4.279 4.320 -0.002 0.000 0.207 375 K C 1.892 178.439 176.600 -0.088 0.000 1.049 375 K CA 1.338 57.589 56.287 -0.060 0.000 0.931 375 K CB -0.290 32.165 32.500 -0.075 0.000 0.714 375 K HN 0.195 nan 8.250 nan 0.000 0.440 376 A N 1.143 123.874 122.820 -0.148 0.000 1.902 376 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 376 A C 2.123 179.652 177.584 -0.092 0.000 1.181 376 A CA 1.712 53.653 52.037 -0.160 0.000 0.623 376 A CB -0.571 18.280 19.000 -0.248 0.000 0.818 376 A HN 0.518 nan 8.150 nan 0.000 0.443 377 Q N -0.699 119.084 119.800 -0.028 0.000 2.170 377 Q HA -0.212 4.127 4.340 -0.002 0.000 0.203 377 Q C 1.739 177.749 176.000 0.017 0.000 0.976 377 Q CA 1.779 57.609 55.803 0.046 0.000 0.858 377 Q CB -0.057 28.791 28.738 0.183 0.000 0.907 377 Q HN 0.808 nan 8.270 nan 0.000 0.433 378 E N -0.552 119.648 120.200 0.000 0.000 2.230 378 E HA 0.004 4.353 4.350 -0.002 0.000 0.192 378 E C -0.059 176.521 176.600 -0.033 0.000 0.987 378 E CA 0.384 56.780 56.400 -0.007 0.000 0.841 378 E CB 0.421 30.121 29.700 0.000 0.000 0.783 378 E HN 0.150 nan 8.360 nan 0.000 0.481 379 T N 2.545 117.064 114.554 -0.057 0.000 2.888 379 T HA 0.099 4.448 4.350 -0.002 0.000 0.301 379 T C 0.053 174.698 174.700 -0.092 0.000 1.001 379 T CA 0.225 62.278 62.100 -0.078 0.000 1.147 379 T CB 0.592 69.398 68.868 -0.102 0.000 0.931 379 T HN -0.106 nan 8.240 nan 0.000 0.541 380 K N 1.238 121.587 120.400 -0.086 0.000 2.350 380 K HA 0.619 4.938 4.320 -0.002 0.000 0.241 380 K C 1.129 177.667 176.600 -0.103 0.000 0.994 380 K CA -0.619 55.614 56.287 -0.091 0.000 0.839 380 K CB 1.893 34.354 32.500 -0.064 0.000 1.244 380 K HN 0.742 nan 8.250 nan 0.000 0.443 381 G N 0.911 109.645 108.800 -0.111 0.000 2.225 381 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.254 381 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.254 381 G C -0.053 174.751 174.900 -0.160 0.000 0.988 381 G CA 1.078 46.109 45.100 -0.115 0.000 0.625 381 G HN 0.684 nan 8.290 nan 0.000 0.527 382 K N -1.296 118.978 120.400 -0.209 0.000 2.658 382 K HA 0.753 5.071 4.320 -0.002 0.000 0.293 382 K C -0.376 175.972 176.600 -0.420 0.000 1.026 382 K CA -0.380 55.720 56.287 -0.311 0.000 0.871 382 K CB 0.655 33.000 32.500 -0.259 0.000 1.524 382 K HN 1.310 nan 8.250 nan 0.000 0.400 383 A N 0.799 123.192 122.820 -0.713 0.000 2.286 383 A HA 0.613 4.932 4.320 -0.002 0.000 0.286 383 A C -0.551 176.666 177.584 -0.611 0.000 1.097 383 A CA -0.263 51.232 52.037 -0.903 0.000 0.821 383 A CB 0.774 18.701 19.000 -1.788 0.000 1.076 383 A HN 0.588 nan 8.150 nan 0.000 0.490 384 T N 0.410 114.746 114.554 -0.364 0.000 2.863 384 T HA 0.521 4.870 4.350 -0.002 0.000 0.285 384 T C -0.979 173.778 174.700 0.096 0.000 1.009 384 T CA -0.356 61.685 62.100 -0.097 0.000 0.989 384 T CB 1.462 70.232 68.868 -0.163 0.000 1.004 384 T HN 0.961 nan 8.240 nan 0.000 0.455 385 V N 4.628 124.607 119.914 0.109 0.000 2.487 385 V HA 0.622 4.740 4.120 -0.002 0.000 0.298 385 V C -1.066 174.886 176.094 -0.236 0.000 1.028 385 V CA -0.887 61.381 62.300 -0.054 0.000 0.860 385 V CB 0.905 32.489 31.823 -0.399 0.000 0.991 385 V HN 0.847 nan 8.190 nan 0.000 0.427 386 I N 7.516 127.900 120.570 -0.309 0.000 2.321 386 I HA 0.375 4.544 4.170 -0.002 0.000 0.291 386 I C -0.362 175.546 176.117 -0.348 0.000 0.998 386 I CA -0.373 60.697 61.300 -0.383 0.000 1.227 386 I CB 1.458 39.109 38.000 -0.581 0.000 1.368 386 I HN 0.421 nan 8.210 nan 0.000 0.466 387 L N 7.175 128.204 121.223 -0.324 0.000 2.287 387 L HA 0.511 4.850 4.340 -0.002 0.000 0.280 387 L C 0.387 177.085 176.870 -0.288 0.000 1.055 387 L CA -0.476 54.181 54.840 -0.304 0.000 0.863 387 L CB 0.806 42.678 42.059 -0.311 0.000 1.245 387 L HN 0.623 nan 8.230 nan 0.000 0.432 388 A N 2.656 125.330 122.820 -0.242 0.000 2.302 388 A HA 0.206 4.525 4.320 -0.002 0.000 0.295 388 A C -0.261 177.216 177.584 -0.178 0.000 1.235 388 A CA -0.313 51.598 52.037 -0.209 0.000 0.876 388 A CB -0.126 18.773 19.000 -0.168 0.000 1.133 388 A HN 0.760 nan 8.150 nan 0.000 0.533 389 H N 2.994 121.850 119.070 -0.358 0.000 2.864 389 H HA 0.360 4.915 4.556 -0.002 0.000 0.281 389 H C 0.389 175.525 175.328 -0.319 0.000 1.093 389 H CA 0.639 56.459 56.048 -0.381 0.000 1.453 389 H CB 0.475 29.888 29.762 -0.582 0.000 1.462 389 H HN 0.820 nan 8.280 nan 0.000 0.480 390 T N 2.195 116.596 114.554 -0.255 0.000 2.831 390 T HA 0.487 4.836 4.350 -0.002 0.000 0.287 390 T C -0.284 174.396 174.700 -0.034 0.000 1.070 390 T CA -0.980 60.943 62.100 -0.295 0.000 1.010 390 T CB 1.659 70.309 68.868 -0.363 0.000 1.264 390 T HN 0.392 nan 8.240 nan 0.000 0.532 391 I N 1.082 121.835 120.570 0.305 0.000 2.382 391 I HA 0.403 4.572 4.170 -0.002 0.000 0.286 391 I C 0.148 176.428 176.117 0.271 0.000 1.002 391 I CA -0.908 60.543 61.300 0.251 0.000 1.135 391 I CB 1.741 39.910 38.000 0.283 0.000 1.288 391 I HN 0.623 nan 8.210 nan 0.000 0.448 392 K N 4.714 125.229 120.400 0.192 0.000 2.368 392 K HA 0.321 4.640 4.320 -0.002 0.000 0.282 392 K C 0.999 177.730 176.600 0.218 0.000 1.035 392 K CA 0.763 57.168 56.287 0.196 0.000 0.973 392 K CB 0.539 33.135 32.500 0.159 0.000 0.957 392 K HN 0.897 nan 8.250 nan 0.000 0.474 393 G N 3.305 112.249 108.800 0.240 0.000 2.147 393 G HA2 -0.322 3.636 3.960 -0.002 0.000 0.244 393 G HA3 -0.322 3.636 3.960 -0.002 0.000 0.244 393 G C -0.287 174.773 174.900 0.267 0.000 1.005 393 G CA 0.310 45.548 45.100 0.230 0.000 0.713 393 G HN 0.758 nan 8.290 nan 0.000 0.515 394 Y N 0.593 120.997 120.300 0.173 0.000 2.881 394 Y HA 0.265 4.814 4.550 -0.002 0.000 0.335 394 Y C 1.592 177.662 175.900 0.283 0.000 1.263 394 Y CA 1.324 59.513 58.100 0.149 0.000 1.572 394 Y CB 0.274 38.784 38.460 0.083 0.000 1.237 394 Y HN 1.516 nan 8.280 nan 0.000 0.568 395 G N 5.285 113.900 108.800 -0.307 0.000 2.166 395 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.260 395 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.260 395 G C 0.666 175.739 174.900 0.287 0.000 0.986 395 G CA 0.743 45.746 45.100 -0.162 0.000 0.683 395 G HN 0.695 nan 8.290 nan 0.000 0.527 396 M N -0.513 119.264 119.600 0.296 0.000 2.516 396 M HA 0.278 4.756 4.480 -0.002 0.000 0.259 396 M C 2.440 178.856 176.300 0.193 0.000 1.146 396 M CA 0.984 56.479 55.300 0.325 0.000 1.122 396 M CB -0.030 32.704 32.600 0.223 0.000 1.341 396 M HN 0.818 nan 8.290 nan 0.000 0.478 397 G N 2.505 111.386 108.800 0.135 0.000 2.805 397 G HA2 -0.448 3.511 3.960 -0.002 0.000 0.360 397 G HA3 -0.448 3.511 3.960 -0.002 0.000 0.360 397 G C 0.599 175.448 174.900 -0.085 0.000 1.164 397 G CA 1.235 46.306 45.100 -0.048 0.000 0.954 397 G HN 0.508 nan 8.290 nan 0.000 0.597 398 D N 1.362 121.626 120.400 -0.228 0.000 2.248 398 D HA -0.233 4.406 4.640 -0.002 0.000 0.189 398 D C 2.645 178.930 176.300 -0.025 0.000 1.011 398 D CA 2.855 56.784 54.000 -0.120 0.000 0.868 398 D CB -0.924 39.794 40.800 -0.136 0.000 0.931 398 D HN 0.875 nan 8.370 nan 0.000 0.449 399 A N 1.912 124.740 122.820 0.014 0.000 1.819 399 A HA 0.285 4.604 4.320 -0.002 0.000 0.215 399 A C 1.498 179.120 177.584 0.064 0.000 1.226 399 A CA 1.909 53.976 52.037 0.051 0.000 0.608 399 A CB -0.673 18.378 19.000 0.085 0.000 0.877 399 A HN 0.450 nan 8.150 nan 0.000 0.452 415 D N 0.411 120.848 120.400 0.061 0.000 2.213 415 D HA 0.150 4.789 4.640 -0.002 0.000 0.205 415 D C 1.848 178.213 176.300 0.108 0.000 0.961 415 D CA 1.654 55.697 54.000 0.072 0.000 0.853 415 D CB 0.083 40.909 40.800 0.044 0.000 0.967 415 D HN 0.517 nan 8.370 nan 0.000 0.496 416 G N 0.346 109.201 108.800 0.093 0.000 2.421 416 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.217 416 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.217 416 G C 1.745 176.763 174.900 0.196 0.000 1.143 416 G CA 0.334 45.510 45.100 0.127 0.000 0.784 416 G HN 0.202 nan 8.290 nan 0.000 0.541 417 V N 0.387 120.390 119.914 0.148 0.000 2.453 417 V HA -0.049 4.069 4.120 -0.002 0.000 0.247 417 V C 2.832 179.093 176.094 0.278 0.000 1.048 417 V CA 1.289 63.693 62.300 0.173 0.000 1.049 417 V CB -0.350 31.530 31.823 0.094 0.000 0.672 417 V HN 0.262 nan 8.190 nan 0.000 0.457 418 R N -0.853 119.774 120.500 0.212 0.000 2.115 418 R HA -0.139 4.199 4.340 -0.002 0.000 0.230 418 R C 2.341 178.746 176.300 0.176 0.000 1.111 418 R CA 1.330 57.538 56.100 0.181 0.000 0.976 418 R CB -0.545 29.830 30.300 0.124 0.000 0.870 418 R HN 0.680 nan 8.270 nan 0.000 0.445 419 H N 1.385 120.522 119.070 0.112 0.000 2.293 419 H HA -0.151 4.404 4.556 -0.002 0.000 0.300 419 H C 2.115 177.515 175.328 0.119 0.000 1.082 419 H CA 2.133 58.232 56.048 0.085 0.000 1.308 419 H CB -0.026 29.778 29.762 0.070 0.000 1.375 419 H HN 0.249 nan 8.280 nan 0.000 0.495 420 I N -0.249 120.384 120.570 0.104 0.000 2.439 420 I HA -0.114 4.055 4.170 -0.002 0.000 0.251 420 I C 2.687 178.985 176.117 0.301 0.000 1.139 420 I CA 1.022 62.448 61.300 0.210 0.000 1.438 420 I CB -0.401 37.862 38.000 0.438 0.000 1.085 420 I HN -0.008 nan 8.210 nan 0.000 0.427 421 R N 1.389 122.068 120.500 0.298 0.000 2.073 421 R HA -0.178 4.161 4.340 -0.002 0.000 0.234 421 R C 1.653 177.950 176.300 -0.006 0.000 1.134 421 R CA 2.305 58.474 56.100 0.114 0.000 0.952 421 R CB -0.695 29.630 30.300 0.041 0.000 0.850 421 R HN 0.488 nan 8.270 nan 0.000 0.433 422 D N -0.041 120.337 120.400 -0.037 0.000 2.091 422 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 422 D C 1.961 178.155 176.300 -0.177 0.000 0.980 422 D CA 0.950 54.895 54.000 -0.091 0.000 0.831 422 D CB -0.401 40.352 40.800 -0.077 0.000 0.987 422 D HN 0.068 nan 8.370 nan 0.000 0.460 423 R N 0.430 120.724 120.500 -0.344 0.000 2.119 423 R HA -0.151 4.188 4.340 -0.002 0.000 0.246 423 R C 1.291 177.163 176.300 -0.713 0.000 1.146 423 R CA 1.341 57.064 56.100 -0.627 0.000 0.962 423 R CB -0.705 29.005 30.300 -0.984 0.000 0.863 423 R HN 0.184 nan 8.270 nan 0.000 0.442 424 F N -0.136 119.772 119.950 -0.069 0.000 2.647 424 F HA 0.327 4.853 4.527 -0.002 0.000 0.300 424 F C -0.156 175.636 175.800 -0.014 0.000 1.106 424 F CA -0.490 57.504 58.000 -0.009 0.000 1.313 424 F CB -0.467 38.565 39.000 0.054 0.000 1.007 424 F HN 0.012 nan 8.300 nan 0.000 0.536 425 N N 0.224 118.942 118.700 0.031 0.000 2.686 425 N HA -0.170 4.569 4.740 -0.002 0.000 0.261 425 N C -0.854 174.654 175.510 -0.003 0.000 1.001 425 N CA 0.052 53.102 53.050 -0.001 0.000 0.764 425 N CB -1.108 37.383 38.487 0.006 0.000 0.898 425 N HN 0.006 nan 8.380 nan 0.000 0.544 426 V N 1.111 120.988 119.914 -0.062 0.000 2.530 426 V HA 0.219 4.337 4.120 -0.002 0.000 0.282 426 V C -1.243 174.685 176.094 -0.276 0.000 1.048 426 V CA -1.140 61.041 62.300 -0.199 0.000 0.997 426 V CB 1.101 32.654 31.823 -0.450 0.000 0.987 426 V HN 0.191 nan 8.190 nan 0.000 0.477 427 P HA 0.139 nan 4.420 nan 0.000 0.235 427 P C -0.666 176.489 177.300 -0.241 0.000 1.720 427 P CA 0.289 63.291 63.100 -0.164 0.000 1.003 427 P CB -0.022 31.645 31.700 -0.055 0.000 1.968 428 V N 1.228 120.952 119.914 -0.317 0.000 2.577 428 V HA 0.240 4.359 4.120 -0.002 0.000 0.303 428 V C 0.668 176.663 176.094 -0.165 0.000 1.042 428 V CA -0.610 61.521 62.300 -0.282 0.000 0.872 428 V CB 2.093 33.611 31.823 -0.507 0.000 0.998 428 V HN 0.351 nan 8.190 nan 0.000 0.423 429 S N 2.028 117.676 115.700 -0.085 0.000 2.632 429 S HA 0.246 4.715 4.470 -0.002 0.000 0.267 429 S C 0.628 175.214 174.600 -0.024 0.000 1.276 429 S CA -0.474 57.697 58.200 -0.048 0.000 0.998 429 S CB 1.032 64.215 63.200 -0.028 0.000 0.953 429 S HN 0.660 nan 8.310 nan 0.000 0.547 430 D N 0.969 121.362 120.400 -0.012 0.000 2.309 430 D HA 0.036 4.674 4.640 -0.002 0.000 0.212 430 D C 1.868 178.176 176.300 0.013 0.000 0.968 430 D CA 1.352 55.356 54.000 0.006 0.000 0.882 430 D CB -0.509 40.295 40.800 0.006 0.000 0.918 430 D HN 0.698 nan 8.370 nan 0.000 0.503 431 A N 0.122 122.946 122.820 0.006 0.000 2.123 431 A HA -0.058 4.261 4.320 -0.002 0.000 0.214 431 A C 1.490 179.083 177.584 0.014 0.000 1.152 431 A CA 0.884 52.926 52.037 0.009 0.000 0.728 431 A CB 0.247 19.249 19.000 0.004 0.000 0.814 431 A HN -0.037 nan 8.150 nan 0.000 0.464 432 D N -1.083 119.327 120.400 0.018 0.000 2.422 432 D HA 0.099 4.738 4.640 -0.002 0.000 0.218 432 D C 1.678 178.017 176.300 0.064 0.000 1.047 432 D CA -0.081 53.937 54.000 0.030 0.000 0.885 432 D CB -0.104 40.709 40.800 0.022 0.000 1.035 432 D HN 0.366 nan 8.370 nan 0.000 0.502 433 I N 1.603 122.221 120.570 0.079 0.000 2.236 433 I HA -0.332 3.837 4.170 -0.002 0.000 0.249 433 I C 1.193 177.391 176.117 0.135 0.000 1.102 433 I CA 1.614 63.010 61.300 0.160 0.000 1.365 433 I CB 0.237 38.322 38.000 0.142 0.000 1.051 433 I HN -0.069 nan 8.210 nan 0.000 0.420 434 E N 0.388 120.631 120.200 0.070 0.000 2.418 434 E HA -0.172 4.177 4.350 -0.002 0.000 0.197 434 E C 1.593 178.200 176.600 0.011 0.000 1.026 434 E CA 0.608 57.031 56.400 0.038 0.000 0.862 434 E CB -0.214 29.500 29.700 0.024 0.000 0.799 434 E HN 0.368 nan 8.360 nan 0.000 0.518 435 K N 0.528 120.937 120.400 0.014 0.000 2.444 435 K HA 0.223 4.542 4.320 -0.002 0.000 0.193 435 K C -0.229 176.331 176.600 -0.068 0.000 1.024 435 K CA -0.053 56.221 56.287 -0.022 0.000 1.077 435 K CB 0.024 32.517 32.500 -0.012 0.000 0.833 435 K HN 0.015 nan 8.250 nan 0.000 0.517 436 L N 1.351 122.548 121.223 -0.044 0.000 3.795 436 L HA -0.183 4.156 4.340 -0.002 0.000 0.489 436 L C -2.259 174.466 176.870 -0.242 0.000 1.259 436 L CA -0.581 54.169 54.840 -0.150 0.000 0.765 436 L CB -1.523 40.392 42.059 -0.239 0.000 1.519 436 L HN 0.119 nan 8.230 nan 0.000 0.842 437 P HA 0.213 nan 4.420 nan 0.000 0.276 437 P C -0.580 176.735 177.300 0.026 0.000 1.244 437 P CA -0.199 62.859 63.100 -0.070 0.000 0.801 437 P CB 0.696 32.439 31.700 0.073 0.000 1.006 438 Y N 0.282 120.643 120.300 0.103 0.000 2.320 438 Y HA 0.363 4.912 4.550 -0.002 0.000 0.324 438 Y C 1.054 177.082 175.900 0.213 0.000 1.190 438 Y CA -0.404 57.750 58.100 0.089 0.000 1.215 438 Y CB 0.455 38.798 38.460 -0.195 0.000 1.221 438 Y HN 0.143 nan 8.280 nan 0.000 0.486 439 I N 2.372 123.190 120.570 0.414 0.000 2.437 439 I HA 0.428 4.597 4.170 -0.002 0.000 0.298 439 I C -0.232 175.913 176.117 0.046 0.000 0.984 439 I CA -0.439 60.941 61.300 0.133 0.000 1.214 439 I CB 1.556 39.530 38.000 -0.042 0.000 1.365 439 I HN 0.670 nan 8.210 nan 0.000 0.469 440 T N 1.589 116.058 114.554 -0.142 0.000 2.906 440 T HA 0.598 4.947 4.350 -0.002 0.000 0.295 440 T C -0.806 173.691 174.700 -0.339 0.000 1.075 440 T CA -0.699 61.254 62.100 -0.245 0.000 1.005 440 T CB 1.641 70.449 68.868 -0.099 0.000 1.136 440 T HN 0.076 nan 8.240 nan 0.000 0.498 441 F N 2.635 122.624 119.950 0.065 0.000 2.402 441 F HA 0.505 5.031 4.527 -0.002 0.000 0.355 441 F C -1.994 173.863 175.800 0.094 0.000 1.123 441 F CA -2.582 55.480 58.000 0.103 0.000 1.021 441 F CB 1.222 40.311 39.000 0.149 0.000 1.160 441 F HN 0.358 nan 8.300 nan 0.000 0.451 442 P HA -0.001 nan 4.420 nan 0.000 0.269 442 P C -0.235 176.930 177.300 -0.224 0.000 1.215 442 P CA -0.259 62.840 63.100 -0.002 0.000 0.780 442 P CB 0.824 32.532 31.700 0.013 0.000 0.898 443 E N 0.369 120.300 120.200 -0.449 0.000 2.366 443 E HA 0.212 4.561 4.350 -0.002 0.000 0.266 443 E C 1.099 177.535 176.600 -0.273 0.000 1.015 443 E CA 1.081 57.051 56.400 -0.716 0.000 0.906 443 E CB -0.158 29.291 29.700 -0.419 0.000 0.979 443 E HN 0.810 nan 8.360 nan 0.000 0.443 444 G N 3.042 111.755 108.800 -0.145 0.000 2.238 444 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.217 444 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.217 444 G C 0.300 175.217 174.900 0.028 0.000 0.996 444 G CA 0.187 45.276 45.100 -0.020 0.000 0.632 444 G HN 0.693 nan 8.290 nan 0.000 0.503 445 S N 0.249 115.977 115.700 0.047 0.000 2.580 445 S HA 0.535 5.004 4.470 -0.002 0.000 0.274 445 S C 1.072 175.714 174.600 0.069 0.000 1.329 445 S CA 0.760 59.002 58.200 0.070 0.000 1.036 445 S CB 2.208 65.478 63.200 0.116 0.000 0.919 445 S HN 0.432 nan 8.310 nan 0.000 0.515 446 E N 1.436 121.645 120.200 0.014 0.000 2.070 446 E HA -0.255 4.093 4.350 -0.002 0.000 0.197 446 E C 1.586 178.154 176.600 -0.054 0.000 1.004 446 E CA 2.030 58.426 56.400 -0.006 0.000 0.805 446 E CB -0.158 29.518 29.700 -0.040 0.000 0.744 446 E HN 0.872 nan 8.360 nan 0.000 0.451 447 E N -0.489 119.572 120.200 -0.230 0.000 2.051 447 E HA -0.214 4.135 4.350 -0.002 0.000 0.192 447 E C 2.010 178.455 176.600 -0.259 0.000 0.991 447 E CA 1.361 57.453 56.400 -0.513 0.000 0.799 447 E CB -0.320 28.467 29.700 -1.521 0.000 0.748 447 E HN 0.354 nan 8.360 nan 0.000 0.449 448 H N 0.283 119.278 119.070 -0.126 0.000 2.353 448 H HA -0.076 4.479 4.556 -0.002 0.000 0.300 448 H C 1.613 177.064 175.328 0.206 0.000 1.090 448 H CA 1.909 58.037 56.048 0.133 0.000 1.327 448 H CB 0.089 29.970 29.762 0.199 0.000 1.383 448 H HN 0.139 nan 8.280 nan 0.000 0.508 449 T N 0.345 115.054 114.554 0.257 0.000 2.674 449 T HA -0.206 4.142 4.350 -0.002 0.000 0.265 449 T C 1.809 176.587 174.700 0.130 0.000 1.039 449 T CA 1.653 63.875 62.100 0.204 0.000 1.150 449 T CB -0.867 68.097 68.868 0.160 0.000 0.864 449 T HN 0.399 nan 8.240 nan 0.000 0.427 450 Y N 1.544 121.830 120.300 -0.022 0.000 2.181 450 Y HA -0.094 4.455 4.550 -0.002 0.000 0.288 450 Y C 2.221 178.072 175.900 -0.082 0.000 1.146 450 Y CA 0.945 59.015 58.100 -0.050 0.000 1.164 450 Y CB -0.548 37.870 38.460 -0.069 0.000 0.982 450 Y HN 0.098 nan 8.280 nan 0.000 0.515 451 L N -0.325 120.949 121.223 0.084 0.000 2.013 451 L HA -0.298 4.041 4.340 -0.002 0.000 0.212 451 L C 2.331 179.088 176.870 -0.187 0.000 1.073 451 L CA 2.220 57.013 54.840 -0.080 0.000 0.753 451 L CB -0.965 40.958 42.059 -0.226 0.000 0.890 451 L HN 0.313 nan 8.230 nan 0.000 0.432 452 H N -0.808 118.232 119.070 -0.050 0.000 2.436 452 H HA 0.128 4.683 4.556 -0.002 0.000 0.294 452 H C 2.154 177.444 175.328 -0.063 0.000 1.048 452 H CA 1.066 57.115 56.048 0.002 0.000 1.353 452 H CB -0.218 29.515 29.762 -0.049 0.000 1.414 452 H HN 0.540 nan 8.280 nan 0.000 0.536 453 A N 1.403 124.217 122.820 -0.010 0.000 1.902 453 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 453 A C 2.349 179.811 177.584 -0.203 0.000 1.181 453 A CA 1.262 53.234 52.037 -0.108 0.000 0.623 453 A CB -0.188 18.719 19.000 -0.156 0.000 0.818 453 A HN 0.257 nan 8.150 nan 0.000 0.443 454 Q N -0.490 119.128 119.800 -0.302 0.000 2.084 454 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 454 Q C 2.201 178.080 176.000 -0.200 0.000 0.978 454 Q CA 1.132 56.745 55.803 -0.316 0.000 0.844 454 Q CB -0.430 28.076 28.738 -0.386 0.000 0.898 454 Q HN 0.499 nan 8.270 nan 0.000 0.426 455 R N 0.476 120.883 120.500 -0.154 0.000 2.073 455 R HA -0.040 4.299 4.340 -0.002 0.000 0.229 455 R C 2.111 178.248 176.300 -0.272 0.000 1.120 455 R CA 0.811 56.796 56.100 -0.192 0.000 0.967 455 R CB -0.363 29.784 30.300 -0.255 0.000 0.862 455 R HN 0.263 nan 8.270 nan 0.000 0.436 456 Q N 0.943 120.611 119.800 -0.220 0.000 2.124 456 Q HA -0.078 4.261 4.340 -0.002 0.000 0.202 456 Q C 1.817 177.709 176.000 -0.179 0.000 0.977 456 Q CA 1.414 57.111 55.803 -0.178 0.000 0.850 456 Q CB -0.147 28.541 28.738 -0.084 0.000 0.901 456 Q HN 0.183 nan 8.270 nan 0.000 0.429 457 K N -0.342 119.945 120.400 -0.188 0.000 2.362 457 K HA 0.010 4.329 4.320 -0.002 0.000 0.200 457 K C 1.085 177.493 176.600 -0.320 0.000 1.046 457 K CA 0.511 56.671 56.287 -0.213 0.000 0.952 457 K CB 0.149 32.538 32.500 -0.185 0.000 0.753 457 K HN 0.121 nan 8.250 nan 0.000 0.466 458 L N -0.193 120.855 121.223 -0.292 0.000 2.872 458 L HA 0.170 4.509 4.340 -0.002 0.000 0.245 458 L C -0.608 176.113 176.870 -0.249 0.000 1.211 458 L CA -0.001 54.662 54.840 -0.295 0.000 1.013 458 L CB -0.264 41.737 42.059 -0.096 0.000 1.326 458 L HN 0.407 nan 8.230 nan 0.000 0.525 459 H N -1.813 117.218 119.070 -0.065 0.000 3.270 459 H HA -0.132 4.423 4.556 -0.002 0.000 0.215 459 H C 0.917 176.174 175.328 -0.117 0.000 1.133 459 H CA 0.333 56.342 56.048 -0.064 0.000 1.150 459 H CB -1.283 28.469 29.762 -0.016 0.000 1.166 459 H HN 0.595 nan 8.280 nan 0.000 0.315 460 G N -1.339 107.348 108.800 -0.189 0.000 2.341 460 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.196 460 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.196 460 G C -1.371 173.148 174.900 -0.635 0.000 1.231 460 G CA -0.467 44.361 45.100 -0.453 0.000 1.155 460 G HN 0.241 nan 8.290 nan 0.000 0.529 461 Y N 0.388 120.747 120.300 0.099 0.000 2.509 461 Y HA 0.816 5.365 4.550 -0.002 0.000 0.341 461 Y C 0.723 176.670 175.900 0.077 0.000 1.038 461 Y CA -0.595 57.565 58.100 0.100 0.000 1.089 461 Y CB 1.974 40.465 38.460 0.052 0.000 1.241 461 Y HN 0.870 nan 8.280 nan 0.000 0.468 462 L N 0.418 121.807 121.223 0.277 0.000 2.469 462 L HA 0.841 5.180 4.340 -0.002 0.000 0.256 462 L C -3.126 173.818 176.870 0.124 0.000 1.006 462 L CA -2.418 52.508 54.840 0.143 0.000 0.832 462 L CB 2.608 44.774 42.059 0.179 0.000 1.421 462 L HN 0.270 nan 8.230 nan 0.000 0.410 463 P HA 0.255 nan 4.420 nan 0.000 0.275 463 P C -0.923 176.012 177.300 -0.609 0.000 1.228 463 P CA -0.055 62.820 63.100 -0.376 0.000 0.786 463 P CB 1.685 33.061 31.700 -0.541 0.000 0.927 464 S N 1.527 117.031 115.700 -0.327 0.000 2.570 464 S HA 0.673 5.142 4.470 -0.002 0.000 0.270 464 S C -1.308 173.199 174.600 -0.154 0.000 1.149 464 S CA -0.846 57.214 58.200 -0.233 0.000 0.837 464 S CB 1.964 65.112 63.200 -0.086 0.000 1.124 464 S HN 0.641 nan 8.310 nan 0.000 0.465 465 R N 1.713 122.156 120.500 -0.096 0.000 2.584 465 R HA 0.387 4.726 4.340 -0.002 0.000 0.276 465 R C -1.755 174.528 176.300 -0.028 0.000 1.046 465 R CA -0.486 55.568 56.100 -0.077 0.000 0.906 465 R CB 1.814 32.065 30.300 -0.081 0.000 1.215 465 R HN 0.793 nan 8.270 nan 0.000 0.449 466 Q N 6.297 126.082 119.800 -0.025 0.000 2.372 466 Q HA 0.304 4.643 4.340 -0.002 0.000 0.259 466 Q C -1.915 174.105 176.000 0.032 0.000 0.993 466 Q CA -2.101 53.710 55.803 0.014 0.000 0.854 466 Q CB 1.748 30.503 28.738 0.029 0.000 1.231 466 Q HN 0.438 nan 8.270 nan 0.000 0.462 467 P HA -0.046 nan 4.420 nan 0.000 0.223 467 P C -0.446 176.993 177.300 0.231 0.000 1.151 467 P CA 0.786 63.957 63.100 0.119 0.000 0.787 467 P CB 0.448 32.195 31.700 0.077 0.000 0.788 468 N N -0.181 118.612 118.700 0.155 0.000 2.258 468 N HA 0.292 5.031 4.740 -0.002 0.000 0.299 468 N C -0.528 175.075 175.510 0.154 0.000 1.047 468 N CA -0.782 52.329 53.050 0.102 0.000 0.814 468 N CB 1.255 39.688 38.487 -0.089 0.000 1.413 468 N HN -0.074 nan 8.380 nan 0.000 0.478 469 F N -0.886 119.201 119.950 0.228 0.000 2.410 469 F HA 0.357 4.883 4.527 -0.001 0.000 0.334 469 F C 1.857 177.723 175.800 0.110 0.000 1.134 469 F CA -0.662 57.453 58.000 0.191 0.000 1.227 469 F CB 0.203 39.358 39.000 0.259 0.000 1.194 469 F HN 0.495 nan 8.300 nan 0.000 0.571 470 T N -1.511 113.203 114.554 0.266 0.000 2.937 470 T HA 0.005 4.354 4.350 -0.002 0.000 0.260 470 T C 0.516 175.323 174.700 0.178 0.000 1.051 470 T CA 0.446 62.626 62.100 0.134 0.000 1.141 470 T CB -0.705 68.228 68.868 0.109 0.000 0.879 470 T HN 0.826 nan 8.240 nan 0.000 0.459 471 E N 1.328 121.729 120.200 0.334 0.000 2.408 471 E HA 0.164 4.513 4.350 -0.002 0.000 0.259 471 E C -0.350 176.453 176.600 0.339 0.000 1.110 471 E CA -0.689 55.881 56.400 0.284 0.000 0.929 471 E CB 0.604 30.446 29.700 0.237 0.000 0.971 471 E HN 0.260 nan 8.360 nan 0.000 0.438 472 K N 3.045 123.575 120.400 0.217 0.000 2.265 472 K HA 0.265 4.584 4.320 -0.002 0.000 0.267 472 K C -0.843 175.874 176.600 0.195 0.000 0.994 472 K CA -0.560 55.843 56.287 0.195 0.000 0.860 472 K CB 0.688 33.253 32.500 0.107 0.000 1.099 472 K HN 0.521 nan 8.250 nan 0.000 0.448 473 L N 3.284 124.651 121.223 0.240 0.000 2.357 473 L HA 0.279 4.618 4.340 -0.002 0.000 0.273 473 L C 0.260 177.210 176.870 0.133 0.000 1.080 473 L CA -0.705 54.237 54.840 0.170 0.000 0.803 473 L CB 1.225 43.394 42.059 0.182 0.000 1.174 473 L HN 0.473 nan 8.230 nan 0.000 0.443 474 E N 4.464 124.722 120.200 0.098 0.000 2.079 474 E HA 0.329 4.678 4.350 -0.002 0.000 0.252 474 E C -0.505 176.148 176.600 0.089 0.000 0.992 474 E CA -0.246 56.204 56.400 0.084 0.000 0.829 474 E CB 0.685 30.421 29.700 0.061 0.000 1.158 474 E HN 0.417 nan 8.360 nan 0.000 0.435 475 L N 3.630 124.922 121.223 0.115 0.000 2.436 475 L HA 0.247 4.586 4.340 -0.002 0.000 0.265 475 L C -1.647 175.315 176.870 0.153 0.000 1.168 475 L CA -1.737 53.186 54.840 0.139 0.000 0.815 475 L CB -0.088 42.066 42.059 0.158 0.000 1.109 475 L HN 0.125 nan 8.230 nan 0.000 0.462 476 P HA 0.079 nan 4.420 nan 0.000 0.271 476 P C -0.545 176.948 177.300 0.321 0.000 1.216 476 P CA -0.391 62.796 63.100 0.145 0.000 0.771 476 P CB 1.018 32.734 31.700 0.026 0.000 0.864 477 S N 2.584 118.398 115.700 0.190 0.000 2.634 477 S HA 0.083 4.552 4.470 -0.002 0.000 0.261 477 S C 1.220 175.840 174.600 0.034 0.000 1.271 477 S CA -0.644 57.667 58.200 0.185 0.000 0.985 477 S CB 0.136 63.380 63.200 0.073 0.000 0.968 477 S HN 0.337 nan 8.310 nan 0.000 0.568 478 L N 1.214 122.217 121.223 -0.366 0.000 2.093 478 L HA -0.078 4.261 4.340 -0.002 0.000 0.208 478 L C 2.877 179.748 176.870 0.001 0.000 1.085 478 L CA 2.152 56.770 54.840 -0.369 0.000 0.755 478 L CB -1.463 40.314 42.059 -0.470 0.000 0.904 478 L HN 0.994 nan 8.230 nan 0.000 0.435 479 Q N -1.093 118.684 119.800 -0.039 0.000 2.152 479 Q HA -0.284 4.055 4.340 -0.002 0.000 0.206 479 Q C 1.296 177.274 176.000 -0.038 0.000 0.985 479 Q CA 2.124 57.913 55.803 -0.023 0.000 0.863 479 Q CB -0.597 28.125 28.738 -0.027 0.000 0.904 479 Q HN 0.483 nan 8.270 nan 0.000 0.422 480 D N -0.104 120.245 120.400 -0.084 0.000 2.309 480 D HA -0.099 4.540 4.640 -0.002 0.000 0.212 480 D C 0.316 176.394 176.300 -0.370 0.000 0.968 480 D CA 0.796 54.653 54.000 -0.239 0.000 0.882 480 D CB -0.099 40.499 40.800 -0.337 0.000 0.918 480 D HN 0.342 nan 8.370 nan 0.000 0.503 481 F N -0.191 119.720 119.950 -0.064 0.000 2.730 481 F HA 0.296 4.822 4.527 -0.001 0.000 0.295 481 F C 2.075 177.849 175.800 -0.044 0.000 1.143 481 F CA -0.560 57.409 58.000 -0.051 0.000 1.367 481 F CB 0.295 39.265 39.000 -0.050 0.000 0.970 481 F HN -0.150 nan 8.300 nan 0.000 0.514 482 G N 0.667 109.499 108.800 0.052 0.000 2.491 482 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.218 482 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.218 482 G C 1.978 176.896 174.900 0.031 0.000 1.180 482 G CA 0.989 46.106 45.100 0.027 0.000 0.774 482 G HN 0.429 nan 8.290 nan 0.000 0.562 483 A N 0.201 123.032 122.820 0.018 0.000 2.024 483 A HA 0.069 4.388 4.320 -0.002 0.000 0.220 483 A C 2.389 180.000 177.584 0.044 0.000 1.164 483 A CA 1.346 53.394 52.037 0.018 0.000 0.643 483 A CB -0.322 18.678 19.000 0.000 0.000 0.806 483 A HN 0.393 nan 8.150 nan 0.000 0.451 484 L N -0.912 120.359 121.223 0.080 0.000 2.418 484 L HA 0.023 4.362 4.340 -0.002 0.000 0.218 484 L C 1.975 178.925 176.870 0.132 0.000 1.125 484 L CA 0.291 55.193 54.840 0.104 0.000 0.835 484 L CB -0.180 41.962 42.059 0.137 0.000 0.953 484 L HN 0.367 nan 8.230 nan 0.000 0.454 485 L N -0.862 120.423 121.223 0.104 0.000 2.418 485 L HA 0.009 4.347 4.340 -0.002 0.000 0.218 485 L C 0.709 177.593 176.870 0.022 0.000 1.125 485 L CA 0.272 55.159 54.840 0.078 0.000 0.835 485 L CB -0.085 41.983 42.059 0.016 0.000 0.953 485 L HN 0.200 nan 8.230 nan 0.000 0.454 486 E N 0.267 120.485 120.200 0.030 0.000 2.280 486 E HA 0.125 4.474 4.350 -0.002 0.000 0.264 486 E C -0.097 176.517 176.600 0.023 0.000 1.064 486 E CA -0.515 55.889 56.400 0.006 0.000 0.900 486 E CB 0.957 30.659 29.700 0.004 0.000 1.123 486 E HN 0.050 nan 8.360 nan 0.000 0.418 487 E N 1.479 121.683 120.200 0.006 0.000 2.413 487 E HA -0.071 4.278 4.350 -0.002 0.000 0.263 487 E C -0.692 175.914 176.600 0.010 0.000 1.015 487 E CA -0.310 56.087 56.400 -0.004 0.000 0.916 487 E CB 0.577 30.299 29.700 0.037 0.000 0.947 487 E HN 0.200 nan 8.360 nan 0.000 0.440 488 Q N 2.723 122.509 119.800 -0.022 0.000 2.243 488 Q HA 0.064 4.403 4.340 -0.002 0.000 0.252 488 Q C 0.379 176.423 176.000 0.073 0.000 0.909 488 Q CA -0.115 55.696 55.803 0.014 0.000 0.922 488 Q CB 1.791 30.525 28.738 -0.006 0.000 1.215 488 Q HN 0.719 nan 8.270 nan 0.000 0.427 489 S N 2.762 118.500 115.700 0.064 0.000 2.357 489 S HA -0.038 4.431 4.470 -0.002 0.000 0.221 489 S C 0.400 175.048 174.600 0.080 0.000 1.031 489 S CA 1.092 59.336 58.200 0.074 0.000 0.982 489 S CB 0.353 63.578 63.200 0.043 0.000 0.853 489 S HN 0.433 nan 8.310 nan 0.000 0.458 490 K N 1.327 121.760 120.400 0.056 0.000 2.087 490 K HA 0.336 4.654 4.320 -0.002 0.000 0.255 490 K C -0.532 176.105 176.600 0.062 0.000 0.988 490 K CA -0.320 55.998 56.287 0.050 0.000 0.915 490 K CB 0.842 33.357 32.500 0.024 0.000 1.043 490 K HN 0.275 nan 8.250 nan 0.000 0.457 491 E N 2.349 122.586 120.200 0.062 0.000 2.194 491 E HA 0.199 4.548 4.350 -0.002 0.000 0.284 491 E C -0.319 176.279 176.600 -0.004 0.000 1.035 491 E CA -0.243 56.195 56.400 0.063 0.000 0.836 491 E CB 0.581 30.336 29.700 0.093 0.000 1.070 491 E HN 0.382 nan 8.360 nan 0.000 0.401 492 I N -0.876 119.661 120.570 -0.056 0.000 3.445 492 I HA 0.636 4.805 4.170 -0.002 0.000 0.303 492 I C -0.232 175.746 176.117 -0.231 0.000 1.129 492 I CA -0.965 60.276 61.300 -0.100 0.000 0.989 492 I CB 2.047 40.012 38.000 -0.059 0.000 1.314 492 I HN 0.382 nan 8.210 nan 0.000 0.488 493 S N -0.834 114.751 115.700 -0.192 0.000 2.726 493 S HA 0.393 4.862 4.470 -0.002 0.000 0.308 493 S C 0.756 175.277 174.600 -0.132 0.000 1.115 493 S CA 0.115 58.162 58.200 -0.255 0.000 0.965 493 S CB 1.266 64.368 63.200 -0.162 0.000 1.145 493 S HN 0.839 nan 8.310 nan 0.000 0.532 494 T N -1.793 112.700 114.554 -0.102 0.000 3.007 494 T HA -0.038 4.311 4.350 -0.002 0.000 0.270 494 T C 1.467 176.192 174.700 0.042 0.000 1.107 494 T CA 1.539 63.629 62.100 -0.017 0.000 1.118 494 T CB -1.036 67.832 68.868 -0.000 0.000 0.889 494 T HN 0.633 nan 8.240 nan 0.000 0.506 495 T N 1.870 116.449 114.554 0.042 0.000 2.851 495 T HA 0.245 4.594 4.350 -0.002 0.000 0.262 495 T C 1.882 176.683 174.700 0.169 0.000 1.043 495 T CA 0.565 62.745 62.100 0.133 0.000 1.140 495 T CB -0.290 68.651 68.868 0.122 0.000 0.872 495 T HN 0.348 nan 8.240 nan 0.000 0.446 496 I N 1.465 122.072 120.570 0.062 0.000 2.286 496 I HA -0.153 4.016 4.170 -0.002 0.000 0.248 496 I C 2.859 178.981 176.117 0.010 0.000 1.115 496 I CA 0.889 62.201 61.300 0.021 0.000 1.392 496 I CB -0.364 37.626 38.000 -0.016 0.000 1.065 496 I HN 0.194 nan 8.210 nan 0.000 0.418 497 A N 0.832 123.669 122.820 0.027 0.000 1.902 497 A HA -0.270 4.049 4.320 -0.002 0.000 0.217 497 A C 2.205 179.813 177.584 0.041 0.000 1.181 497 A CA 1.605 53.659 52.037 0.029 0.000 0.623 497 A CB -0.927 18.093 19.000 0.034 0.000 0.818 497 A HN 0.506 nan 8.150 nan 0.000 0.443 498 F N 0.955 120.873 119.950 -0.052 0.000 2.075 498 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 498 F C 2.081 177.819 175.800 -0.103 0.000 1.113 498 F CA 2.009 59.961 58.000 -0.080 0.000 1.218 498 F CB -0.689 38.268 39.000 -0.072 0.000 0.984 498 F HN -0.002 nan 8.300 nan 0.000 0.472 499 V N 1.105 120.693 119.914 -0.543 0.000 2.392 499 V HA -0.297 3.822 4.120 -0.002 0.000 0.249 499 V C 2.575 178.426 176.094 -0.406 0.000 1.059 499 V CA 2.345 64.272 62.300 -0.622 0.000 1.051 499 V CB -0.808 30.874 31.823 -0.235 0.000 0.658 499 V HN 0.314 nan 8.190 nan 0.000 0.455 500 R N -0.140 120.223 120.500 -0.228 0.000 2.090 500 R HA -0.010 4.329 4.340 -0.002 0.000 0.228 500 R C 2.389 178.622 176.300 -0.112 0.000 1.110 500 R CA 1.301 57.319 56.100 -0.135 0.000 0.973 500 R CB -0.495 29.770 30.300 -0.059 0.000 0.869 500 R HN 0.530 nan 8.270 nan 0.000 0.440 501 A N 0.802 123.562 122.820 -0.100 0.000 1.969 501 A HA -0.077 4.242 4.320 -0.002 0.000 0.218 501 A C 2.061 179.591 177.584 -0.091 0.000 1.169 501 A CA 0.870 52.954 52.037 0.078 0.000 0.635 501 A CB -0.379 18.648 19.000 0.044 0.000 0.810 501 A HN 0.192 nan 8.150 nan 0.000 0.445 502 L N -0.281 120.692 121.223 -0.416 0.000 2.046 502 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 502 L C 2.219 178.914 176.870 -0.292 0.000 1.077 502 L CA 1.272 55.798 54.840 -0.523 0.000 0.747 502 L CB -0.553 41.057 42.059 -0.748 0.000 0.896 502 L HN 0.430 nan 8.230 nan 0.000 0.432 503 N N -0.388 118.169 118.700 -0.238 0.000 2.223 503 N HA -0.142 4.597 4.740 -0.002 0.000 0.185 503 N C 1.791 177.207 175.510 -0.156 0.000 1.016 503 N CA 1.063 54.014 53.050 -0.164 0.000 0.863 503 N CB -0.141 38.263 38.487 -0.138 0.000 0.983 503 N HN 0.139 nan 8.380 nan 0.000 0.429 504 V N 1.539 121.344 119.914 -0.182 0.000 2.407 504 V HA -0.166 3.953 4.120 -0.002 0.000 0.248 504 V C 2.258 178.193 176.094 -0.264 0.000 1.055 504 V CA 1.306 63.433 62.300 -0.288 0.000 1.049 504 V CB -0.338 31.161 31.823 -0.539 0.000 0.662 504 V HN 0.286 nan 8.190 nan 0.000 0.455 505 M N -1.030 118.470 119.600 -0.167 0.000 2.319 505 M HA -0.041 4.438 4.480 -0.002 0.000 0.265 505 M C 1.930 178.188 176.300 -0.071 0.000 1.068 505 M CA 1.529 56.782 55.300 -0.080 0.000 1.118 505 M CB -0.260 32.324 32.600 -0.027 0.000 1.395 505 M HN 0.246 nan 8.290 nan 0.000 0.435 506 L N -0.137 121.030 121.223 -0.093 0.000 2.551 506 L HA -0.104 4.235 4.340 -0.002 0.000 0.228 506 L C 2.026 178.861 176.870 -0.058 0.000 1.153 506 L CA 0.490 55.293 54.840 -0.062 0.000 0.851 506 L CB -0.291 41.728 42.059 -0.066 0.000 0.959 506 L HN 0.175 nan 8.230 nan 0.000 0.451 507 K N -0.653 119.698 120.400 -0.081 0.000 2.354 507 K HA 0.096 4.415 4.320 -0.002 0.000 0.194 507 K C 0.559 177.121 176.600 -0.063 0.000 1.038 507 K CA -0.006 56.237 56.287 -0.074 0.000 1.052 507 K CB 0.015 32.457 32.500 -0.097 0.000 0.861 507 K HN 0.169 nan 8.250 nan 0.000 0.535 508 N N 2.191 120.854 118.700 -0.061 0.000 2.405 508 N HA -0.011 4.728 4.740 -0.002 0.000 0.260 508 N C 0.613 176.113 175.510 -0.016 0.000 1.152 508 N CA 0.263 53.290 53.050 -0.038 0.000 0.948 508 N CB 1.031 39.503 38.487 -0.024 0.000 1.111 508 N HN -0.105 nan 8.380 nan 0.000 0.485 509 K N 1.706 122.099 120.400 -0.013 0.000 2.044 509 K HA -0.161 4.158 4.320 -0.002 0.000 0.210 509 K C 1.885 178.487 176.600 0.003 0.000 1.049 509 K CA 1.514 57.798 56.287 -0.006 0.000 0.927 509 K CB -0.141 32.357 32.500 -0.003 0.000 0.713 509 K HN 0.464 nan 8.250 nan 0.000 0.443 510 S N 0.277 115.984 115.700 0.012 0.000 2.356 510 S HA -0.098 4.370 4.470 -0.002 0.000 0.223 510 S C 1.702 176.310 174.600 0.014 0.000 1.032 510 S CA 1.575 59.788 58.200 0.021 0.000 1.005 510 S CB -0.163 63.060 63.200 0.039 0.000 0.867 510 S HN 0.454 nan 8.310 nan 0.000 0.449 511 I N -0.864 119.715 120.570 0.015 0.000 4.057 511 I HA 0.289 4.458 4.170 -0.002 0.000 0.334 511 I C 1.700 177.825 176.117 0.014 0.000 1.308 511 I CA 0.069 61.373 61.300 0.007 0.000 1.125 511 I CB -0.182 37.831 38.000 0.022 0.000 1.034 511 I HN 0.152 nan 8.210 nan 0.000 0.401 512 K N 1.352 121.757 120.400 0.009 0.000 2.074 512 K HA -0.208 4.111 4.320 -0.002 0.000 0.209 512 K C 0.980 177.591 176.600 0.019 0.000 1.048 512 K CA 2.314 58.605 56.287 0.008 0.000 0.926 512 K CB -0.458 32.038 32.500 -0.006 0.000 0.713 512 K HN 0.321 nan 8.250 nan 0.000 0.444 513 D N -0.188 120.217 120.400 0.008 0.000 2.340 513 D HA 0.018 4.657 4.640 -0.002 0.000 0.220 513 D C 1.438 177.749 176.300 0.018 0.000 1.039 513 D CA 0.229 54.232 54.000 0.005 0.000 0.866 513 D CB 0.295 41.083 40.800 -0.021 0.000 0.913 513 D HN 0.171 nan 8.370 nan 0.000 0.523 514 R N 0.161 120.673 120.500 0.020 0.000 2.246 514 R HA 0.191 4.530 4.340 -0.002 0.000 0.199 514 R C 0.838 177.179 176.300 0.068 0.000 0.984 514 R CA -0.086 56.024 56.100 0.017 0.000 1.015 514 R CB -0.250 30.016 30.300 -0.057 0.000 0.930 514 R HN 0.206 nan 8.270 nan 0.000 0.475 515 L N 1.365 122.654 121.223 0.110 0.000 2.453 515 L HA 0.124 4.463 4.340 -0.002 0.000 0.272 515 L C 0.036 177.060 176.870 0.258 0.000 1.182 515 L CA -0.076 54.890 54.840 0.209 0.000 0.858 515 L CB 0.731 42.913 42.059 0.204 0.000 1.120 515 L HN -0.253 nan 8.230 nan 0.000 0.474 516 V N 3.746 123.846 119.914 0.311 0.000 2.383 516 V HA 0.232 4.351 4.120 -0.002 0.000 0.264 516 V C -2.312 173.992 176.094 0.350 0.000 1.001 516 V CA -1.480 60.996 62.300 0.294 0.000 0.828 516 V CB 1.109 33.059 31.823 0.213 0.000 1.069 516 V HN 0.613 nan 8.190 nan 0.000 0.451 517 P HA 0.384 nan 4.420 nan 0.000 0.276 517 P C -0.502 177.011 177.300 0.354 0.000 1.243 517 P CA 0.253 63.596 63.100 0.407 0.000 0.768 517 P CB 0.736 32.627 31.700 0.318 0.000 0.856 518 I N 4.076 124.896 120.570 0.417 0.000 2.509 518 I HA 0.486 4.654 4.170 -0.002 0.000 0.293 518 I C -0.078 176.317 176.117 0.463 0.000 1.020 518 I CA -0.791 60.718 61.300 0.348 0.000 1.088 518 I CB 1.860 40.001 38.000 0.234 0.000 1.267 518 I HN 0.168 nan 8.210 nan 0.000 0.430 519 I N 3.974 124.764 120.570 0.366 0.000 2.828 519 I HA 0.598 4.767 4.170 -0.002 0.000 0.302 519 I C -0.386 175.946 176.117 0.359 0.000 1.101 519 I CA -0.268 61.280 61.300 0.413 0.000 1.031 519 I CB 2.312 40.551 38.000 0.398 0.000 1.231 519 I HN 0.635 nan 8.210 nan 0.000 0.427 520 A N 3.938 127.014 122.820 0.427 0.000 2.923 520 A HA 0.576 4.895 4.320 -0.002 0.000 0.343 520 A C 0.293 178.072 177.584 0.325 0.000 1.199 520 A CA 0.046 52.283 52.037 0.334 0.000 0.878 520 A CB -0.204 19.026 19.000 0.385 0.000 1.104 520 A HN 0.853 nan 8.150 nan 0.000 0.483 521 D N 0.246 120.808 120.400 0.271 0.000 4.059 521 D HA -0.174 4.465 4.640 -0.002 0.000 0.203 521 D C 0.159 176.643 176.300 0.308 0.000 1.123 521 D CA 2.155 56.304 54.000 0.249 0.000 2.357 521 D CB -1.103 39.824 40.800 0.212 0.000 1.180 521 D HN 0.526 nan 8.370 nan 0.000 0.422 522 E N 0.769 121.196 120.200 0.379 0.000 2.351 522 E HA 0.441 4.790 4.350 -0.002 0.000 0.266 522 E C 0.474 177.349 176.600 0.458 0.000 1.031 522 E CA 0.787 57.406 56.400 0.364 0.000 0.911 522 E CB 1.168 31.105 29.700 0.396 0.000 0.986 522 E HN 0.445 nan 8.360 nan 0.000 0.446 523 A N 4.215 127.234 122.820 0.331 0.000 1.917 523 A HA 0.074 4.393 4.320 -0.002 0.000 0.200 523 A C 1.891 179.541 177.584 0.110 0.000 1.671 523 A CA 0.020 52.265 52.037 0.346 0.000 1.034 523 A CB 0.044 19.303 19.000 0.433 0.000 1.057 523 A HN 0.407 nan 8.150 nan 0.000 0.507 524 R N 0.522 121.038 120.500 0.027 0.000 2.096 524 R HA -0.117 4.222 4.340 -0.002 0.000 0.240 524 R C 2.078 178.293 176.300 -0.142 0.000 1.139 524 R CA 2.546 58.612 56.100 -0.056 0.000 0.952 524 R CB -0.948 29.338 30.300 -0.023 0.000 0.854 524 R HN 0.546 nan 8.270 nan 0.000 0.436 525 T N -0.096 114.285 114.554 -0.288 0.000 2.803 525 T HA -0.130 4.219 4.350 -0.002 0.000 0.269 525 T C 0.831 175.168 174.700 -0.605 0.000 1.052 525 T CA 1.261 63.041 62.100 -0.534 0.000 1.136 525 T CB -0.196 68.135 68.868 -0.896 0.000 0.864 525 T HN 0.118 nan 8.240 nan 0.000 0.467 526 F N 0.637 120.560 119.950 -0.046 0.000 2.660 526 F HA 0.458 4.984 4.527 -0.002 0.000 0.302 526 F C 1.766 177.559 175.800 -0.011 0.000 1.103 526 F CA -0.983 57.000 58.000 -0.028 0.000 1.340 526 F CB -0.697 38.305 39.000 0.003 0.000 1.048 526 F HN 0.207 nan 8.300 nan 0.000 0.551 527 G N 0.738 109.555 108.800 0.028 0.000 2.321 527 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.287 527 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.287 527 G C 1.082 175.958 174.900 -0.040 0.000 1.018 527 G CA 0.535 45.621 45.100 -0.023 0.000 0.855 527 G HN 0.246 nan 8.290 nan 0.000 0.507 528 M N 0.113 119.698 119.600 -0.025 0.000 2.514 528 M HA 0.027 4.506 4.480 -0.002 0.000 0.258 528 M C 2.409 178.389 176.300 -0.533 0.000 1.119 528 M CA 1.328 56.575 55.300 -0.089 0.000 1.111 528 M CB -0.361 32.327 32.600 0.147 0.000 1.390 528 M HN 0.629 nan 8.290 nan 0.000 0.475 529 E N 0.257 120.041 120.200 -0.693 0.000 2.331 529 E HA -0.143 4.206 4.350 -0.002 0.000 0.199 529 E C 1.658 177.871 176.600 -0.645 0.000 1.008 529 E CA 1.603 57.326 56.400 -1.128 0.000 0.843 529 E CB -0.788 28.603 29.700 -0.514 0.000 0.761 529 E HN 0.463 nan 8.360 nan 0.000 0.507 530 G N 1.184 109.777 108.800 -0.344 0.000 2.511 530 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.217 530 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.217 530 G C 1.668 176.512 174.900 -0.093 0.000 1.133 530 G CA 0.201 45.202 45.100 -0.164 0.000 0.792 530 G HN 0.227 nan 8.290 nan 0.000 0.539 531 L N -0.204 120.959 121.223 -0.100 0.000 2.240 531 L HA 0.102 4.441 4.340 -0.002 0.000 0.211 531 L C 2.441 179.469 176.870 0.264 0.000 1.106 531 L CA 0.098 54.978 54.840 0.066 0.000 0.793 531 L CB -0.272 41.848 42.059 0.101 0.000 0.927 531 L HN 0.066 nan 8.230 nan 0.000 0.446 532 F N 1.083 121.062 119.950 0.048 0.000 2.120 532 F HA -0.236 4.289 4.527 -0.003 0.000 0.300 532 F C 2.677 178.502 175.800 0.041 0.000 1.095 532 F CA 1.195 59.229 58.000 0.057 0.000 1.249 532 F CB -1.134 37.902 39.000 0.061 0.000 0.995 532 F HN 0.201 nan 8.300 nan 0.000 0.480 533 R N 0.497 121.129 120.500 0.220 0.000 2.075 533 R HA -0.144 4.195 4.340 -0.002 0.000 0.232 533 R C 1.884 178.238 176.300 0.090 0.000 1.126 533 R CA 1.442 57.616 56.100 0.122 0.000 0.963 533 R CB -0.996 29.347 30.300 0.073 0.000 0.858 533 R HN 0.370 nan 8.270 nan 0.000 0.435 534 Q N 1.203 121.052 119.800 0.082 0.000 2.079 534 Q HA -0.033 4.306 4.340 -0.002 0.000 0.200 534 Q C 2.170 178.208 176.000 0.064 0.000 0.974 534 Q CA 1.678 57.514 55.803 0.054 0.000 0.840 534 Q CB -0.107 28.650 28.738 0.032 0.000 0.898 534 Q HN 0.579 nan 8.270 nan 0.000 0.430 535 I N -4.386 116.244 120.570 0.100 0.000 4.323 535 I HA 0.471 4.639 4.170 -0.002 0.000 0.328 535 I C 0.828 177.007 176.117 0.103 0.000 1.310 535 I CA 0.051 61.408 61.300 0.095 0.000 1.186 535 I CB 0.487 38.550 38.000 0.105 0.000 1.130 535 I HN 0.127 nan 8.210 nan 0.000 0.411 536 G N 2.621 111.492 108.800 0.119 0.000 2.795 536 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.664 536 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.664 536 G C -0.894 174.019 174.900 0.023 0.000 1.381 536 G CA -0.506 44.636 45.100 0.070 0.000 0.853 536 G HN 0.290 nan 8.290 nan 0.000 0.545 537 I N 0.686 121.229 120.570 -0.046 0.000 2.362 537 I HA 0.265 4.434 4.170 -0.002 0.000 0.289 537 I C 0.212 176.370 176.117 0.068 0.000 0.994 537 I CA -0.861 60.399 61.300 -0.066 0.000 1.158 537 I CB 1.598 39.454 38.000 -0.240 0.000 1.315 537 I HN 0.597 nan 8.210 nan 0.000 0.451 538 Y N 6.562 126.892 120.300 0.050 0.000 2.745 538 Y HA 0.045 4.593 4.550 -0.002 0.000 0.335 538 Y C 0.407 176.337 175.900 0.050 0.000 1.212 538 Y CA 0.352 58.516 58.100 0.106 0.000 1.535 538 Y CB 0.400 39.024 38.460 0.273 0.000 1.220 538 Y HN 0.492 nan 8.280 nan 0.000 0.531 539 S N 8.658 124.151 115.700 -0.345 0.000 2.356 539 S HA 0.405 4.874 4.470 -0.002 0.000 0.171 539 S C -2.623 171.739 174.600 -0.397 0.000 1.399 539 S CA -1.273 56.712 58.200 -0.358 0.000 1.225 539 S CB 0.058 63.154 63.200 -0.173 0.000 1.271 539 S HN 0.528 nan 8.310 nan 0.000 0.427 559 D N -1.100 119.268 120.400 -0.053 0.000 2.752 559 D HA 0.095 4.734 4.640 -0.002 0.000 0.313 559 D C 0.834 177.079 176.300 -0.093 0.000 1.225 559 D CA -0.610 53.339 54.000 -0.086 0.000 0.976 559 D CB 0.110 40.873 40.800 -0.061 0.000 1.443 559 D HN 0.105 nan 8.370 nan 0.000 0.515 560 E N -0.669 119.439 120.200 -0.154 0.000 2.331 560 E HA -0.149 4.200 4.350 -0.002 0.000 0.199 560 E C 1.119 177.791 176.600 0.119 0.000 1.008 560 E CA 1.016 57.323 56.400 -0.155 0.000 0.843 560 E CB -0.070 29.377 29.700 -0.423 0.000 0.761 560 E HN 0.152 nan 8.360 nan 0.000 0.507 561 K N 1.027 121.460 120.400 0.055 0.000 2.374 561 K HA 0.160 4.479 4.320 -0.002 0.000 0.196 561 K C 0.481 177.135 176.600 0.090 0.000 1.023 561 K CA 0.241 56.559 56.287 0.051 0.000 1.103 561 K CB 0.266 32.767 32.500 0.002 0.000 0.848 561 K HN 0.182 nan 8.250 nan 0.000 0.528 562 G N 0.850 109.745 108.800 0.159 0.000 2.321 562 G HA2 -0.112 3.847 3.960 -0.002 0.000 0.237 562 G HA3 -0.112 3.847 3.960 -0.002 0.000 0.237 562 G C 0.243 175.295 174.900 0.253 0.000 1.282 562 G CA -0.149 45.056 45.100 0.175 0.000 0.886 562 G HN 0.418 nan 8.290 nan 0.000 0.528 563 Q N 1.609 121.527 119.800 0.197 0.000 2.297 563 Q HA 0.134 4.473 4.340 -0.002 0.000 0.203 563 Q C 0.955 177.150 176.000 0.324 0.000 0.931 563 Q CA 0.065 56.016 55.803 0.247 0.000 0.885 563 Q CB 0.060 28.896 28.738 0.162 0.000 0.991 563 Q HN 0.651 nan 8.270 nan 0.000 0.498 564 I N 2.068 122.779 120.570 0.236 0.000 2.529 564 I HA 0.066 4.235 4.170 -0.002 0.000 0.284 564 I C -0.495 175.737 176.117 0.193 0.000 1.082 564 I CA -0.205 61.219 61.300 0.208 0.000 1.406 564 I CB 0.981 39.078 38.000 0.161 0.000 1.405 564 I HN 0.155 nan 8.210 nan 0.000 0.548 565 L N 6.309 127.629 121.223 0.161 0.000 2.264 565 L HA 0.321 4.660 4.340 -0.002 0.000 0.289 565 L C -0.219 176.733 176.870 0.138 0.000 1.044 565 L CA -0.512 54.410 54.840 0.137 0.000 0.807 565 L CB 1.164 43.240 42.059 0.027 0.000 1.192 565 L HN 0.548 nan 8.230 nan 0.000 0.425 566 Q N 2.904 122.778 119.800 0.124 0.000 2.372 566 Q HA 0.182 4.521 4.340 -0.002 0.000 0.259 566 Q C -0.179 175.891 176.000 0.117 0.000 0.993 566 Q CA -0.143 55.728 55.803 0.113 0.000 0.854 566 Q CB 1.292 30.061 28.738 0.050 0.000 1.231 566 Q HN 0.404 nan 8.270 nan 0.000 0.462 567 E N 3.279 123.551 120.200 0.120 0.000 2.476 567 E HA 0.236 4.585 4.350 -0.002 0.000 0.196 567 E C 0.586 177.248 176.600 0.103 0.000 1.029 567 E CA 0.484 56.950 56.400 0.110 0.000 0.896 567 E CB 0.324 30.052 29.700 0.047 0.000 1.012 567 E HN 0.944 nan 8.360 nan 0.000 0.475 568 G N 2.085 110.954 108.800 0.115 0.000 2.697 568 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.240 568 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.240 568 G C 0.157 175.120 174.900 0.105 0.000 1.346 568 G CA -0.259 44.904 45.100 0.105 0.000 0.887 568 G HN 0.259 nan 8.290 nan 0.000 0.569 569 I N 1.781 122.397 120.570 0.076 0.000 2.352 569 I HA 0.228 4.397 4.170 -0.002 0.000 0.303 569 I C 0.576 176.702 176.117 0.014 0.000 1.194 569 I CA 0.252 61.581 61.300 0.047 0.000 1.518 569 I CB -0.458 37.551 38.000 0.015 0.000 1.489 569 I HN 0.414 nan 8.210 nan 0.000 0.702 570 N N 3.886 122.598 118.700 0.019 0.000 2.976 570 N HA 0.095 4.834 4.740 -0.002 0.000 0.220 570 N C 0.406 175.881 175.510 -0.059 0.000 1.428 570 N CA -0.158 52.879 53.050 -0.023 0.000 0.748 570 N CB 0.773 39.261 38.487 0.002 0.000 1.484 570 N HN 0.212 nan 8.380 nan 0.000 0.578 571 E N 1.197 121.369 120.200 -0.048 0.000 2.153 571 E HA -0.010 4.339 4.350 -0.002 0.000 0.194 571 E C 1.606 178.106 176.600 -0.166 0.000 0.988 571 E CA 0.760 57.134 56.400 -0.044 0.000 0.811 571 E CB 0.238 29.923 29.700 -0.024 0.000 0.746 571 E HN 0.563 nan 8.360 nan 0.000 0.466 572 L N -0.301 120.823 121.223 -0.165 0.000 2.027 572 L HA -0.083 4.256 4.340 -0.002 0.000 0.206 572 L C 2.230 178.887 176.870 -0.355 0.000 1.074 572 L CA 1.567 56.288 54.840 -0.200 0.000 0.745 572 L CB -0.695 41.291 42.059 -0.122 0.000 0.898 572 L HN 0.324 nan 8.230 nan 0.000 0.433 573 G N -0.910 107.632 108.800 -0.430 0.000 2.422 573 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.218 573 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.218 573 G C 1.632 175.909 174.900 -1.038 0.000 1.146 573 G CA 0.776 45.265 45.100 -1.019 0.000 0.769 573 G HN 0.539 nan 8.290 nan 0.000 0.547 574 A N 0.755 123.212 122.820 -0.606 0.000 1.930 574 A HA 0.216 4.535 4.320 -0.002 0.000 0.217 574 A C 2.674 179.797 177.584 -0.768 0.000 1.175 574 A CA 1.906 53.543 52.037 -0.667 0.000 0.627 574 A CB -0.874 17.660 19.000 -0.777 0.000 0.815 574 A HN 0.500 nan 8.150 nan 0.000 0.443 575 G N -1.243 107.174 108.800 -0.638 0.000 2.443 575 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.219 575 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.219 575 G C 1.480 176.273 174.900 -0.177 0.000 1.131 575 G CA 1.250 46.115 45.100 -0.392 0.000 0.775 575 G HN 0.509 nan 8.290 nan 0.000 0.547 576 C N 0.175 119.290 119.300 -0.310 0.000 2.457 576 C HA 0.091 4.550 4.460 -0.002 0.000 0.278 576 C C 3.338 178.257 174.990 -0.119 0.000 1.309 576 C CA 1.084 59.986 59.018 -0.194 0.000 1.735 576 C CB -0.616 26.946 27.740 -0.298 0.000 1.992 576 C HN 0.401 nan 8.230 nan 0.000 0.493 577 S N -0.661 114.917 115.700 -0.203 0.000 2.368 577 S HA -0.198 4.270 4.470 -0.002 0.000 0.224 577 S C 1.427 175.916 174.600 -0.185 0.000 1.029 577 S CA 1.288 59.436 58.200 -0.087 0.000 0.988 577 S CB -0.395 62.783 63.200 -0.036 0.000 0.838 577 S HN 0.826 nan 8.310 nan 0.000 0.462 578 W N 2.059 123.162 121.300 -0.329 0.000 2.338 578 W HA -0.131 4.528 4.660 -0.002 0.000 0.304 578 W C 1.796 178.164 176.519 -0.251 0.000 1.212 578 W CA 1.003 58.190 57.345 -0.263 0.000 1.264 578 W CB -0.412 28.916 29.460 -0.219 0.000 1.142 578 W HN 0.265 nan 8.180 nan 0.000 0.512 579 L N 1.494 122.723 121.223 0.010 0.000 2.093 579 L HA 0.033 4.372 4.340 -0.002 0.000 0.208 579 L C 2.374 179.092 176.870 -0.253 0.000 1.085 579 L CA 2.543 57.313 54.840 -0.117 0.000 0.755 579 L CB -1.404 40.710 42.059 0.091 0.000 0.904 579 L HN 0.062 nan 8.230 nan 0.000 0.435 580 A N -0.489 122.158 122.820 -0.289 0.000 1.898 580 A HA -0.039 4.280 4.320 -0.002 0.000 0.216 580 A C 2.427 179.518 177.584 -0.822 0.000 1.181 580 A CA 1.694 53.497 52.037 -0.391 0.000 0.620 580 A CB -1.047 17.753 19.000 -0.333 0.000 0.819 580 A HN 0.546 nan 8.150 nan 0.000 0.442 581 A N -0.313 121.799 122.820 -1.180 0.000 1.897 581 A HA 0.299 4.618 4.320 -0.002 0.000 0.215 581 A C 2.392 179.683 177.584 -0.488 0.000 1.181 581 A CA 1.623 53.005 52.037 -1.091 0.000 0.620 581 A CB -0.883 17.638 19.000 -0.799 0.000 0.821 581 A HN 1.053 nan 8.150 nan 0.000 0.443 582 A N -0.388 122.071 122.820 -0.602 0.000 2.172 582 A HA 0.060 4.378 4.320 -0.002 0.000 0.216 582 A C 1.826 179.355 177.584 -0.092 0.000 1.154 582 A CA 1.936 53.685 52.037 -0.479 0.000 0.701 582 A CB -0.757 17.549 19.000 -1.155 0.000 0.789 582 A HN 0.767 nan 8.150 nan 0.000 0.465 583 T N -4.619 109.848 114.554 -0.145 0.000 3.200 583 T HA 0.223 4.572 4.350 -0.002 0.000 0.284 583 T C 1.284 175.844 174.700 -0.233 0.000 1.009 583 T CA 0.621 62.628 62.100 -0.155 0.000 0.907 583 T CB 0.150 68.948 68.868 -0.117 0.000 1.120 583 T HN 0.188 nan 8.240 nan 0.000 0.534 584 S N 1.464 117.125 115.700 -0.066 0.000 2.423 584 S HA -0.113 4.356 4.470 -0.002 0.000 0.231 584 S C 1.904 176.523 174.600 0.031 0.000 1.014 584 S CA 1.022 59.250 58.200 0.047 0.000 0.965 584 S CB -0.644 62.689 63.200 0.222 0.000 0.785 584 S HN 0.797 nan 8.310 nan 0.000 0.495 585 Y N 1.141 121.506 120.300 0.108 0.000 2.256 585 Y HA 0.039 4.588 4.550 -0.002 0.000 0.288 585 Y C 2.493 178.507 175.900 0.190 0.000 1.155 585 Y CA 1.403 59.588 58.100 0.140 0.000 1.203 585 Y CB -1.016 37.574 38.460 0.217 0.000 0.980 585 Y HN 0.349 nan 8.280 nan 0.000 0.530 586 S N -0.326 114.952 115.700 -0.703 0.000 2.444 586 S HA -0.077 4.392 4.470 -0.002 0.000 0.223 586 S C 1.845 176.335 174.600 -0.183 0.000 1.054 586 S CA 0.972 58.915 58.200 -0.428 0.000 0.947 586 S CB -0.935 61.851 63.200 -0.689 0.000 0.850 586 S HN 0.533 nan 8.310 nan 0.000 0.527 587 T N 2.928 117.376 114.554 -0.177 0.000 2.720 587 T HA 0.004 4.353 4.350 -0.002 0.000 0.268 587 T C 1.116 175.832 174.700 0.028 0.000 1.037 587 T CA 1.541 63.621 62.100 -0.035 0.000 1.144 587 T CB -0.317 68.593 68.868 0.070 0.000 0.864 587 T HN 0.493 nan 8.240 nan 0.000 0.444 588 N N 0.515 119.240 118.700 0.043 0.000 2.177 588 N HA 0.104 4.843 4.740 -0.002 0.000 0.218 588 N C 0.162 175.713 175.510 0.068 0.000 1.182 588 N CA -0.012 53.075 53.050 0.062 0.000 0.882 588 N CB 0.277 38.815 38.487 0.084 0.000 1.052 588 N HN 0.208 nan 8.380 nan 0.000 0.519 589 N N 0.834 119.583 118.700 0.082 0.000 2.721 589 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 589 N C -1.189 174.408 175.510 0.144 0.000 1.072 589 N CA 0.314 53.452 53.050 0.146 0.000 0.710 589 N CB -1.302 37.258 38.487 0.122 0.000 0.993 589 N HN 0.344 nan 8.380 nan 0.000 0.547 590 L N 0.445 121.737 121.223 0.115 0.000 2.485 590 L HA 0.565 4.904 4.340 -0.002 0.000 0.260 590 L C -2.388 174.511 176.870 0.050 0.000 0.998 590 L CA -1.590 53.289 54.840 0.066 0.000 0.883 590 L CB 1.443 43.535 42.059 0.056 0.000 1.196 590 L HN -0.075 nan 8.230 nan 0.000 0.443 591 P HA 0.122 nan 4.420 nan 0.000 0.263 591 P C -1.047 176.175 177.300 -0.130 0.000 1.195 591 P CA 0.219 63.245 63.100 -0.124 0.000 0.762 591 P CB 0.672 31.979 31.700 -0.655 0.000 0.799 592 M N 4.236 123.797 119.600 -0.066 0.000 2.326 592 M HA 0.403 4.882 4.480 -0.002 0.000 0.306 592 M C -0.122 176.024 176.300 -0.257 0.000 1.054 592 M CA -0.783 54.482 55.300 -0.059 0.000 0.922 592 M CB 1.714 34.435 32.600 0.202 0.000 1.632 592 M HN 0.184 nan 8.290 nan 0.000 0.436 593 I N 5.738 126.141 120.570 -0.278 0.000 2.388 593 I HA 0.304 4.473 4.170 -0.002 0.000 0.281 593 I C -2.085 173.957 176.117 -0.125 0.000 1.046 593 I CA -1.450 59.651 61.300 -0.332 0.000 1.187 593 I CB 1.173 38.966 38.000 -0.345 0.000 1.351 593 I HN 0.283 nan 8.210 nan 0.000 0.472 594 P HA 0.284 nan 4.420 nan 0.000 0.282 594 P C -0.918 176.404 177.300 0.036 0.000 1.249 594 P CA -0.266 62.813 63.100 -0.035 0.000 0.806 594 P CB 0.734 32.253 31.700 -0.302 0.000 0.984 595 F N 2.173 122.418 119.950 0.491 0.000 2.771 595 F HA 0.232 4.758 4.527 -0.002 0.000 0.365 595 F C -0.304 175.813 175.800 0.528 0.000 1.169 595 F CA -0.727 57.595 58.000 0.537 0.000 1.093 595 F CB 0.999 40.273 39.000 0.457 0.000 1.363 595 F HN 0.223 nan 8.300 nan 0.000 0.496 596 Y N 5.361 125.939 120.300 0.465 0.000 2.353 596 Y HA 0.634 5.183 4.550 -0.002 0.000 0.340 596 Y C -1.071 174.939 175.900 0.183 0.000 0.972 596 Y CA -1.996 56.271 58.100 0.277 0.000 1.157 596 Y CB 0.776 39.290 38.460 0.089 0.000 1.157 596 Y HN 0.531 nan 8.280 nan 0.000 0.495 597 I N 9.216 129.768 120.570 -0.031 0.000 2.441 597 I HA 0.526 4.695 4.170 -0.002 0.000 0.295 597 I C -1.685 174.013 176.117 -0.699 0.000 0.994 597 I CA -0.669 60.284 61.300 -0.579 0.000 1.144 597 I CB 0.949 38.584 38.000 -0.608 0.000 1.314 597 I HN 0.698 nan 8.210 nan 0.000 0.445 598 Y N 3.612 123.351 120.300 -0.934 0.000 2.788 598 Y HA 0.436 4.985 4.550 -0.002 0.000 0.335 598 Y C -1.842 173.935 175.900 -0.205 0.000 1.287 598 Y CA -1.490 56.317 58.100 -0.488 0.000 1.068 598 Y CB 0.247 38.482 38.460 -0.376 0.000 1.340 598 Y HN 0.326 nan 8.280 nan 0.000 0.449 599 Y N 2.181 122.668 120.300 0.312 0.000 2.605 599 Y HA 0.162 4.711 4.550 -0.002 0.000 0.336 599 Y C 1.868 177.772 175.900 0.007 0.000 1.111 599 Y CA 0.819 59.033 58.100 0.190 0.000 1.422 599 Y CB 0.853 39.463 38.460 0.249 0.000 1.193 599 Y HN 0.794 nan 8.280 nan 0.000 0.526 600 S N 2.047 117.701 115.700 -0.076 0.000 2.392 600 S HA -0.384 4.084 4.470 -0.002 0.000 0.232 600 S C 1.969 176.608 174.600 0.066 0.000 1.041 600 S CA 1.679 59.873 58.200 -0.010 0.000 1.026 600 S CB -0.397 62.809 63.200 0.010 0.000 0.845 600 S HN 0.818 nan 8.310 nan 0.000 0.465 601 M N 1.329 120.832 119.600 -0.161 0.000 2.202 601 M HA 0.080 4.559 4.480 -0.002 0.000 0.262 601 M C 0.534 176.703 176.300 -0.218 0.000 1.063 601 M CA 1.339 56.438 55.300 -0.334 0.000 1.097 601 M CB -0.840 31.363 32.600 -0.663 0.000 1.382 601 M HN 0.319 nan 8.290 nan 0.000 0.413 602 F N -0.333 119.711 119.950 0.157 0.000 2.701 602 F HA 0.424 4.950 4.527 -0.002 0.000 0.295 602 F C 1.557 177.346 175.800 -0.019 0.000 1.165 602 F CA -0.310 57.737 58.000 0.077 0.000 1.399 602 F CB -1.633 37.417 39.000 0.085 0.000 0.996 602 F HN 0.125 nan 8.300 nan 0.000 0.513 603 G N -0.263 108.621 108.800 0.140 0.000 3.380 603 G HA2 0.062 4.021 3.960 -0.002 0.000 0.188 603 G HA3 0.062 4.021 3.960 -0.002 0.000 0.188 603 G C 1.067 175.834 174.900 -0.221 0.000 1.892 603 G CA -0.198 44.802 45.100 -0.166 0.000 0.912 603 G HN 0.112 nan 8.290 nan 0.000 0.609 604 F N 0.879 120.752 119.950 -0.128 0.000 2.184 604 F HA -0.150 4.376 4.527 -0.002 0.000 0.301 604 F C 2.904 178.688 175.800 -0.027 0.000 1.076 604 F CA 1.873 59.814 58.000 -0.099 0.000 1.295 604 F CB -0.337 38.575 39.000 -0.146 0.000 1.026 604 F HN 0.346 nan 8.300 nan 0.000 0.494 605 Q N 0.456 120.363 119.800 0.177 0.000 2.050 605 Q HA -0.246 4.093 4.340 -0.002 0.000 0.202 605 Q C 2.321 178.390 176.000 0.115 0.000 0.980 605 Q CA 1.817 57.712 55.803 0.152 0.000 0.840 605 Q CB -0.060 28.779 28.738 0.168 0.000 0.898 605 Q HN 0.216 nan 8.270 nan 0.000 0.424 606 R N 0.532 121.093 120.500 0.102 0.000 2.140 606 R HA 0.086 4.425 4.340 -0.002 0.000 0.213 606 R C 1.445 177.749 176.300 0.007 0.000 1.059 606 R CA 1.292 57.435 56.100 0.072 0.000 1.000 606 R CB 0.090 30.458 30.300 0.114 0.000 0.910 606 R HN 0.536 nan 8.270 nan 0.000 0.455 607 I N -3.417 117.129 120.570 -0.041 0.000 3.707 607 I HA 0.517 4.685 4.170 -0.002 0.000 0.330 607 I C 0.951 177.040 176.117 -0.047 0.000 1.572 607 I CA -0.186 61.071 61.300 -0.073 0.000 1.104 607 I CB 0.801 38.709 38.000 -0.154 0.000 1.240 607 I HN 0.061 nan 8.210 nan 0.000 0.475 608 G N 1.332 110.148 108.800 0.028 0.000 2.475 608 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.220 608 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.220 608 G C 1.119 176.111 174.900 0.153 0.000 1.125 608 G CA 1.370 46.543 45.100 0.123 0.000 0.755 608 G HN 0.461 nan 8.290 nan 0.000 0.565 609 D N -0.342 120.119 120.400 0.102 0.000 2.178 609 D HA -0.038 4.601 4.640 -0.002 0.000 0.202 609 D C 2.329 178.737 176.300 0.181 0.000 0.974 609 D CA 0.301 54.381 54.000 0.133 0.000 0.841 609 D CB -0.113 40.732 40.800 0.075 0.000 0.953 609 D HN 0.245 nan 8.370 nan 0.000 0.478 610 L N -0.412 120.876 121.223 0.107 0.000 2.179 610 L HA -0.026 4.313 4.340 -0.002 0.000 0.208 610 L C 2.069 179.010 176.870 0.118 0.000 1.096 610 L CA 1.111 56.008 54.840 0.094 0.000 0.779 610 L CB -0.166 41.899 42.059 0.009 0.000 0.922 610 L HN 0.088 nan 8.230 nan 0.000 0.443 611 C N -1.313 118.053 119.300 0.110 0.000 2.440 611 C HA -0.159 4.300 4.460 -0.002 0.000 0.278 611 C C 2.476 177.684 174.990 0.364 0.000 1.295 611 C CA 0.493 59.608 59.018 0.160 0.000 1.738 611 C CB -1.314 26.507 27.740 0.135 0.000 1.987 611 C HN 0.812 nan 8.230 nan 0.000 0.492 612 W N 1.571 122.978 121.300 0.179 0.000 2.418 612 W HA -0.042 4.617 4.660 -0.002 0.000 0.292 612 W C 2.318 178.937 176.519 0.167 0.000 1.213 612 W CA 1.444 58.892 57.345 0.171 0.000 1.283 612 W CB -0.374 29.155 29.460 0.116 0.000 1.119 612 W HN 0.319 nan 8.180 nan 0.000 0.542 613 A N 0.767 123.768 122.820 0.303 0.000 1.969 613 A HA 0.003 4.322 4.320 -0.002 0.000 0.218 613 A C 2.114 179.792 177.584 0.157 0.000 1.169 613 A CA 1.990 54.155 52.037 0.213 0.000 0.635 613 A CB -1.090 18.050 19.000 0.234 0.000 0.810 613 A HN 0.253 nan 8.150 nan 0.000 0.445 614 A N -0.335 122.589 122.820 0.173 0.000 1.933 614 A HA 0.135 4.454 4.320 -0.002 0.000 0.218 614 A C 2.357 180.060 177.584 0.197 0.000 1.175 614 A CA 1.799 53.935 52.037 0.166 0.000 0.628 614 A CB -1.255 17.831 19.000 0.143 0.000 0.814 614 A HN 0.681 nan 8.150 nan 0.000 0.444 615 G N -0.465 108.479 108.800 0.239 0.000 2.422 615 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.218 615 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.218 615 G C 1.327 176.229 174.900 0.003 0.000 1.140 615 G CA 1.298 46.505 45.100 0.178 0.000 0.775 615 G HN 0.498 nan 8.290 nan 0.000 0.545 616 D N 0.162 120.527 120.400 -0.058 0.000 2.144 616 D HA -0.094 4.545 4.640 -0.002 0.000 0.200 616 D C 2.238 178.579 176.300 0.069 0.000 0.978 616 D CA 0.774 54.761 54.000 -0.022 0.000 0.833 616 D CB -0.216 40.602 40.800 0.031 0.000 0.961 616 D HN 0.410 nan 8.370 nan 0.000 0.470 617 Q N -0.426 119.431 119.800 0.095 0.000 2.415 617 Q HA 0.007 4.346 4.340 -0.002 0.000 0.206 617 Q C -0.221 175.832 176.000 0.088 0.000 0.946 617 Q CA 0.054 55.911 55.803 0.089 0.000 0.951 617 Q CB 0.112 28.917 28.738 0.112 0.000 1.026 617 Q HN 0.155 nan 8.270 nan 0.000 0.510 618 Q N -1.618 118.251 119.800 0.116 0.000 2.468 618 Q HA -0.212 4.126 4.340 -0.002 0.000 0.289 618 Q C -0.635 175.493 176.000 0.213 0.000 1.299 618 Q CA 0.943 56.841 55.803 0.159 0.000 0.838 618 Q CB -2.341 26.497 28.738 0.167 0.000 1.195 618 Q HN 0.480 nan 8.270 nan 0.000 0.456 619 A N 1.253 124.179 122.820 0.176 0.000 2.488 619 A HA 0.355 4.673 4.320 -0.002 0.000 0.249 619 A C 0.451 178.112 177.584 0.128 0.000 1.083 619 A CA 0.202 52.278 52.037 0.065 0.000 0.768 619 A CB 0.383 19.305 19.000 -0.130 0.000 1.017 619 A HN 0.299 nan 8.150 nan 0.000 0.496 620 R N 2.218 122.742 120.500 0.040 0.000 2.358 620 R HA 0.555 4.894 4.340 -0.002 0.000 0.309 620 R C 0.183 176.494 176.300 0.019 0.000 1.026 620 R CA 0.120 56.219 56.100 -0.001 0.000 0.909 620 R CB 1.714 31.807 30.300 -0.345 0.000 1.153 620 R HN 0.986 nan 8.270 nan 0.000 0.515 621 G N 1.625 110.439 108.800 0.023 0.000 2.554 621 G HA2 0.508 4.466 3.960 -0.002 0.000 0.306 621 G HA3 0.508 4.466 3.960 -0.002 0.000 0.306 621 G C -1.787 173.240 174.900 0.211 0.000 1.320 621 G CA -0.570 44.527 45.100 -0.006 0.000 0.800 621 G HN 0.229 nan 8.290 nan 0.000 0.481 622 F N 0.243 120.448 119.950 0.426 0.000 2.493 622 F HA 0.611 5.137 4.527 -0.001 0.000 0.329 622 F C 0.097 176.177 175.800 0.468 0.000 1.126 622 F CA -0.594 57.658 58.000 0.420 0.000 0.937 622 F CB 2.221 41.282 39.000 0.101 0.000 1.146 622 F HN 0.095 nan 8.300 nan 0.000 0.442 623 L N 5.222 126.734 121.223 0.482 0.000 2.287 623 L HA 0.509 4.848 4.340 -0.002 0.000 0.287 623 L C -0.729 176.289 176.870 0.247 0.000 1.022 623 L CA -0.625 54.323 54.840 0.181 0.000 0.814 623 L CB 1.228 43.295 42.059 0.013 0.000 1.217 623 L HN 0.435 nan 8.230 nan 0.000 0.420 624 I N 3.282 123.820 120.570 -0.055 0.000 2.359 624 I HA 0.246 4.415 4.170 -0.002 0.000 0.284 624 I C 0.752 176.422 176.117 -0.744 0.000 1.018 624 I CA -0.191 60.879 61.300 -0.383 0.000 1.173 624 I CB 1.311 38.881 38.000 -0.717 0.000 1.326 624 I HN 0.596 nan 8.210 nan 0.000 0.462 625 G N 5.383 113.853 108.800 -0.550 0.000 2.530 625 G HA2 0.459 4.418 3.960 -0.002 0.000 0.313 625 G HA3 0.459 4.418 3.960 -0.002 0.000 0.313 625 G C 0.490 175.096 174.900 -0.491 0.000 0.971 625 G CA -0.279 44.443 45.100 -0.630 0.000 1.237 625 G HN 0.733 nan 8.290 nan 0.000 0.446 626 G N 1.311 109.751 108.800 -0.601 0.000 2.616 626 G HA2 0.486 4.445 3.960 -0.002 0.000 0.268 626 G HA3 0.486 4.445 3.960 -0.002 0.000 0.268 626 G C 0.906 175.782 174.900 -0.039 0.000 1.213 626 G CA 0.452 45.401 45.100 -0.251 0.000 0.926 626 G HN 1.654 nan 8.290 nan 0.000 0.523 627 T N -2.430 112.153 114.554 0.047 0.000 3.639 627 T HA -0.197 4.152 4.350 -0.002 0.000 0.386 627 T C 0.553 175.266 174.700 0.022 0.000 0.764 627 T CA 0.803 62.920 62.100 0.029 0.000 1.954 627 T CB -2.636 66.241 68.868 0.015 0.000 1.755 627 T HN 1.721 nan 8.240 nan 0.000 0.715 628 S N -0.291 115.408 115.700 -0.003 0.000 2.713 628 S HA 0.839 5.308 4.470 -0.002 0.000 0.277 628 S C 0.844 175.408 174.600 -0.058 0.000 1.168 628 S CA -0.190 58.007 58.200 -0.006 0.000 0.994 628 S CB 1.525 64.761 63.200 0.061 0.000 1.054 628 S HN 2.442 nan 8.310 nan 0.000 0.555 629 G N 0.349 109.024 108.800 -0.208 0.000 2.879 629 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.686 629 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.686 629 G C -0.026 174.660 174.900 -0.357 0.000 1.115 629 G CA -0.021 44.826 45.100 -0.422 0.000 0.770 629 G HN 0.860 nan 8.290 nan 0.000 0.601 630 R N 0.477 120.682 120.500 -0.492 0.000 2.073 630 R HA -0.056 4.283 4.340 -0.002 0.000 0.234 630 R C 2.997 179.136 176.300 -0.269 0.000 1.134 630 R CA 3.201 59.047 56.100 -0.424 0.000 0.952 630 R CB -0.400 29.474 30.300 -0.709 0.000 0.850 630 R HN 1.096 nan 8.270 nan 0.000 0.433 631 T N -3.996 110.420 114.554 -0.231 0.000 3.081 631 T HA 0.078 4.426 4.350 -0.002 0.000 0.255 631 T C 1.455 176.146 174.700 -0.016 0.000 1.113 631 T CA 0.897 62.963 62.100 -0.057 0.000 1.082 631 T CB 0.123 68.978 68.868 -0.022 0.000 0.939 631 T HN 0.144 nan 8.240 nan 0.000 0.506 632 T N 1.971 116.501 114.554 -0.039 0.000 2.937 632 T HA 0.204 4.553 4.350 -0.002 0.000 0.260 632 T C 0.819 175.533 174.700 0.022 0.000 1.051 632 T CA 0.225 62.332 62.100 0.011 0.000 1.141 632 T CB -0.252 68.628 68.868 0.020 0.000 0.879 632 T HN 0.242 nan 8.240 nan 0.000 0.459 633 L N 4.531 125.761 121.223 0.011 0.000 2.796 633 L HA 0.284 4.623 4.340 -0.002 0.000 0.235 633 L C 1.509 178.400 176.870 0.036 0.000 1.344 633 L CA -0.488 54.373 54.840 0.035 0.000 1.245 633 L CB -0.817 41.281 42.059 0.065 0.000 1.556 633 L HN 0.155 nan 8.230 nan 0.000 0.423 634 N N -0.304 118.417 118.700 0.036 0.000 2.137 634 N HA -0.204 4.535 4.740 -0.002 0.000 0.190 634 N C 1.387 176.920 175.510 0.038 0.000 1.017 634 N CA 1.536 54.614 53.050 0.046 0.000 0.859 634 N CB -0.345 38.173 38.487 0.051 0.000 1.002 634 N HN 0.498 nan 8.380 nan 0.000 0.428 635 G N 0.486 109.298 108.800 0.019 0.000 2.494 635 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.216 635 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.216 635 G C 1.495 176.384 174.900 -0.018 0.000 1.140 635 G CA -0.000 45.102 45.100 0.003 0.000 0.801 635 G HN 0.187 nan 8.290 nan 0.000 0.536 636 E N 0.642 120.816 120.200 -0.042 0.000 2.110 636 E HA 0.106 4.455 4.350 -0.002 0.000 0.193 636 E C 1.818 178.413 176.600 -0.008 0.000 0.988 636 E CA 0.885 57.209 56.400 -0.128 0.000 0.804 636 E CB -0.395 29.144 29.700 -0.268 0.000 0.745 636 E HN 0.459 nan 8.360 nan 0.000 0.458 637 G N 0.662 109.501 108.800 0.065 0.000 2.545 637 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.216 637 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.216 637 G C 0.506 175.508 174.900 0.170 0.000 1.314 637 G CA -0.127 45.038 45.100 0.110 0.000 0.906 637 G HN 0.195 nan 8.290 nan 0.000 0.563 638 L N 0.672 121.994 121.223 0.166 0.000 1.991 638 L HA -0.150 4.189 4.340 -0.002 0.000 0.221 638 L C 2.505 179.508 176.870 0.222 0.000 1.079 638 L CA 3.365 58.325 54.840 0.202 0.000 0.778 638 L CB -1.345 40.778 42.059 0.107 0.000 0.893 638 L HN 0.782 nan 8.230 nan 0.000 0.437 639 Q N -2.149 117.774 119.800 0.205 0.000 2.365 639 Q HA -0.059 4.280 4.340 -0.002 0.000 0.203 639 Q C 1.000 177.005 176.000 0.009 0.000 0.929 639 Q CA 0.219 56.118 55.803 0.160 0.000 0.948 639 Q CB 0.214 29.048 28.738 0.159 0.000 1.043 639 Q HN 0.674 nan 8.270 nan 0.000 0.505 640 H N -0.632 118.454 119.070 0.028 0.000 2.735 640 H HA 0.157 4.712 4.556 -0.002 0.000 0.250 640 H C -0.178 175.098 175.328 -0.086 0.000 0.948 640 H CA -0.159 55.835 56.048 -0.089 0.000 1.137 640 H CB 0.826 30.587 29.762 -0.002 0.000 1.440 640 H HN 0.051 nan 8.280 nan 0.000 0.444 641 E N 2.314 122.579 120.200 0.109 0.000 2.161 641 E HA -0.006 4.343 4.350 -0.002 0.000 0.263 641 E C -0.708 175.853 176.600 -0.065 0.000 1.185 641 E CA -0.149 56.260 56.400 0.015 0.000 0.938 641 E CB 0.294 30.014 29.700 0.033 0.000 1.023 641 E HN 0.244 nan 8.360 nan 0.000 0.433 642 D N 2.721 123.028 120.400 -0.155 0.000 2.393 642 D HA 0.136 4.775 4.640 -0.002 0.000 0.232 642 D C 0.433 176.501 176.300 -0.387 0.000 1.192 642 D CA -0.387 53.448 54.000 -0.276 0.000 0.882 642 D CB 0.635 41.306 40.800 -0.216 0.000 1.038 642 D HN 0.454 nan 8.370 nan 0.000 0.499 643 G N 3.013 111.638 108.800 -0.292 0.000 3.899 643 G HA2 0.044 4.003 3.960 -0.002 0.000 0.293 643 G HA3 0.044 4.003 3.960 -0.002 0.000 0.293 643 G C 0.517 175.478 174.900 0.103 0.000 1.054 643 G CA -0.387 44.489 45.100 -0.374 0.000 0.846 643 G HN 0.712 nan 8.290 nan 0.000 0.525 644 H N -2.424 116.732 119.070 0.143 0.000 3.780 644 H HA 0.017 4.572 4.556 -0.002 0.000 0.266 644 H C 1.671 177.048 175.328 0.081 0.000 1.144 644 H CA 0.682 56.811 56.048 0.134 0.000 1.176 644 H CB -0.550 29.220 29.762 0.013 0.000 1.690 644 H HN 0.231 nan 8.280 nan 0.000 0.835 645 S N 0.786 116.423 115.700 -0.104 0.000 2.420 645 S HA -0.230 4.239 4.470 -0.002 0.000 0.237 645 S C 1.582 176.037 174.600 -0.242 0.000 1.023 645 S CA 1.374 59.516 58.200 -0.097 0.000 0.991 645 S CB -0.868 62.358 63.200 0.043 0.000 0.792 645 S HN 0.491 nan 8.310 nan 0.000 0.488 646 H N 0.717 119.627 119.070 -0.266 0.000 2.495 646 H HA 0.141 4.696 4.556 -0.002 0.000 0.287 646 H C 1.794 176.985 175.328 -0.229 0.000 1.033 646 H CA 1.207 57.021 56.048 -0.391 0.000 1.307 646 H CB 0.002 29.121 29.762 -1.072 0.000 1.401 646 H HN 0.392 nan 8.280 nan 0.000 0.555 647 I N 0.575 121.123 120.570 -0.036 0.000 2.406 647 I HA -0.156 4.013 4.170 -0.002 0.000 0.249 647 I C 2.122 178.204 176.117 -0.059 0.000 1.122 647 I CA 0.925 62.238 61.300 0.021 0.000 1.431 647 I CB -0.799 37.244 38.000 0.072 0.000 1.087 647 I HN 0.212 nan 8.210 nan 0.000 0.424 648 Q N 0.400 120.124 119.800 -0.126 0.000 2.123 648 Q HA -0.124 4.215 4.340 -0.002 0.000 0.199 648 Q C 2.404 178.136 176.000 -0.447 0.000 0.966 648 Q CA 1.906 57.597 55.803 -0.186 0.000 0.845 648 Q CB -0.065 28.616 28.738 -0.095 0.000 0.907 648 Q HN 0.555 nan 8.270 nan 0.000 0.439 649 S N 0.857 116.062 115.700 -0.824 0.000 2.406 649 S HA -0.113 4.356 4.470 -0.002 0.000 0.228 649 S C 1.923 176.261 174.600 -0.437 0.000 1.020 649 S CA 0.900 58.414 58.200 -1.142 0.000 0.965 649 S CB -0.375 61.986 63.200 -1.399 0.000 0.798 649 S HN 0.408 nan 8.310 nan 0.000 0.488 650 L N 1.959 123.050 121.223 -0.220 0.000 2.456 650 L HA 0.173 4.511 4.340 -0.002 0.000 0.224 650 L C 2.171 179.015 176.870 -0.043 0.000 1.148 650 L CA 1.532 56.324 54.840 -0.081 0.000 0.825 650 L CB -2.058 40.007 42.059 0.010 0.000 0.937 650 L HN 0.482 nan 8.230 nan 0.000 0.450 651 T N -2.738 111.794 114.554 -0.036 0.000 3.055 651 T HA 0.205 4.553 4.350 -0.002 0.000 0.265 651 T C 0.785 175.629 174.700 0.239 0.000 1.111 651 T CA 0.175 62.321 62.100 0.077 0.000 1.118 651 T CB -0.626 68.275 68.868 0.054 0.000 0.909 651 T HN 0.267 nan 8.240 nan 0.000 0.501 652 I N 3.100 123.753 120.570 0.139 0.000 2.301 652 I HA 0.278 4.447 4.170 -0.002 0.000 0.292 652 I C -1.518 174.560 176.117 -0.064 0.000 1.046 652 I CA -2.478 58.891 61.300 0.114 0.000 1.282 652 I CB 1.758 39.813 38.000 0.091 0.000 1.409 652 I HN -0.066 nan 8.210 nan 0.000 0.484 653 P HA -0.192 nan 4.420 nan 0.000 0.216 653 P C 0.421 177.627 177.300 -0.158 0.000 1.157 653 P CA 1.435 64.467 63.100 -0.113 0.000 0.880 653 P CB -0.063 31.565 31.700 -0.120 0.000 0.791 654 N N -1.589 116.989 118.700 -0.204 0.000 2.378 654 N HA 0.043 4.782 4.740 -0.002 0.000 0.243 654 N C -0.862 174.415 175.510 -0.388 0.000 1.137 654 N CA -0.417 52.506 53.050 -0.212 0.000 0.862 654 N CB -1.139 37.272 38.487 -0.127 0.000 1.116 654 N HN 0.070 nan 8.380 nan 0.000 0.499 655 C N 1.440 120.463 119.300 -0.461 0.000 2.319 655 C HA 0.593 5.052 4.460 -0.002 0.000 0.323 655 C C -0.678 174.094 174.990 -0.363 0.000 1.277 655 C CA -1.024 57.602 59.018 -0.653 0.000 1.517 655 C CB -0.529 26.845 27.740 -0.611 0.000 2.206 655 C HN 0.350 nan 8.230 nan 0.000 0.486 656 I N 6.316 126.665 120.570 -0.369 0.000 2.307 656 I HA 0.314 4.483 4.170 -0.002 0.000 0.289 656 I C 0.521 176.435 176.117 -0.338 0.000 1.021 656 I CA 0.339 61.362 61.300 -0.462 0.000 1.224 656 I CB 0.798 38.322 38.000 -0.794 0.000 1.376 656 I HN 0.676 nan 8.210 nan 0.000 0.470 657 S N 6.505 122.062 115.700 -0.238 0.000 2.525 657 S HA 0.732 5.201 4.470 -0.002 0.000 0.290 657 S C -0.910 173.608 174.600 -0.136 0.000 1.152 657 S CA -0.409 57.803 58.200 0.020 0.000 1.072 657 S CB 1.350 64.686 63.200 0.226 0.000 1.027 657 S HN 0.375 nan 8.310 nan 0.000 0.500 658 Y N 0.391 120.804 120.300 0.189 0.000 2.534 658 Y HA 0.380 4.929 4.550 -0.002 0.000 0.345 658 Y C -0.463 175.506 175.900 0.115 0.000 1.031 658 Y CA -0.964 57.210 58.100 0.124 0.000 1.022 658 Y CB 1.813 40.327 38.460 0.090 0.000 1.292 658 Y HN 0.572 nan 8.280 nan 0.000 0.459 659 D N 4.020 124.537 120.400 0.195 0.000 2.502 659 D HA 0.289 4.928 4.640 -0.002 0.000 0.301 659 D C -2.832 173.536 176.300 0.112 0.000 1.202 659 D CA -2.196 51.871 54.000 0.112 0.000 0.878 659 D CB 0.781 41.570 40.800 -0.018 0.000 1.062 659 D HN 0.043 nan 8.370 nan 0.000 0.499 660 P HA 0.138 nan 4.420 nan 0.000 0.269 660 P C 0.076 177.364 177.300 -0.021 0.000 1.209 660 P CA -0.151 62.971 63.100 0.037 0.000 0.776 660 P CB 1.932 33.647 31.700 0.025 0.000 0.876 661 A N 2.234 124.958 122.820 -0.160 0.000 1.973 661 A HA 0.149 4.468 4.320 -0.002 0.000 0.210 661 A C 0.307 177.724 177.584 -0.279 0.000 1.200 661 A CA 0.980 52.832 52.037 -0.310 0.000 0.707 661 A CB -0.449 18.128 19.000 -0.704 0.000 0.862 661 A HN 0.526 nan 8.150 nan 0.000 0.461 662 Y N -2.325 117.928 120.300 -0.078 0.000 2.567 662 Y HA 0.624 5.173 4.550 -0.002 0.000 0.333 662 Y C 1.459 177.195 175.900 -0.274 0.000 1.106 662 Y CA -1.165 56.799 58.100 -0.226 0.000 1.157 662 Y CB 1.154 39.243 38.460 -0.619 0.000 1.277 662 Y HN 0.082 nan 8.280 nan 0.000 0.490 663 A N 1.056 123.875 122.820 -0.002 0.000 1.933 663 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 663 A C 1.764 179.358 177.584 0.016 0.000 1.175 663 A CA 1.989 54.027 52.037 0.002 0.000 0.628 663 A CB -1.362 17.657 19.000 0.031 0.000 0.814 663 A HN 0.892 nan 8.150 nan 0.000 0.444 664 Y N -0.227 120.131 120.300 0.097 0.000 2.421 664 Y HA 0.014 4.563 4.550 -0.002 0.000 0.292 664 Y C 1.714 177.637 175.900 0.040 0.000 1.136 664 Y CA 1.030 59.159 58.100 0.048 0.000 1.255 664 Y CB -0.819 37.655 38.460 0.024 0.000 0.991 664 Y HN 0.413 nan 8.280 nan 0.000 0.552 665 E N 0.767 120.919 120.200 -0.080 0.000 2.072 665 E HA -0.137 4.212 4.350 -0.002 0.000 0.190 665 E C 2.448 179.038 176.600 -0.017 0.000 0.982 665 E CA 1.402 57.810 56.400 0.014 0.000 0.803 665 E CB -0.326 29.349 29.700 -0.042 0.000 0.755 665 E HN 0.422 nan 8.360 nan 0.000 0.453 666 V N 0.778 120.675 119.914 -0.027 0.000 2.490 666 V HA -0.196 3.923 4.120 -0.002 0.000 0.250 666 V C 2.078 178.134 176.094 -0.063 0.000 1.061 666 V CA 2.014 64.301 62.300 -0.020 0.000 1.064 666 V CB -0.289 31.547 31.823 0.023 0.000 0.670 666 V HN 0.250 nan 8.190 nan 0.000 0.461 667 A N -0.064 122.714 122.820 -0.069 0.000 1.873 667 A HA -0.078 4.241 4.320 -0.002 0.000 0.215 667 A C 2.380 179.790 177.584 -0.289 0.000 1.186 667 A CA 2.143 54.050 52.037 -0.216 0.000 0.616 667 A CB -0.946 18.020 19.000 -0.057 0.000 0.823 667 A HN 0.503 nan 8.150 nan 0.000 0.442 668 V N 0.283 120.133 119.914 -0.106 0.000 2.343 668 V HA -0.282 3.837 4.120 -0.002 0.000 0.247 668 V C 2.438 178.500 176.094 -0.053 0.000 1.051 668 V CA 2.125 64.392 62.300 -0.054 0.000 1.036 668 V CB -0.691 31.139 31.823 0.012 0.000 0.654 668 V HN 0.562 nan 8.190 nan 0.000 0.451 669 I N -0.896 119.609 120.570 -0.109 0.000 2.202 669 I HA -0.291 3.878 4.170 -0.002 0.000 0.242 669 I C 2.507 178.617 176.117 -0.011 0.000 1.091 669 I CA 1.813 63.015 61.300 -0.163 0.000 1.368 669 I CB -0.287 37.495 38.000 -0.363 0.000 1.058 669 I HN 0.260 nan 8.210 nan 0.000 0.410 670 M N -0.614 118.961 119.600 -0.041 0.000 2.159 670 M HA -0.233 4.245 4.480 -0.002 0.000 0.263 670 M C 2.487 178.748 176.300 -0.065 0.000 1.063 670 M CA 1.563 56.847 55.300 -0.026 0.000 1.110 670 M CB -0.797 31.697 32.600 -0.178 0.000 1.374 670 M HN 0.370 nan 8.290 nan 0.000 0.411 671 H N -0.063 118.813 119.070 -0.323 0.000 2.357 671 H HA -0.184 4.371 4.556 -0.002 0.000 0.301 671 H C 1.472 176.788 175.328 -0.020 0.000 1.082 671 H CA 2.088 57.998 56.048 -0.230 0.000 1.342 671 H CB -0.051 29.511 29.762 -0.334 0.000 1.389 671 H HN 0.320 nan 8.280 nan 0.000 0.511 672 D N -0.221 120.114 120.400 -0.108 0.000 2.117 672 D HA -0.074 4.565 4.640 -0.002 0.000 0.197 672 D C 2.437 178.674 176.300 -0.106 0.000 0.987 672 D CA 1.457 55.406 54.000 -0.084 0.000 0.829 672 D CB -0.679 40.167 40.800 0.077 0.000 0.961 672 D HN 0.525 nan 8.370 nan 0.000 0.460 673 G N 0.582 109.242 108.800 -0.232 0.000 2.421 673 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.216 673 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.216 673 G C 1.807 176.590 174.900 -0.195 0.000 1.171 673 G CA 0.582 45.252 45.100 -0.717 0.000 0.775 673 G HN 0.335 nan 8.290 nan 0.000 0.543 674 L N -0.020 121.286 121.223 0.140 0.000 1.990 674 L HA -0.154 4.185 4.340 -0.002 0.000 0.213 674 L C 2.857 179.793 176.870 0.111 0.000 1.072 674 L CA 2.019 57.004 54.840 0.241 0.000 0.755 674 L CB -0.423 41.778 42.059 0.236 0.000 0.889 674 L HN 0.382 nan 8.230 nan 0.000 0.432 675 E N -0.122 120.049 120.200 -0.048 0.000 2.038 675 E HA -0.261 4.087 4.350 -0.002 0.000 0.195 675 E C 2.292 178.881 176.600 -0.019 0.000 1.000 675 E CA 1.485 57.850 56.400 -0.059 0.000 0.803 675 E CB 0.052 29.638 29.700 -0.189 0.000 0.750 675 E HN 0.286 nan 8.360 nan 0.000 0.448 676 R N -0.400 120.080 120.500 -0.034 0.000 2.080 676 R HA -0.153 4.186 4.340 -0.002 0.000 0.236 676 R C 2.552 178.810 176.300 -0.069 0.000 1.137 676 R CA 2.189 58.276 56.100 -0.023 0.000 0.943 676 R CB -0.302 30.020 30.300 0.036 0.000 0.846 676 R HN 0.315 nan 8.270 nan 0.000 0.431 677 M N -1.417 118.120 119.600 -0.104 0.000 2.156 677 M HA -0.106 4.372 4.480 -0.002 0.000 0.264 677 M C 0.962 176.977 176.300 -0.475 0.000 1.067 677 M CA 1.614 56.739 55.300 -0.291 0.000 1.131 677 M CB 0.119 32.545 32.600 -0.290 0.000 1.368 677 M HN 0.140 nan 8.290 nan 0.000 0.416 678 Y N -0.325 120.003 120.300 0.046 0.000 2.531 678 Y HA 0.380 4.929 4.550 -0.001 0.000 0.249 678 Y C 1.300 177.340 175.900 0.232 0.000 1.168 678 Y CA -0.689 57.520 58.100 0.181 0.000 1.226 678 Y CB -0.003 38.500 38.460 0.072 0.000 1.177 678 Y HN 0.056 nan 8.280 nan 0.000 0.527 679 G N -0.224 108.681 108.800 0.175 0.000 2.531 679 G HA2 0.103 4.062 3.960 -0.002 0.000 0.281 679 G HA3 0.103 4.062 3.960 -0.002 0.000 0.281 679 G C 0.531 175.459 174.900 0.046 0.000 1.382 679 G CA -0.327 44.845 45.100 0.120 0.000 1.045 679 G HN 0.236 nan 8.290 nan 0.000 0.533 680 E N -0.866 119.342 120.200 0.013 0.000 2.204 680 E HA -0.119 4.230 4.350 -0.002 0.000 0.195 680 E C 2.227 178.774 176.600 -0.088 0.000 0.990 680 E CA 0.948 57.322 56.400 -0.045 0.000 0.821 680 E CB 0.081 29.769 29.700 -0.020 0.000 0.750 680 E HN 0.478 nan 8.360 nan 0.000 0.477 681 K N 0.659 121.019 120.400 -0.067 0.000 2.097 681 K HA -0.162 4.156 4.320 -0.002 0.000 0.205 681 K C 0.141 176.666 176.600 -0.125 0.000 1.050 681 K CA 0.889 57.129 56.287 -0.078 0.000 0.938 681 K CB 0.138 32.608 32.500 -0.051 0.000 0.718 681 K HN 0.063 nan 8.250 nan 0.000 0.442 682 Q N 1.336 121.039 119.800 -0.162 0.000 2.443 682 Q HA -0.193 4.146 4.340 -0.002 0.000 0.337 682 Q C -0.936 174.940 176.000 -0.207 0.000 1.401 682 Q CA 0.606 56.259 55.803 -0.250 0.000 0.943 682 Q CB -1.309 27.219 28.738 -0.349 0.000 1.177 682 Q HN 0.419 nan 8.270 nan 0.000 0.394 683 E N 1.097 121.200 120.200 -0.161 0.000 2.290 683 E HA 0.057 4.405 4.350 -0.002 0.000 0.277 683 E C -0.159 176.368 176.600 -0.121 0.000 1.035 683 E CA -0.389 55.947 56.400 -0.106 0.000 0.873 683 E CB 0.599 30.267 29.700 -0.054 0.000 1.029 683 E HN 0.179 nan 8.360 nan 0.000 0.419 684 N N 4.345 123.000 118.700 -0.077 0.000 2.739 684 N HA 0.128 4.867 4.740 -0.002 0.000 0.266 684 N C -1.249 174.261 175.510 -0.000 0.000 1.168 684 N CA 0.139 53.168 53.050 -0.036 0.000 1.055 684 N CB 0.822 39.315 38.487 0.010 0.000 1.393 684 N HN 0.159 nan 8.380 nan 0.000 0.514 685 V N 2.165 122.089 119.914 0.017 0.000 3.120 685 V HA 0.440 4.558 4.120 -0.002 0.000 0.303 685 V C -1.353 174.845 176.094 0.175 0.000 1.238 685 V CA -0.910 61.417 62.300 0.045 0.000 1.008 685 V CB 2.257 34.092 31.823 0.020 0.000 1.064 685 V HN 0.479 nan 8.190 nan 0.000 0.434 686 Y N 1.786 122.172 120.300 0.143 0.000 2.602 686 Y HA 0.871 5.420 4.550 -0.002 0.000 0.342 686 Y C -1.647 174.435 175.900 0.304 0.000 1.029 686 Y CA -1.471 56.766 58.100 0.227 0.000 1.080 686 Y CB 1.282 39.965 38.460 0.372 0.000 1.284 686 Y HN 0.471 nan 8.280 nan 0.000 0.485 687 Y N 1.420 121.853 120.300 0.221 0.000 2.420 687 Y HA 0.470 5.019 4.550 -0.002 0.000 0.334 687 Y C -1.121 175.057 175.900 0.464 0.000 1.094 687 Y CA -1.385 56.841 58.100 0.211 0.000 1.126 687 Y CB 1.650 40.110 38.460 0.000 0.000 1.217 687 Y HN 0.691 nan 8.280 nan 0.000 0.462 688 Y N 4.137 124.644 120.300 0.345 0.000 2.326 688 Y HA 0.655 5.204 4.550 -0.002 0.000 0.329 688 Y C -1.534 174.532 175.900 0.277 0.000 0.973 688 Y CA -1.863 56.416 58.100 0.299 0.000 1.162 688 Y CB 0.636 39.246 38.460 0.250 0.000 1.147 688 Y HN 0.473 nan 8.280 nan 0.000 0.456 689 I N 6.227 126.686 120.570 -0.185 0.000 2.447 689 I HA 0.310 4.479 4.170 -0.002 0.000 0.287 689 I C -0.461 175.360 176.117 -0.493 0.000 1.023 689 I CA -0.920 60.267 61.300 -0.187 0.000 1.083 689 I CB 2.235 40.286 38.000 0.086 0.000 1.245 689 I HN 0.609 nan 8.210 nan 0.000 0.434 690 T N 1.544 115.836 114.554 -0.438 0.000 2.817 690 T HA 0.523 4.871 4.350 -0.002 0.000 0.293 690 T C 0.185 174.807 174.700 -0.129 0.000 0.964 690 T CA -0.640 61.273 62.100 -0.311 0.000 1.085 690 T CB 1.214 70.039 68.868 -0.072 0.000 0.921 690 T HN 0.705 nan 8.240 nan 0.000 0.502 691 T N 0.900 115.367 114.554 -0.145 0.000 2.930 691 T HA 0.757 5.106 4.350 -0.002 0.000 0.290 691 T C -0.434 174.247 174.700 -0.030 0.000 1.052 691 T CA -1.121 60.932 62.100 -0.078 0.000 1.017 691 T CB 0.969 69.767 68.868 -0.117 0.000 1.137 691 T HN 0.551 nan 8.240 nan 0.000 0.511 692 L N 1.901 123.123 121.223 -0.002 0.000 2.322 692 L HA 0.547 4.886 4.340 -0.002 0.000 0.269 692 L C 0.869 177.738 176.870 -0.002 0.000 1.012 692 L CA -1.196 53.651 54.840 0.012 0.000 0.815 692 L CB 1.468 43.554 42.059 0.045 0.000 1.295 692 L HN 0.877 nan 8.230 nan 0.000 0.438 693 N N -0.227 118.475 118.700 0.003 0.000 2.251 693 N HA 0.018 4.757 4.740 -0.002 0.000 0.217 693 N C -0.224 175.277 175.510 -0.015 0.000 1.124 693 N CA -0.161 52.880 53.050 -0.015 0.000 0.843 693 N CB 0.472 38.941 38.487 -0.029 0.000 1.024 693 N HN 0.703 nan 8.380 nan 0.000 0.501 694 E N 0.658 120.852 120.200 -0.010 0.000 2.171 694 E HA 0.253 4.602 4.350 -0.002 0.000 0.271 694 E C -1.022 175.501 176.600 -0.130 0.000 0.916 694 E CA -0.658 55.751 56.400 0.015 0.000 0.774 694 E CB 0.799 30.587 29.700 0.146 0.000 1.128 694 E HN 0.080 nan 8.360 nan 0.000 0.403 695 N N 2.798 121.452 118.700 -0.077 0.000 2.509 695 N HA 0.335 5.074 4.740 -0.002 0.000 0.287 695 N C -1.108 174.395 175.510 -0.012 0.000 1.121 695 N CA 0.035 52.993 53.050 -0.153 0.000 0.977 695 N CB 0.894 39.354 38.487 -0.045 0.000 1.167 695 N HN 0.429 nan 8.380 nan 0.000 0.476 696 Y N -2.887 117.463 120.300 0.083 0.000 2.779 696 Y HA 0.276 4.825 4.550 -0.001 0.000 0.340 696 Y C -0.405 175.574 175.900 0.132 0.000 1.252 696 Y CA -1.169 56.995 58.100 0.107 0.000 1.072 696 Y CB 0.452 38.978 38.460 0.110 0.000 1.343 696 Y HN 0.457 nan 8.280 nan 0.000 0.450 697 H N 3.240 122.513 119.070 0.339 0.000 2.964 697 H HA 0.239 4.794 4.556 -0.002 0.000 0.328 697 H C -0.899 174.584 175.328 0.259 0.000 1.030 697 H CA 0.320 56.494 56.048 0.210 0.000 1.445 697 H CB 0.695 30.529 29.762 0.120 0.000 1.449 697 H HN 0.537 nan 8.280 nan 0.000 0.581 698 M N 8.637 127.997 119.600 -0.400 0.000 2.036 698 M HA 0.242 4.721 4.480 -0.002 0.000 0.337 698 M C -2.397 173.552 176.300 -0.584 0.000 1.012 698 M CA -2.340 52.775 55.300 -0.309 0.000 0.962 698 M CB 1.083 33.634 32.600 -0.082 0.000 1.423 698 M HN 0.504 nan 8.290 nan 0.000 0.405 699 P HA 0.316 nan 4.420 nan 0.000 0.277 699 P C -0.587 176.683 177.300 -0.050 0.000 1.276 699 P CA -0.432 62.493 63.100 -0.292 0.000 0.788 699 P CB 0.735 32.312 31.700 -0.205 0.000 1.114 700 A N 0.903 123.693 122.820 -0.049 0.000 2.322 700 A HA 0.413 4.731 4.320 -0.002 0.000 0.269 700 A C 0.571 177.933 177.584 -0.371 0.000 1.094 700 A CA -0.726 51.251 52.037 -0.100 0.000 0.807 700 A CB -0.228 18.720 19.000 -0.087 0.000 1.047 700 A HN 0.684 nan 8.150 nan 0.000 0.487 701 M N 2.801 121.982 119.600 -0.698 0.000 2.246 701 M HA 0.232 4.711 4.480 -0.002 0.000 0.350 701 M C -2.171 173.763 176.300 -0.609 0.000 1.406 701 M CA -1.329 53.174 55.300 -1.329 0.000 1.089 701 M CB 0.202 32.212 32.600 -0.984 0.000 1.782 701 M HN 0.330 nan 8.290 nan 0.000 0.457 702 P HA 0.001 nan 4.420 nan 0.000 0.266 702 P C -1.226 175.950 177.300 -0.208 0.000 1.195 702 P CA -0.000 62.968 63.100 -0.218 0.000 0.768 702 P CB 0.372 32.021 31.700 -0.084 0.000 0.838 703 E N 1.731 121.853 120.200 -0.130 0.000 2.415 703 E HA 0.240 4.589 4.350 -0.002 0.000 0.263 703 E C 1.041 177.591 176.600 -0.083 0.000 0.995 703 E CA 0.637 56.977 56.400 -0.102 0.000 0.915 703 E CB -0.594 29.067 29.700 -0.066 0.000 0.951 703 E HN 0.743 nan 8.360 nan 0.000 0.449 704 G N 2.874 111.625 108.800 -0.081 0.000 2.162 704 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.260 704 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.260 704 G C 0.795 175.652 174.900 -0.072 0.000 0.976 704 G CA 0.474 45.542 45.100 -0.054 0.000 0.655 704 G HN 0.812 nan 8.290 nan 0.000 0.533 705 A N -0.221 122.505 122.820 -0.156 0.000 2.167 705 A HA 0.391 4.710 4.320 -0.002 0.000 0.214 705 A C 1.870 179.316 177.584 -0.229 0.000 1.151 705 A CA 1.802 53.672 52.037 -0.279 0.000 0.735 705 A CB -0.214 18.455 19.000 -0.553 0.000 0.802 705 A HN 0.576 nan 8.150 nan 0.000 0.467 706 E N 0.281 120.405 120.200 -0.126 0.000 2.035 706 E HA -0.274 4.075 4.350 -0.002 0.000 0.204 706 E C 1.917 178.510 176.600 -0.013 0.000 1.025 706 E CA 1.757 58.123 56.400 -0.057 0.000 0.835 706 E CB -0.275 29.409 29.700 -0.026 0.000 0.764 706 E HN 0.575 nan 8.360 nan 0.000 0.457 707 E N 0.076 120.282 120.200 0.009 0.000 2.085 707 E HA -0.131 4.218 4.350 -0.002 0.000 0.194 707 E C 2.112 178.735 176.600 0.039 0.000 0.994 707 E CA 1.584 57.999 56.400 0.024 0.000 0.801 707 E CB -0.820 28.905 29.700 0.043 0.000 0.743 707 E HN 0.304 nan 8.360 nan 0.000 0.453 708 G N 0.375 109.244 108.800 0.114 0.000 2.418 708 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.217 708 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.217 708 G C 1.762 176.812 174.900 0.250 0.000 1.158 708 G CA 0.929 46.186 45.100 0.262 0.000 0.771 708 G HN 0.331 nan 8.290 nan 0.000 0.545 709 I N 0.208 120.858 120.570 0.134 0.000 2.208 709 I HA -0.173 3.996 4.170 -0.002 0.000 0.245 709 I C 3.056 179.283 176.117 0.183 0.000 1.097 709 I CA 1.108 62.521 61.300 0.188 0.000 1.363 709 I CB -0.103 37.933 38.000 0.060 0.000 1.051 709 I HN 0.081 nan 8.210 nan 0.000 0.413 710 R N 0.335 120.904 120.500 0.114 0.000 2.075 710 R HA -0.149 4.190 4.340 -0.002 0.000 0.232 710 R C 2.251 178.660 176.300 0.182 0.000 1.126 710 R CA 1.083 57.274 56.100 0.152 0.000 0.963 710 R CB -0.244 30.109 30.300 0.089 0.000 0.858 710 R HN 0.068 nan 8.270 nan 0.000 0.435 711 K N -0.995 119.406 120.400 0.001 0.000 2.209 711 K HA -0.045 4.274 4.320 -0.002 0.000 0.204 711 K C 1.143 177.700 176.600 -0.073 0.000 1.048 711 K CA 1.481 57.649 56.287 -0.198 0.000 0.940 711 K CB 0.125 32.198 32.500 -0.711 0.000 0.729 711 K HN 0.438 nan 8.250 nan 0.000 0.451 712 G N -0.641 108.213 108.800 0.091 0.000 2.296 712 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.188 712 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.188 712 G C 0.029 174.957 174.900 0.046 0.000 1.000 712 G CA -0.116 45.020 45.100 0.060 0.000 0.672 712 G HN 0.239 nan 8.290 nan 0.000 0.483 713 I N -0.018 120.662 120.570 0.184 0.000 2.882 713 I HA 0.642 4.811 4.170 -0.002 0.000 0.298 713 I C -1.710 174.642 176.117 0.392 0.000 1.462 713 I CA -1.490 59.907 61.300 0.160 0.000 1.000 713 I CB 2.031 40.036 38.000 0.009 0.000 1.340 713 I HN 0.549 nan 8.210 nan 0.000 0.462 714 Y N 3.691 124.123 120.300 0.221 0.000 2.565 714 Y HA 0.420 4.968 4.550 -0.002 0.000 0.330 714 Y C -1.611 174.448 175.900 0.264 0.000 1.150 714 Y CA -1.242 57.000 58.100 0.236 0.000 1.055 714 Y CB 0.733 39.310 38.460 0.195 0.000 1.337 714 Y HN 0.515 nan 8.280 nan 0.000 0.457 715 K N 3.472 124.022 120.400 0.250 0.000 2.349 715 K HA 0.301 4.620 4.320 -0.002 0.000 0.288 715 K C -0.078 176.516 176.600 -0.009 0.000 1.058 715 K CA -0.297 55.932 56.287 -0.096 0.000 0.953 715 K CB 0.753 33.140 32.500 -0.188 0.000 0.997 715 K HN 1.025 nan 8.250 nan 0.000 0.477 716 L N 3.181 124.324 121.223 -0.133 0.000 2.068 716 L HA -0.071 4.268 4.340 -0.002 0.000 0.204 716 L C 0.199 177.080 176.870 0.018 0.000 1.076 716 L CA 1.299 56.166 54.840 0.044 0.000 0.753 716 L CB 0.099 42.181 42.059 0.039 0.000 0.910 716 L HN 0.814 nan 8.230 nan 0.000 0.439 717 E N -2.920 117.232 120.200 -0.081 0.000 2.409 717 E HA 0.295 4.644 4.350 -0.002 0.000 0.280 717 E C -1.226 175.308 176.600 -0.111 0.000 1.079 717 E CA -0.800 55.563 56.400 -0.061 0.000 0.840 717 E CB 1.176 30.866 29.700 -0.017 0.000 1.309 717 E HN -0.321 nan 8.360 nan 0.000 0.447 718 T N 1.289 115.802 114.554 -0.070 0.000 2.824 718 T HA 0.557 4.905 4.350 -0.002 0.000 0.282 718 T C -0.527 174.157 174.700 -0.028 0.000 0.993 718 T CA -0.509 61.553 62.100 -0.063 0.000 0.967 718 T CB 0.447 69.286 68.868 -0.048 0.000 0.960 718 T HN 0.331 nan 8.240 nan 0.000 0.441 719 I N 2.894 123.454 120.570 -0.017 0.000 2.441 719 I HA 0.346 4.515 4.170 -0.002 0.000 0.295 719 I C 0.296 176.419 176.117 0.011 0.000 0.994 719 I CA -1.069 60.232 61.300 0.002 0.000 1.144 719 I CB 1.574 39.580 38.000 0.011 0.000 1.314 719 I HN 0.403 nan 8.210 nan 0.000 0.445 720 E N 3.912 124.120 120.200 0.013 0.000 2.373 720 E HA 0.579 4.927 4.350 -0.002 0.000 0.263 720 E C 0.031 176.647 176.600 0.026 0.000 1.073 720 E CA -0.201 56.210 56.400 0.017 0.000 0.894 720 E CB 1.499 31.208 29.700 0.014 0.000 1.008 720 E HN 0.846 nan 8.360 nan 0.000 0.420 721 G N -0.206 108.611 108.800 0.029 0.000 2.617 721 G HA2 0.199 4.158 3.960 -0.002 0.000 0.305 721 G HA3 0.199 4.158 3.960 -0.002 0.000 0.305 721 G C 0.199 175.120 174.900 0.035 0.000 1.436 721 G CA -0.233 44.890 45.100 0.038 0.000 1.036 721 G HN 0.342 nan 8.290 nan 0.000 0.589 722 S N 1.106 116.826 115.700 0.034 0.000 2.501 722 S HA 0.052 4.521 4.470 -0.002 0.000 0.220 722 S C 1.665 176.286 174.600 0.035 0.000 0.997 722 S CA 0.298 58.516 58.200 0.030 0.000 0.919 722 S CB 0.227 63.441 63.200 0.024 0.000 0.778 722 S HN 0.383 nan 8.310 nan 0.000 0.523 723 K N 1.627 122.055 120.400 0.047 0.000 2.305 723 K HA 0.378 4.696 4.320 -0.002 0.000 0.199 723 K C 1.148 177.777 176.600 0.049 0.000 1.047 723 K CA 0.702 57.021 56.287 0.053 0.000 0.976 723 K CB -0.303 32.244 32.500 0.078 0.000 0.765 723 K HN 0.516 nan 8.250 nan 0.000 0.474 724 G N -0.178 108.651 108.800 0.047 0.000 2.322 724 G HA2 0.288 4.247 3.960 -0.002 0.000 0.295 724 G HA3 0.288 4.247 3.960 -0.002 0.000 0.295 724 G C -1.768 173.157 174.900 0.040 0.000 1.369 724 G CA -0.696 44.428 45.100 0.040 0.000 0.821 724 G HN -0.129 nan 8.290 nan 0.000 0.536 725 K N -0.226 120.196 120.400 0.038 0.000 2.501 725 K HA 0.718 5.037 4.320 -0.002 0.000 0.252 725 K C -0.698 175.930 176.600 0.047 0.000 0.934 725 K CA -0.506 55.806 56.287 0.041 0.000 0.797 725 K CB 1.995 34.518 32.500 0.039 0.000 1.270 725 K HN 1.408 nan 8.250 nan 0.000 0.431 726 V N -0.387 119.560 119.914 0.055 0.000 3.181 726 V HA 0.614 4.733 4.120 -0.002 0.000 0.308 726 V C -1.205 174.949 176.094 0.099 0.000 1.214 726 V CA -0.946 61.395 62.300 0.069 0.000 1.053 726 V CB 2.184 34.040 31.823 0.054 0.000 1.069 726 V HN 0.736 nan 8.190 nan 0.000 0.441 727 Q N 1.343 121.228 119.800 0.141 0.000 2.337 727 Q HA 0.781 5.119 4.340 -0.002 0.000 0.266 727 Q C -1.547 174.586 176.000 0.223 0.000 1.023 727 Q CA -0.610 55.337 55.803 0.239 0.000 0.829 727 Q CB 2.559 31.489 28.738 0.320 0.000 1.306 727 Q HN 0.740 nan 8.270 nan 0.000 0.449 728 L N 3.386 124.754 121.223 0.242 0.000 2.381 728 L HA 0.528 4.867 4.340 -0.002 0.000 0.274 728 L C -1.270 175.752 176.870 0.252 0.000 0.988 728 L CA -0.785 54.170 54.840 0.192 0.000 0.824 728 L CB 1.142 43.267 42.059 0.110 0.000 1.263 728 L HN 0.329 nan 8.230 nan 0.000 0.410 729 L N 2.469 123.833 121.223 0.235 0.000 2.334 729 L HA 0.969 5.308 4.340 -0.002 0.000 0.276 729 L C 0.393 177.387 176.870 0.206 0.000 1.014 729 L CA -0.117 54.862 54.840 0.233 0.000 0.815 729 L CB 1.974 44.205 42.059 0.288 0.000 1.268 729 L HN 0.640 nan 8.230 nan 0.000 0.428 730 G N 0.024 108.910 108.800 0.144 0.000 2.692 730 G HA2 0.706 4.665 3.960 -0.002 0.000 0.291 730 G HA3 0.706 4.665 3.960 -0.002 0.000 0.291 730 G C -1.609 173.342 174.900 0.085 0.000 1.423 730 G CA -0.160 45.027 45.100 0.146 0.000 0.843 730 G HN 0.713 nan 8.290 nan 0.000 0.486 731 S N -0.873 114.915 115.700 0.146 0.000 2.638 731 S HA 0.881 5.350 4.470 -0.002 0.000 0.274 731 S C 0.775 175.447 174.600 0.121 0.000 1.157 731 S CA 0.713 58.975 58.200 0.103 0.000 0.826 731 S CB 1.326 64.649 63.200 0.204 0.000 1.139 731 S HN 2.758 nan 8.310 nan 0.000 0.474 732 G N 2.045 110.896 108.800 0.085 0.000 2.594 732 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.297 732 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.297 732 G C 1.043 175.997 174.900 0.090 0.000 1.273 732 G CA 1.408 46.577 45.100 0.114 0.000 0.974 732 G HN 2.266 nan 8.290 nan 0.000 0.552 733 S N -0.522 115.268 115.700 0.150 0.000 2.555 733 S HA 0.120 4.588 4.470 -0.002 0.000 0.230 733 S C 2.040 176.735 174.600 0.159 0.000 0.978 733 S CA 1.492 59.805 58.200 0.188 0.000 0.934 733 S CB 0.059 63.393 63.200 0.223 0.000 0.766 733 S HN 0.566 nan 8.310 nan 0.000 0.533 734 I N 0.909 121.555 120.570 0.126 0.000 3.228 734 I HA 0.173 4.342 4.170 -0.002 0.000 0.279 734 I C 2.027 178.240 176.117 0.160 0.000 1.221 734 I CA 0.223 61.620 61.300 0.162 0.000 1.458 734 I CB -0.967 37.077 38.000 0.073 0.000 1.105 734 I HN 0.351 nan 8.210 nan 0.000 0.445 735 L N 1.635 122.887 121.223 0.047 0.000 2.043 735 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 735 L C 2.634 179.490 176.870 -0.023 0.000 1.075 735 L CA 1.902 56.735 54.840 -0.012 0.000 0.752 735 L CB -0.768 41.203 42.059 -0.147 0.000 0.891 735 L HN 0.108 nan 8.230 nan 0.000 0.432 736 R N -1.696 118.735 120.500 -0.116 0.000 2.139 736 R HA -0.221 4.118 4.340 -0.002 0.000 0.243 736 R C 2.135 178.286 176.300 -0.248 0.000 1.145 736 R CA 1.989 57.948 56.100 -0.234 0.000 0.976 736 R CB -0.277 29.708 30.300 -0.525 0.000 0.866 736 R HN 0.598 nan 8.270 nan 0.000 0.449 737 H N -1.465 117.577 119.070 -0.046 0.000 2.448 737 H HA -0.041 4.514 4.556 -0.002 0.000 0.292 737 H C 1.878 177.207 175.328 0.002 0.000 1.035 737 H CA 1.218 57.260 56.048 -0.011 0.000 1.349 737 H CB 0.129 29.894 29.762 0.005 0.000 1.425 737 H HN 0.161 nan 8.280 nan 0.000 0.539 738 V N -0.164 119.819 119.914 0.115 0.000 2.871 738 V HA -0.056 4.063 4.120 -0.002 0.000 0.256 738 V C 1.957 178.082 176.094 0.051 0.000 1.082 738 V CA 1.200 63.547 62.300 0.079 0.000 1.105 738 V CB -0.094 31.780 31.823 0.084 0.000 0.713 738 V HN 0.223 nan 8.190 nan 0.000 0.473 739 R N 0.075 120.596 120.500 0.035 0.000 2.148 739 R HA -0.044 4.294 4.340 -0.002 0.000 0.223 739 R C 2.381 178.691 176.300 0.017 0.000 1.088 739 R CA 1.479 57.597 56.100 0.030 0.000 0.985 739 R CB -0.161 30.162 30.300 0.038 0.000 0.880 739 R HN 0.729 nan 8.270 nan 0.000 0.451 740 E N 0.444 120.643 120.200 -0.000 0.000 2.158 740 E HA -0.085 4.263 4.350 -0.002 0.000 0.191 740 E C 1.705 178.316 176.600 0.018 0.000 0.982 740 E CA 0.711 57.111 56.400 -0.001 0.000 0.823 740 E CB 0.120 29.805 29.700 -0.026 0.000 0.766 740 E HN 0.290 nan 8.360 nan 0.000 0.468 741 A N 1.093 123.924 122.820 0.019 0.000 1.969 741 A HA -0.021 4.298 4.320 -0.002 0.000 0.218 741 A C 2.293 179.900 177.584 0.038 0.000 1.169 741 A CA 1.436 53.479 52.037 0.011 0.000 0.635 741 A CB -0.427 18.574 19.000 0.003 0.000 0.810 741 A HN 0.356 nan 8.150 nan 0.000 0.445 742 A N -0.673 122.171 122.820 0.040 0.000 2.014 742 A HA -0.038 4.280 4.320 -0.002 0.000 0.218 742 A C 1.966 179.583 177.584 0.055 0.000 1.163 742 A CA 1.869 53.934 52.037 0.046 0.000 0.652 742 A CB -0.266 18.755 19.000 0.035 0.000 0.808 742 A HN 0.422 nan 8.150 nan 0.000 0.449 743 E N 0.276 120.507 120.200 0.052 0.000 2.112 743 E HA 0.004 4.353 4.350 -0.002 0.000 0.190 743 E C 1.715 178.364 176.600 0.082 0.000 0.979 743 E CA 0.752 57.184 56.400 0.054 0.000 0.814 743 E CB -0.345 29.378 29.700 0.039 0.000 0.762 743 E HN 0.615 nan 8.360 nan 0.000 0.460 744 I N 0.138 120.769 120.570 0.102 0.000 2.179 744 I HA -0.272 3.897 4.170 -0.002 0.000 0.242 744 I C 2.297 178.567 176.117 0.255 0.000 1.088 744 I CA 0.805 62.206 61.300 0.168 0.000 1.357 744 I CB -0.198 37.912 38.000 0.184 0.000 1.051 744 I HN 0.124 nan 8.210 nan 0.000 0.409 745 L N 0.347 121.706 121.223 0.227 0.000 2.042 745 L HA -0.242 4.097 4.340 -0.002 0.000 0.210 745 L C 2.784 179.797 176.870 0.239 0.000 1.076 745 L CA 1.551 56.554 54.840 0.271 0.000 0.749 745 L CB -0.617 41.514 42.059 0.120 0.000 0.893 745 L HN 0.260 nan 8.230 nan 0.000 0.432 746 A N -0.431 122.473 122.820 0.141 0.000 1.873 746 A HA -0.228 4.091 4.320 -0.002 0.000 0.215 746 A C 2.340 179.974 177.584 0.082 0.000 1.186 746 A CA 1.820 53.916 52.037 0.098 0.000 0.616 746 A CB -0.348 18.690 19.000 0.064 0.000 0.823 746 A HN 0.262 nan 8.150 nan 0.000 0.442 747 K N -0.600 119.844 120.400 0.074 0.000 2.001 747 K HA -0.126 4.193 4.320 -0.002 0.000 0.208 747 K C 1.080 177.670 176.600 -0.018 0.000 1.048 747 K CA 1.667 57.974 56.287 0.032 0.000 0.932 747 K CB -0.059 32.461 32.500 0.033 0.000 0.715 747 K HN 0.363 nan 8.250 nan 0.000 0.437 748 D N -1.337 119.038 120.400 -0.040 0.000 2.333 748 D HA -0.044 4.594 4.640 -0.002 0.000 0.208 748 D C 0.467 176.408 176.300 -0.598 0.000 0.984 748 D CA 0.926 54.731 54.000 -0.326 0.000 0.873 748 D CB 0.321 40.855 40.800 -0.443 0.000 0.935 748 D HN 0.317 nan 8.370 nan 0.000 0.521 749 Y N -1.127 119.198 120.300 0.043 0.000 2.563 749 Y HA 0.324 4.873 4.550 -0.002 0.000 0.250 749 Y C 1.720 177.638 175.900 0.029 0.000 1.126 749 Y CA -0.166 57.955 58.100 0.036 0.000 1.231 749 Y CB 0.867 39.355 38.460 0.048 0.000 1.288 749 Y HN -0.045 nan 8.280 nan 0.000 0.537 750 G N 0.991 109.865 108.800 0.124 0.000 2.180 750 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.263 750 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.263 750 G C -0.012 174.946 174.900 0.096 0.000 0.989 750 G CA 0.551 45.702 45.100 0.085 0.000 0.692 750 G HN 0.163 nan 8.290 nan 0.000 0.526 751 V N 1.032 121.025 119.914 0.131 0.000 2.432 751 V HA 0.613 4.732 4.120 -0.002 0.000 0.271 751 V C 1.345 177.484 176.094 0.075 0.000 1.046 751 V CA 0.166 62.524 62.300 0.096 0.000 0.945 751 V CB 1.115 32.994 31.823 0.094 0.000 0.992 751 V HN 0.581 nan 8.190 nan 0.000 0.471 752 G N 3.782 112.615 108.800 0.054 0.000 2.580 752 G HA2 0.655 4.614 3.960 -0.002 0.000 0.278 752 G HA3 0.655 4.614 3.960 -0.002 0.000 0.278 752 G C -0.208 174.716 174.900 0.039 0.000 1.212 752 G CA 0.262 45.388 45.100 0.042 0.000 0.939 752 G HN 1.070 nan 8.290 nan 0.000 0.513 753 S N -0.989 114.727 115.700 0.027 0.000 2.587 753 S HA 0.465 4.933 4.470 -0.002 0.000 0.269 753 S C -2.171 172.421 174.600 -0.014 0.000 1.154 753 S CA -0.955 57.260 58.200 0.024 0.000 0.824 753 S CB 2.318 65.538 63.200 0.034 0.000 1.118 753 S HN 0.380 nan 8.310 nan 0.000 0.462 754 D N 1.266 121.651 120.400 -0.024 0.000 2.344 754 D HA 0.564 5.203 4.640 -0.002 0.000 0.239 754 D C -0.724 175.417 176.300 -0.266 0.000 1.064 754 D CA -0.161 53.730 54.000 -0.183 0.000 0.829 754 D CB 1.897 42.617 40.800 -0.134 0.000 1.129 754 D HN 0.471 nan 8.370 nan 0.000 0.506 755 V N 3.612 123.320 119.914 -0.343 0.000 2.394 755 V HA 0.364 4.483 4.120 -0.002 0.000 0.282 755 V C -0.696 175.154 176.094 -0.406 0.000 1.031 755 V CA -0.632 61.537 62.300 -0.218 0.000 0.881 755 V CB 0.596 32.371 31.823 -0.080 0.000 0.982 755 V HN 0.359 nan 8.190 nan 0.000 0.451 756 Y N 1.776 122.038 120.300 -0.062 0.000 2.409 756 Y HA 0.538 5.087 4.550 -0.002 0.000 0.343 756 Y C 0.477 176.234 175.900 -0.238 0.000 0.973 756 Y CA -0.592 57.409 58.100 -0.164 0.000 1.064 756 Y CB 2.175 40.559 38.460 -0.127 0.000 1.207 756 Y HN 0.543 nan 8.280 nan 0.000 0.452 757 S N 2.291 117.796 115.700 -0.324 0.000 2.438 757 S HA 0.531 4.999 4.470 -0.002 0.000 0.293 757 S C -1.014 173.404 174.600 -0.303 0.000 1.141 757 S CA -0.598 57.403 58.200 -0.331 0.000 1.080 757 S CB 0.086 63.031 63.200 -0.425 0.000 0.978 757 S HN 0.449 nan 8.310 nan 0.000 0.479 758 V N 6.441 126.190 119.914 -0.275 0.000 2.288 758 V HA 0.205 4.324 4.120 -0.002 0.000 0.266 758 V C 1.514 177.441 176.094 -0.278 0.000 1.048 758 V CA -0.241 61.794 62.300 -0.442 0.000 0.842 758 V CB 0.163 31.323 31.823 -1.106 0.000 1.064 758 V HN 1.063 nan 8.190 nan 0.000 0.472 759 T N -0.361 114.156 114.554 -0.062 0.000 3.035 759 T HA 0.002 4.351 4.350 -0.002 0.000 0.268 759 T C 0.847 175.626 174.700 0.131 0.000 1.109 759 T CA 0.813 62.984 62.100 0.118 0.000 1.119 759 T CB 0.187 69.228 68.868 0.289 0.000 0.900 759 T HN 0.567 nan 8.240 nan 0.000 0.503 760 S N -0.447 115.195 115.700 -0.095 0.000 2.357 760 S HA 0.405 4.873 4.470 -0.002 0.000 0.209 760 S C -0.227 174.199 174.600 -0.291 0.000 0.981 760 S CA -0.794 57.286 58.200 -0.200 0.000 1.106 760 S CB -0.538 62.414 63.200 -0.413 0.000 1.266 760 S HN 0.159 nan 8.310 nan 0.000 0.410 761 F N 2.121 121.823 119.950 -0.412 0.000 2.269 761 F HA -0.038 4.488 4.527 -0.002 0.000 0.301 761 F C 2.542 178.130 175.800 -0.354 0.000 1.082 761 F CA 1.667 59.360 58.000 -0.511 0.000 1.360 761 F CB -0.179 38.184 39.000 -1.062 0.000 1.041 761 F HN 0.485 nan 8.300 nan 0.000 0.512 762 T N -1.270 113.224 114.554 -0.099 0.000 2.851 762 T HA -0.103 4.246 4.350 -0.002 0.000 0.262 762 T C 1.862 176.494 174.700 -0.114 0.000 1.043 762 T CA 1.033 63.105 62.100 -0.047 0.000 1.140 762 T CB -0.081 68.814 68.868 0.045 0.000 0.872 762 T HN 0.060 nan 8.240 nan 0.000 0.446 763 E N 1.149 121.232 120.200 -0.194 0.000 2.204 763 E HA 0.045 4.394 4.350 -0.002 0.000 0.194 763 E C 2.208 178.707 176.600 -0.167 0.000 0.989 763 E CA 0.532 56.803 56.400 -0.215 0.000 0.824 763 E CB -0.289 29.230 29.700 -0.301 0.000 0.756 763 E HN 0.467 nan 8.360 nan 0.000 0.477 764 L N 0.020 121.157 121.223 -0.143 0.000 2.109 764 L HA -0.091 4.248 4.340 -0.002 0.000 0.207 764 L C 2.461 179.248 176.870 -0.138 0.000 1.086 764 L CA 0.987 55.761 54.840 -0.110 0.000 0.760 764 L CB -0.455 41.556 42.059 -0.080 0.000 0.910 764 L HN 0.045 nan 8.230 nan 0.000 0.437 765 A N 0.251 123.019 122.820 -0.087 0.000 1.898 765 A HA -0.177 4.142 4.320 -0.002 0.000 0.216 765 A C 2.375 179.852 177.584 -0.178 0.000 1.181 765 A CA 1.233 53.231 52.037 -0.064 0.000 0.620 765 A CB -0.418 18.604 19.000 0.037 0.000 0.819 765 A HN 0.294 nan 8.150 nan 0.000 0.442 766 R N -0.521 119.896 120.500 -0.139 0.000 2.081 766 R HA -0.178 4.161 4.340 -0.002 0.000 0.235 766 R C 1.979 178.167 176.300 -0.186 0.000 1.131 766 R CA 1.715 57.734 56.100 -0.136 0.000 0.960 766 R CB -0.491 29.739 30.300 -0.118 0.000 0.856 766 R HN 0.762 nan 8.270 nan 0.000 0.436 767 D N -0.375 119.897 120.400 -0.214 0.000 2.144 767 D HA -0.093 4.546 4.640 -0.002 0.000 0.200 767 D C 1.966 178.071 176.300 -0.325 0.000 0.978 767 D CA 1.351 55.222 54.000 -0.214 0.000 0.833 767 D CB -0.131 40.569 40.800 -0.165 0.000 0.961 767 D HN 0.228 nan 8.370 nan 0.000 0.470 768 G N -0.350 108.076 108.800 -0.624 0.000 2.402 768 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.216 768 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.216 768 G C 1.630 176.037 174.900 -0.823 0.000 1.162 768 G CA 0.599 44.982 45.100 -1.195 0.000 0.777 768 G HN 0.309 nan 8.290 nan 0.000 0.539 769 Q N 0.115 119.576 119.800 -0.565 0.000 2.084 769 Q HA -0.107 4.232 4.340 -0.002 0.000 0.202 769 Q C 2.214 178.187 176.000 -0.044 0.000 0.978 769 Q CA 1.496 57.235 55.803 -0.108 0.000 0.844 769 Q CB -0.062 28.656 28.738 -0.033 0.000 0.898 769 Q HN 0.337 nan 8.270 nan 0.000 0.426 770 D N -0.344 120.004 120.400 -0.087 0.000 2.144 770 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 770 D C 1.817 178.141 176.300 0.041 0.000 0.984 770 D CA 0.842 54.833 54.000 -0.015 0.000 0.834 770 D CB -0.360 40.409 40.800 -0.052 0.000 0.955 770 D HN 0.259 nan 8.370 nan 0.000 0.465 771 C N 0.808 120.096 119.300 -0.019 0.000 2.453 771 C HA -0.040 4.418 4.460 -0.002 0.000 0.277 771 C C 2.536 177.620 174.990 0.156 0.000 1.262 771 C CA 0.376 59.416 59.018 0.036 0.000 1.718 771 C CB -0.491 27.229 27.740 -0.034 0.000 2.031 771 C HN 0.304 nan 8.230 nan 0.000 0.480 772 E N 0.575 120.854 120.200 0.132 0.000 2.110 772 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 772 E C 2.269 178.967 176.600 0.164 0.000 0.988 772 E CA 0.824 57.329 56.400 0.175 0.000 0.804 772 E CB -0.492 29.341 29.700 0.222 0.000 0.745 772 E HN 0.631 nan 8.360 nan 0.000 0.458 773 R N -0.737 119.854 120.500 0.152 0.000 2.075 773 R HA -0.154 4.185 4.340 -0.002 0.000 0.232 773 R C 2.208 178.621 176.300 0.188 0.000 1.126 773 R CA 1.435 57.616 56.100 0.134 0.000 0.963 773 R CB -0.516 29.849 30.300 0.108 0.000 0.858 773 R HN 0.209 nan 8.270 nan 0.000 0.435 774 W N 2.045 123.389 121.300 0.074 0.000 2.381 774 W HA -0.121 4.538 4.660 -0.002 0.000 0.301 774 W C 1.614 178.254 176.519 0.201 0.000 1.205 774 W CA 1.583 59.011 57.345 0.139 0.000 1.285 774 W CB -0.164 29.301 29.460 0.007 0.000 1.133 774 W HN 0.166 nan 8.180 nan 0.000 0.521 775 N N 0.305 119.268 118.700 0.439 0.000 2.043 775 N HA -0.278 4.461 4.740 -0.002 0.000 0.193 775 N C 1.841 177.397 175.510 0.077 0.000 1.037 775 N CA 2.239 55.462 53.050 0.288 0.000 0.851 775 N CB -1.308 37.332 38.487 0.255 0.000 1.027 775 N HN 0.341 nan 8.380 nan 0.000 0.422 776 M N 0.278 119.917 119.600 0.065 0.000 2.149 776 M HA -0.105 4.374 4.480 -0.002 0.000 0.261 776 M C 1.261 177.512 176.300 -0.083 0.000 1.064 776 M CA 1.483 56.784 55.300 0.001 0.000 1.102 776 M CB -0.036 32.573 32.600 0.015 0.000 1.369 776 M HN 0.056 nan 8.290 nan 0.000 0.408 777 L N -0.953 120.190 121.223 -0.133 0.000 2.492 777 L HA -0.023 4.316 4.340 -0.002 0.000 0.223 777 L C 0.115 176.596 176.870 -0.649 0.000 1.132 777 L CA 0.282 54.928 54.840 -0.323 0.000 0.850 777 L CB -0.321 41.553 42.059 -0.307 0.000 0.966 777 L HN 0.374 nan 8.230 nan 0.000 0.454 778 H N -0.977 117.796 119.070 -0.494 0.000 2.380 778 H HA 0.169 4.723 4.556 -0.002 0.000 0.231 778 H C -1.684 173.460 175.328 -0.307 0.000 1.415 778 H CA -1.539 54.171 56.048 -0.562 0.000 1.433 778 H CB 0.394 29.410 29.762 -1.244 0.000 1.544 778 H HN -0.098 nan 8.280 nan 0.000 0.503 779 P HA -0.140 nan 4.420 nan 0.000 0.222 779 P C 0.775 178.065 177.300 -0.016 0.000 1.147 779 P CA 0.745 63.814 63.100 -0.051 0.000 0.790 779 P CB 0.634 32.297 31.700 -0.061 0.000 0.780 780 L N -1.068 120.143 121.223 -0.019 0.000 2.592 780 L HA 0.194 4.533 4.340 -0.002 0.000 0.227 780 L C 1.145 178.044 176.870 0.048 0.000 1.127 780 L CA 0.706 55.552 54.840 0.010 0.000 0.884 780 L CB -0.978 41.081 42.059 0.001 0.000 1.065 780 L HN -0.100 nan 8.230 nan 0.000 0.457 781 E N -0.515 119.727 120.200 0.071 0.000 2.250 781 E HA 0.282 4.631 4.350 -0.002 0.000 0.269 781 E C -0.138 176.584 176.600 0.203 0.000 1.018 781 E CA -0.326 56.173 56.400 0.165 0.000 0.873 781 E CB 0.852 30.709 29.700 0.262 0.000 1.134 781 E HN -0.128 nan 8.360 nan 0.000 0.403 782 T N 3.696 118.372 114.554 0.204 0.000 2.853 782 T HA 0.180 4.528 4.350 -0.002 0.000 0.298 782 T C -2.205 172.621 174.700 0.210 0.000 0.978 782 T CA -0.898 61.293 62.100 0.152 0.000 1.152 782 T CB 0.142 69.064 68.868 0.089 0.000 0.914 782 T HN 0.091 nan 8.240 nan 0.000 0.539 783 P HA 0.091 nan 4.420 nan 0.000 0.263 783 P C 0.182 177.536 177.300 0.090 0.000 1.195 783 P CA -0.022 63.185 63.100 0.179 0.000 0.762 783 P CB 0.426 32.198 31.700 0.120 0.000 0.799 784 R N 1.789 122.325 120.500 0.061 0.000 2.594 784 R HA 0.301 4.640 4.340 -0.002 0.000 0.272 784 R C -0.433 175.851 176.300 -0.028 0.000 1.074 784 R CA -0.627 55.415 56.100 -0.097 0.000 1.105 784 R CB 0.568 30.693 30.300 -0.292 0.000 1.008 784 R HN 0.257 nan 8.270 nan 0.000 0.472 785 V N 4.665 124.550 119.914 -0.049 0.000 2.370 785 V HA 0.213 4.332 4.120 -0.002 0.000 0.279 785 V C -2.036 174.042 176.094 -0.027 0.000 1.029 785 V CA -2.287 60.000 62.300 -0.023 0.000 0.870 785 V CB 1.302 33.106 31.823 -0.031 0.000 0.984 785 V HN 0.650 nan 8.190 nan 0.000 0.451 786 P HA 0.004 nan 4.420 nan 0.000 0.265 786 P C 0.381 177.682 177.300 0.003 0.000 1.193 786 P CA 0.129 63.210 63.100 -0.033 0.000 0.765 786 P CB 0.412 32.088 31.700 -0.040 0.000 0.823 787 Y N 3.835 124.074 120.300 -0.101 0.000 2.139 787 Y HA -0.246 4.303 4.550 -0.002 0.000 0.282 787 Y C 2.062 177.919 175.900 -0.071 0.000 1.179 787 Y CA 1.580 59.635 58.100 -0.075 0.000 1.161 787 Y CB -0.482 37.934 38.460 -0.073 0.000 0.970 787 Y HN 0.330 nan 8.280 nan 0.000 0.511 788 I N -0.379 120.203 120.570 0.019 0.000 2.361 788 I HA -0.286 3.883 4.170 -0.002 0.000 0.251 788 I C 2.237 178.256 176.117 -0.163 0.000 1.133 788 I CA 1.551 62.798 61.300 -0.089 0.000 1.413 788 I CB -0.324 37.642 38.000 -0.058 0.000 1.073 788 I HN 0.328 nan 8.210 nan 0.000 0.424 789 A N -0.389 122.369 122.820 -0.105 0.000 2.066 789 A HA -0.163 4.155 4.320 -0.002 0.000 0.218 789 A C 2.163 179.669 177.584 -0.129 0.000 1.157 789 A CA 0.998 52.976 52.037 -0.098 0.000 0.670 789 A CB -0.368 18.612 19.000 -0.034 0.000 0.804 789 A HN 0.580 nan 8.150 nan 0.000 0.453 790 Q N -0.776 118.913 119.800 -0.186 0.000 2.245 790 Q HA -0.013 4.326 4.340 -0.002 0.000 0.201 790 Q C 1.841 177.691 176.000 -0.249 0.000 0.955 790 Q CA 1.200 56.873 55.803 -0.217 0.000 0.870 790 Q CB 0.044 28.609 28.738 -0.289 0.000 0.945 790 Q HN 0.512 nan 8.270 nan 0.000 0.461 791 V N 0.302 120.027 119.914 -0.315 0.000 2.500 791 V HA -0.026 4.093 4.120 -0.002 0.000 0.243 791 V C 1.237 177.284 176.094 -0.079 0.000 1.039 791 V CA 0.883 63.058 62.300 -0.207 0.000 1.053 791 V CB 0.011 31.689 31.823 -0.243 0.000 0.695 791 V HN 0.270 nan 8.190 nan 0.000 0.463 792 M N 0.836 120.313 119.600 -0.205 0.000 2.245 792 M HA 0.321 4.800 4.480 -0.002 0.000 0.292 792 M C 0.109 176.378 176.300 -0.052 0.000 1.176 792 M CA -0.035 55.148 55.300 -0.196 0.000 1.035 792 M CB 0.618 33.001 32.600 -0.362 0.000 1.440 792 M HN 0.407 nan 8.290 nan 0.000 0.494 793 N N -0.864 117.841 118.700 0.008 0.000 3.100 793 N HA 0.349 5.088 4.740 -0.002 0.000 0.344 793 N C -0.592 174.920 175.510 0.003 0.000 1.413 793 N CA -0.785 52.275 53.050 0.018 0.000 0.752 793 N CB 0.375 38.895 38.487 0.055 0.000 1.519 793 N HN 0.602 nan 8.380 nan 0.000 0.620 794 D N -1.361 119.046 120.400 0.011 0.000 2.340 794 D HA 0.145 4.784 4.640 -0.002 0.000 0.220 794 D C 0.087 176.402 176.300 0.024 0.000 1.039 794 D CA -0.384 53.621 54.000 0.008 0.000 0.866 794 D CB -0.578 40.224 40.800 0.005 0.000 0.913 794 D HN 0.656 nan 8.370 nan 0.000 0.523 795 A N 1.824 124.669 122.820 0.042 0.000 2.498 795 A HA 0.353 4.672 4.320 -0.002 0.000 0.239 795 A C -2.106 175.515 177.584 0.062 0.000 1.068 795 A CA -1.038 51.030 52.037 0.052 0.000 0.766 795 A CB -0.222 18.818 19.000 0.066 0.000 1.003 795 A HN 0.057 nan 8.150 nan 0.000 0.497 796 P HA 0.130 nan 4.420 nan 0.000 0.259 796 P C -0.361 176.992 177.300 0.089 0.000 1.163 796 P CA 0.853 63.991 63.100 0.063 0.000 0.760 796 P CB 0.303 32.029 31.700 0.042 0.000 0.762 797 A N 3.591 126.488 122.820 0.128 0.000 2.355 797 A HA 0.687 5.006 4.320 -0.002 0.000 0.324 797 A C -0.782 176.881 177.584 0.132 0.000 1.117 797 A CA -0.623 51.524 52.037 0.183 0.000 0.785 797 A CB 1.400 20.574 19.000 0.291 0.000 1.254 797 A HN 0.325 nan 8.150 nan 0.000 0.453 798 V N 0.584 120.555 119.914 0.095 0.000 2.709 798 V HA 0.785 4.904 4.120 -0.002 0.000 0.308 798 V C 0.091 176.195 176.094 0.016 0.000 1.062 798 V CA -0.189 62.101 62.300 -0.017 0.000 0.901 798 V CB 1.683 33.503 31.823 -0.004 0.000 1.003 798 V HN 1.418 nan 8.190 nan 0.000 0.425 799 A N 2.744 125.501 122.820 -0.105 0.000 2.401 799 A HA 0.946 5.265 4.320 -0.002 0.000 0.310 799 A C -0.602 176.960 177.584 -0.037 0.000 1.075 799 A CA -0.595 51.449 52.037 0.012 0.000 0.746 799 A CB 2.149 21.174 19.000 0.042 0.000 1.277 799 A HN 0.809 nan 8.150 nan 0.000 0.425 800 S N -0.116 115.617 115.700 0.056 0.000 2.548 800 S HA 0.851 5.320 4.470 -0.002 0.000 0.276 800 S C -0.442 174.223 174.600 0.109 0.000 1.129 800 S CA 0.296 58.517 58.200 0.036 0.000 0.931 800 S CB 1.466 64.688 63.200 0.037 0.000 1.068 800 S HN 1.870 nan 8.310 nan 0.000 0.480 801 T N 0.334 114.947 114.554 0.098 0.000 2.754 801 T HA 0.491 4.840 4.350 -0.002 0.000 0.296 801 T C -0.581 174.170 174.700 0.086 0.000 1.205 801 T CA -0.506 61.713 62.100 0.198 0.000 1.009 801 T CB 1.330 70.450 68.868 0.419 0.000 1.368 801 T HN 0.300 nan 8.240 nan 0.000 0.509 802 D N -0.472 119.972 120.400 0.073 0.000 2.325 802 D HA 0.280 4.918 4.640 -0.002 0.000 0.234 802 D C -0.850 175.093 176.300 -0.595 0.000 1.122 802 D CA 0.110 53.967 54.000 -0.239 0.000 0.850 802 D CB -0.295 40.343 40.800 -0.269 0.000 0.921 802 D HN 0.416 nan 8.370 nan 0.000 0.513 803 Y N -0.156 120.099 120.300 -0.076 0.000 2.598 803 Y HA 0.330 4.879 4.550 -0.002 0.000 0.340 803 Y C 0.854 176.717 175.900 -0.061 0.000 1.038 803 Y CA -1.507 56.531 58.100 -0.104 0.000 1.100 803 Y CB 0.774 39.110 38.460 -0.206 0.000 1.281 803 Y HN -0.186 nan 8.280 nan 0.000 0.488 804 M N 0.254 119.901 119.600 0.079 0.000 2.247 804 M HA 0.137 4.616 4.480 -0.002 0.000 0.318 804 M C 0.480 176.812 176.300 0.053 0.000 1.054 804 M CA 0.122 55.439 55.300 0.028 0.000 1.117 804 M CB 0.467 33.079 32.600 0.020 0.000 1.515 804 M HN 0.707 nan 8.290 nan 0.000 0.442 805 K N 0.907 121.300 120.400 -0.013 0.000 2.127 805 K HA -0.200 4.119 4.320 -0.002 0.000 0.208 805 K C 1.727 178.292 176.600 -0.058 0.000 1.047 805 K CA 1.635 57.889 56.287 -0.056 0.000 0.927 805 K CB -0.515 31.936 32.500 -0.081 0.000 0.716 805 K HN 0.638 nan 8.250 nan 0.000 0.450 806 L N 0.586 121.803 121.223 -0.010 0.000 2.187 806 L HA -0.148 4.191 4.340 -0.002 0.000 0.213 806 L C 1.886 178.767 176.870 0.018 0.000 1.100 806 L CA 1.397 56.236 54.840 -0.001 0.000 0.765 806 L CB -0.506 41.565 42.059 0.021 0.000 0.904 806 L HN 0.099 nan 8.230 nan 0.000 0.437 807 F N 0.309 120.184 119.950 -0.124 0.000 2.126 807 F HA -0.191 4.334 4.527 -0.002 0.000 0.299 807 F C 2.170 177.722 175.800 -0.413 0.000 1.096 807 F CA 1.528 59.422 58.000 -0.176 0.000 1.255 807 F CB -0.608 38.317 39.000 -0.125 0.000 0.997 807 F HN 0.158 nan 8.300 nan 0.000 0.479 808 A N -0.960 121.427 122.820 -0.721 0.000 2.063 808 A HA 0.060 4.378 4.320 -0.002 0.000 0.211 808 A C 2.062 179.383 177.584 -0.437 0.000 1.177 808 A CA 0.569 51.817 52.037 -1.315 0.000 0.759 808 A CB -0.559 17.693 19.000 -1.247 0.000 0.857 808 A HN 0.414 nan 8.150 nan 0.000 0.468 809 E N 0.337 120.406 120.200 -0.218 0.000 2.204 809 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 809 E C 2.063 178.673 176.600 0.016 0.000 0.989 809 E CA 1.104 57.490 56.400 -0.022 0.000 0.824 809 E CB -0.129 29.538 29.700 -0.054 0.000 0.756 809 E HN 0.899 nan 8.360 nan 0.000 0.477 810 Q N 0.403 120.182 119.800 -0.035 0.000 2.443 810 Q HA -0.124 4.215 4.340 -0.002 0.000 0.213 810 Q C 1.708 177.761 176.000 0.089 0.000 0.982 810 Q CA 1.547 57.362 55.803 0.021 0.000 0.894 810 Q CB -0.234 28.515 28.738 0.017 0.000 0.947 810 Q HN 0.294 nan 8.270 nan 0.000 0.480 811 V N -3.050 116.916 119.914 0.087 0.000 3.542 811 V HA 0.256 4.375 4.120 -0.002 0.000 0.296 811 V C 1.933 177.967 176.094 -0.100 0.000 1.364 811 V CA 0.255 62.646 62.300 0.152 0.000 1.118 811 V CB -0.058 31.860 31.823 0.157 0.000 0.972 811 V HN 0.117 nan 8.190 nan 0.000 0.430 812 R N 2.098 122.525 120.500 -0.122 0.000 2.112 812 R HA -0.170 4.168 4.340 -0.002 0.000 0.242 812 R C 2.095 178.183 176.300 -0.353 0.000 1.137 812 R CA 2.883 58.870 56.100 -0.187 0.000 0.944 812 R CB -1.538 28.756 30.300 -0.010 0.000 0.857 812 R HN 0.512 nan 8.270 nan 0.000 0.435 813 T N -0.094 114.136 114.554 -0.540 0.000 2.822 813 T HA -0.179 4.169 4.350 -0.002 0.000 0.270 813 T C 0.900 175.103 174.700 -0.828 0.000 1.064 813 T CA 1.812 63.462 62.100 -0.749 0.000 1.131 813 T CB -0.334 67.915 68.868 -1.032 0.000 0.858 813 T HN 0.370 nan 8.240 nan 0.000 0.483 814 Y N -0.028 120.208 120.300 -0.108 0.000 2.478 814 Y HA 0.366 4.914 4.550 -0.002 0.000 0.261 814 Y C 0.965 176.763 175.900 -0.171 0.000 1.127 814 Y CA -1.053 56.978 58.100 -0.115 0.000 1.288 814 Y CB -0.353 38.051 38.460 -0.094 0.000 1.084 814 Y HN -0.075 nan 8.280 nan 0.000 0.530 815 V N 5.347 125.125 119.914 -0.227 0.000 2.479 815 V HA 0.029 4.148 4.120 -0.002 0.000 0.281 815 V C -1.276 174.709 176.094 -0.181 0.000 1.031 815 V CA -1.076 61.046 62.300 -0.297 0.000 1.038 815 V CB 0.942 32.393 31.823 -0.620 0.000 0.981 815 V HN 0.132 nan 8.190 nan 0.000 0.478 816 P HA 0.110 nan 4.420 nan 0.000 0.247 816 P C 0.217 177.483 177.300 -0.056 0.000 1.225 816 P CA 0.334 63.388 63.100 -0.077 0.000 0.768 816 P CB 0.315 31.978 31.700 -0.062 0.000 1.020 817 A N 0.146 122.930 122.820 -0.061 0.000 2.295 817 A HA 0.312 4.631 4.320 -0.002 0.000 0.318 817 A C 0.986 178.568 177.584 -0.003 0.000 1.134 817 A CA -0.394 51.634 52.037 -0.015 0.000 0.827 817 A CB 0.481 19.491 19.000 0.016 0.000 1.136 817 A HN -0.194 nan 8.150 nan 0.000 0.493 818 D N -0.082 120.324 120.400 0.010 0.000 2.224 818 D HA 0.004 4.643 4.640 -0.002 0.000 0.205 818 D C -0.415 175.902 176.300 0.029 0.000 0.965 818 D CA 1.437 55.444 54.000 0.011 0.000 0.852 818 D CB 0.266 41.072 40.800 0.010 0.000 0.947 818 D HN 0.510 nan 8.370 nan 0.000 0.494 819 D N -1.137 119.293 120.400 0.050 0.000 2.505 819 D HA 0.165 4.804 4.640 -0.002 0.000 0.249 819 D C -1.450 174.939 176.300 0.149 0.000 1.082 819 D CA -0.600 53.442 54.000 0.071 0.000 0.839 819 D CB 1.053 41.879 40.800 0.044 0.000 1.317 819 D HN -0.131 nan 8.370 nan 0.000 0.497 820 Y N 3.095 123.380 120.300 -0.025 0.000 2.475 820 Y HA 0.363 4.912 4.550 -0.002 0.000 0.343 820 Y C -0.911 174.971 175.900 -0.030 0.000 1.068 820 Y CA -0.712 57.372 58.100 -0.026 0.000 1.307 820 Y CB 0.531 38.967 38.460 -0.040 0.000 1.097 820 Y HN 0.210 nan 8.280 nan 0.000 0.530 821 R N 3.487 123.833 120.500 -0.257 0.000 2.357 821 R HA 0.711 5.050 4.340 -0.002 0.000 0.296 821 R C -1.241 174.781 176.300 -0.464 0.000 1.052 821 R CA -0.633 55.301 56.100 -0.277 0.000 0.988 821 R CB 1.408 31.628 30.300 -0.134 0.000 1.025 821 R HN 0.395 nan 8.270 nan 0.000 0.469 822 V N 5.606 125.282 119.914 -0.397 0.000 2.487 822 V HA 0.385 4.504 4.120 -0.002 0.000 0.298 822 V C -0.361 175.605 176.094 -0.213 0.000 1.028 822 V CA -0.751 61.320 62.300 -0.382 0.000 0.860 822 V CB 1.719 33.289 31.823 -0.422 0.000 0.991 822 V HN 0.581 nan 8.190 nan 0.000 0.427 823 L N 3.965 125.089 121.223 -0.165 0.000 2.331 823 L HA 1.000 5.339 4.340 -0.002 0.000 0.275 823 L C 0.587 177.397 176.870 -0.100 0.000 1.022 823 L CA -0.173 54.598 54.840 -0.116 0.000 0.812 823 L CB 1.988 43.998 42.059 -0.081 0.000 1.257 823 L HN 0.807 nan 8.230 nan 0.000 0.435 824 G N -0.796 107.950 108.800 -0.089 0.000 2.608 824 G HA2 0.415 4.374 3.960 -0.002 0.000 0.291 824 G HA3 0.415 4.374 3.960 -0.002 0.000 0.291 824 G C -0.433 174.425 174.900 -0.070 0.000 1.425 824 G CA -0.184 44.877 45.100 -0.065 0.000 0.787 824 G HN 0.477 nan 8.290 nan 0.000 0.484 825 T N -0.992 113.484 114.554 -0.129 0.000 3.268 825 T HA 0.327 4.676 4.350 -0.002 0.000 0.244 825 T C -0.296 174.311 174.700 -0.155 0.000 0.915 825 T CA -0.375 61.566 62.100 -0.266 0.000 0.935 825 T CB -0.492 67.972 68.868 -0.674 0.000 1.110 825 T HN 0.275 nan 8.240 nan 0.000 0.573 826 D N 1.632 122.032 120.400 0.000 0.000 2.472 826 D HA 0.489 5.128 4.640 -0.002 0.000 0.237 826 D C 1.022 177.406 176.300 0.141 0.000 1.141 826 D CA 1.375 55.379 54.000 0.008 0.000 0.875 826 D CB 0.262 41.052 40.800 -0.017 0.000 1.192 826 D HN 0.762 nan 8.370 nan 0.000 0.450 827 G N 0.051 108.877 108.800 0.044 0.000 2.515 827 G HA2 -0.043 3.915 3.960 -0.002 0.000 0.686 827 G HA3 -0.043 3.915 3.960 -0.002 0.000 0.686 827 G C -0.972 174.019 174.900 0.152 0.000 1.274 827 G CA -1.186 43.989 45.100 0.125 0.000 0.874 827 G HN 0.244 nan 8.290 nan 0.000 0.631 828 F N 1.288 121.368 119.950 0.217 0.000 2.429 828 F HA 0.522 5.048 4.527 -0.002 0.000 0.348 828 F C 1.634 177.625 175.800 0.319 0.000 1.109 828 F CA 1.193 59.306 58.000 0.188 0.000 1.232 828 F CB 1.116 40.180 39.000 0.107 0.000 1.157 828 F HN 0.745 nan 8.300 nan 0.000 0.564 829 G N 2.452 111.542 108.800 0.483 0.000 2.634 829 G HA2 0.583 4.542 3.960 -0.002 0.000 0.255 829 G HA3 0.583 4.542 3.960 -0.002 0.000 0.255 829 G C -0.787 174.279 174.900 0.277 0.000 1.205 829 G CA -0.740 44.616 45.100 0.426 0.000 0.884 829 G HN 0.745 nan 8.290 nan 0.000 0.549 830 R N -1.417 119.199 120.500 0.194 0.000 2.690 830 R HA 0.433 4.772 4.340 -0.002 0.000 0.269 830 R C -1.266 175.066 176.300 0.053 0.000 1.037 830 R CA -0.818 55.322 56.100 0.068 0.000 0.877 830 R CB 0.727 31.000 30.300 -0.046 0.000 1.255 830 R HN 0.381 nan 8.270 nan 0.000 0.467 831 S N 0.937 116.650 115.700 0.022 0.000 2.505 831 S HA 0.371 4.840 4.470 -0.002 0.000 0.276 831 S C -0.541 174.062 174.600 0.005 0.000 1.274 831 S CA -0.126 58.085 58.200 0.018 0.000 1.053 831 S CB 0.423 63.627 63.200 0.008 0.000 0.919 831 S HN 0.569 nan 8.310 nan 0.000 0.490 832 D N -0.041 120.371 120.400 0.020 0.000 2.827 832 D HA 0.143 4.782 4.640 -0.002 0.000 0.336 832 D C -0.849 175.473 176.300 0.037 0.000 1.374 832 D CA -0.368 53.644 54.000 0.020 0.000 0.794 832 D CB 1.036 41.841 40.800 0.008 0.000 1.364 832 D HN 0.528 nan 8.370 nan 0.000 0.464 833 S N -0.215 115.509 115.700 0.040 0.000 2.592 833 S HA 0.341 4.809 4.470 -0.002 0.000 0.271 833 S C 1.302 175.942 174.600 0.067 0.000 1.326 833 S CA -0.286 57.944 58.200 0.049 0.000 1.024 833 S CB 1.589 64.816 63.200 0.046 0.000 0.921 833 S HN 0.492 nan 8.310 nan 0.000 0.527 834 R N 0.877 121.419 120.500 0.071 0.000 2.103 834 R HA -0.173 4.166 4.340 -0.002 0.000 0.242 834 R C 2.372 178.724 176.300 0.087 0.000 1.142 834 R CA 1.960 58.108 56.100 0.079 0.000 0.960 834 R CB -0.471 29.882 30.300 0.088 0.000 0.858 834 R HN 0.944 nan 8.270 nan 0.000 0.439 835 E N 0.669 120.923 120.200 0.090 0.000 2.051 835 E HA -0.204 4.145 4.350 -0.002 0.000 0.192 835 E C 1.564 178.230 176.600 0.110 0.000 0.991 835 E CA 1.305 57.762 56.400 0.094 0.000 0.799 835 E CB 0.057 29.802 29.700 0.074 0.000 0.748 835 E HN 0.221 nan 8.360 nan 0.000 0.449 836 N N 0.411 119.169 118.700 0.097 0.000 2.188 836 N HA -0.110 4.629 4.740 -0.002 0.000 0.184 836 N C 1.903 177.510 175.510 0.162 0.000 1.018 836 N CA 0.848 53.966 53.050 0.114 0.000 0.858 836 N CB -0.168 38.360 38.487 0.069 0.000 0.989 836 N HN 0.244 nan 8.380 nan 0.000 0.426 837 L N 0.234 121.550 121.223 0.155 0.000 2.072 837 L HA -0.035 4.303 4.340 -0.002 0.000 0.205 837 L C 2.252 179.309 176.870 0.312 0.000 1.079 837 L CA 0.835 55.821 54.840 0.243 0.000 0.752 837 L CB -0.189 42.026 42.059 0.261 0.000 0.906 837 L HN 0.069 nan 8.230 nan 0.000 0.436 838 R N -1.364 119.253 120.500 0.195 0.000 2.193 838 R HA -0.182 4.157 4.340 -0.002 0.000 0.229 838 R C 2.149 178.555 176.300 0.177 0.000 1.110 838 R CA 0.956 57.131 56.100 0.125 0.000 0.988 838 R CB -0.158 30.139 30.300 -0.005 0.000 0.871 838 R HN 0.320 nan 8.270 nan 0.000 0.458 839 H N -1.477 117.665 119.070 0.120 0.000 2.370 839 H HA -0.028 4.527 4.556 -0.002 0.000 0.304 839 H C 1.819 177.180 175.328 0.055 0.000 1.055 839 H CA 1.735 57.887 56.048 0.174 0.000 1.373 839 H CB 0.001 29.879 29.762 0.194 0.000 1.423 839 H HN 0.251 nan 8.280 nan 0.000 0.533 840 H N -0.720 118.358 119.070 0.014 0.000 2.319 840 H HA -0.148 4.407 4.556 -0.002 0.000 0.299 840 H C 1.172 176.281 175.328 -0.366 0.000 1.092 840 H CA 2.149 58.075 56.048 -0.203 0.000 1.302 840 H CB -0.471 29.116 29.762 -0.292 0.000 1.373 840 H HN 0.295 nan 8.280 nan 0.000 0.497 841 F N 1.219 121.071 119.950 -0.164 0.000 2.802 841 F HA 0.077 4.603 4.527 -0.002 0.000 0.300 841 F C 0.359 175.900 175.800 -0.432 0.000 1.168 841 F CA 0.868 58.713 58.000 -0.259 0.000 1.433 841 F CB -0.293 38.653 39.000 -0.091 0.000 1.115 841 F HN 0.268 nan 8.300 nan 0.000 0.582 842 E N -0.762 119.094 120.200 -0.572 0.000 2.252 842 E HA -0.194 4.155 4.350 -0.002 0.000 0.218 842 E C 0.536 176.739 176.600 -0.662 0.000 1.253 842 E CA 0.485 56.091 56.400 -1.323 0.000 0.705 842 E CB -1.941 26.940 29.700 -1.365 0.000 1.172 842 E HN 0.419 nan 8.360 nan 0.000 0.369 843 V N -3.046 116.708 119.914 -0.266 0.000 3.398 843 V HA 0.079 4.198 4.120 -0.002 0.000 0.298 843 V C 0.656 176.754 176.094 0.006 0.000 1.496 843 V CA 0.261 62.508 62.300 -0.089 0.000 1.044 843 V CB 0.073 31.850 31.823 -0.077 0.000 0.880 843 V HN 0.305 nan 8.190 nan 0.000 0.443 844 D N 1.344 121.804 120.400 0.099 0.000 2.398 844 D HA 0.487 5.126 4.640 -0.002 0.000 0.247 844 D C 1.618 178.007 176.300 0.149 0.000 1.227 844 D CA 0.336 54.418 54.000 0.137 0.000 0.980 844 D CB 1.369 42.302 40.800 0.223 0.000 1.106 844 D HN 0.157 nan 8.370 nan 0.000 0.493 845 A N 0.575 123.469 122.820 0.123 0.000 1.903 845 A HA -0.260 4.059 4.320 -0.002 0.000 0.219 845 A C 2.182 179.667 177.584 -0.165 0.000 1.191 845 A CA 3.363 55.407 52.037 0.011 0.000 0.638 845 A CB -1.526 17.475 19.000 0.002 0.000 0.823 845 A HN 0.742 nan 8.150 nan 0.000 0.451 846 S N -1.578 113.952 115.700 -0.283 0.000 2.383 846 S HA -0.225 4.244 4.470 -0.002 0.000 0.229 846 S C 1.871 176.193 174.600 -0.464 0.000 1.030 846 S CA 1.614 59.381 58.200 -0.721 0.000 1.002 846 S CB -0.836 62.016 63.200 -0.581 0.000 0.829 846 S HN 0.601 nan 8.310 nan 0.000 0.467 847 Y N 1.432 121.639 120.300 -0.154 0.000 2.263 847 Y HA 0.071 4.620 4.550 -0.002 0.000 0.292 847 Y C 2.755 178.600 175.900 -0.092 0.000 1.130 847 Y CA 0.831 58.869 58.100 -0.103 0.000 1.179 847 Y CB -0.385 38.017 38.460 -0.096 0.000 0.998 847 Y HN 0.126 nan 8.280 nan 0.000 0.532 848 V N -1.111 118.833 119.914 0.052 0.000 2.295 848 V HA -0.273 3.846 4.120 -0.002 0.000 0.246 848 V C 2.180 178.256 176.094 -0.030 0.000 1.049 848 V CA 1.623 63.932 62.300 0.016 0.000 1.024 848 V CB -0.842 30.995 31.823 0.023 0.000 0.648 848 V HN 0.206 nan 8.190 nan 0.000 0.447 849 V N -0.284 119.575 119.914 -0.091 0.000 2.287 849 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 849 V C 2.436 178.480 176.094 -0.084 0.000 1.053 849 V CA 2.056 64.296 62.300 -0.098 0.000 1.027 849 V CB -0.477 31.260 31.823 -0.143 0.000 0.646 849 V HN 0.409 nan 8.190 nan 0.000 0.447 850 V N 0.095 119.971 119.914 -0.064 0.000 2.490 850 V HA -0.243 3.875 4.120 -0.002 0.000 0.250 850 V C 2.602 178.679 176.094 -0.029 0.000 1.061 850 V CA 1.942 64.227 62.300 -0.025 0.000 1.064 850 V CB -0.957 30.849 31.823 -0.028 0.000 0.670 850 V HN 0.571 nan 8.190 nan 0.000 0.461 851 A N -0.206 122.604 122.820 -0.016 0.000 1.897 851 A HA 0.003 4.322 4.320 -0.002 0.000 0.215 851 A C 2.423 179.991 177.584 -0.026 0.000 1.181 851 A CA 1.733 53.763 52.037 -0.012 0.000 0.620 851 A CB -0.685 18.312 19.000 -0.005 0.000 0.821 851 A HN 0.530 nan 8.150 nan 0.000 0.443 852 A N -0.029 122.772 122.820 -0.032 0.000 1.877 852 A HA -0.050 4.269 4.320 -0.002 0.000 0.216 852 A C 2.150 179.704 177.584 -0.051 0.000 1.186 852 A CA 1.486 53.505 52.037 -0.030 0.000 0.620 852 A CB -0.680 18.305 19.000 -0.026 0.000 0.822 852 A HN 0.458 nan 8.150 nan 0.000 0.443 853 L N -0.643 120.523 121.223 -0.095 0.000 2.079 853 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 853 L C 2.779 179.610 176.870 -0.065 0.000 1.081 853 L CA 1.061 55.827 54.840 -0.123 0.000 0.752 853 L CB -0.835 41.097 42.059 -0.212 0.000 0.896 853 L HN 0.520 nan 8.230 nan 0.000 0.433 854 G N -0.233 108.540 108.800 -0.045 0.000 2.432 854 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.219 854 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.219 854 G C 1.412 176.302 174.900 -0.017 0.000 1.135 854 G CA 0.542 45.627 45.100 -0.025 0.000 0.767 854 G HN 0.467 nan 8.290 nan 0.000 0.550 855 E N 0.132 120.322 120.200 -0.015 0.000 2.051 855 E HA 0.059 4.408 4.350 -0.002 0.000 0.189 855 E C 2.515 179.114 176.600 -0.001 0.000 0.979 855 E CA 0.268 56.666 56.400 -0.004 0.000 0.803 855 E CB -0.209 29.493 29.700 0.003 0.000 0.761 855 E HN 0.334 nan 8.360 nan 0.000 0.451 856 L N 0.938 122.158 121.223 -0.005 0.000 2.131 856 L HA -0.165 4.173 4.340 -0.002 0.000 0.210 856 L C 2.584 179.454 176.870 0.000 0.000 1.092 856 L CA 0.854 55.694 54.840 0.000 0.000 0.759 856 L CB -0.507 41.550 42.059 -0.004 0.000 0.903 856 L HN 0.166 nan 8.230 nan 0.000 0.435 857 A N 0.220 123.036 122.820 -0.006 0.000 1.873 857 A HA -0.182 4.137 4.320 -0.002 0.000 0.215 857 A C 2.314 179.898 177.584 0.001 0.000 1.186 857 A CA 1.353 53.389 52.037 -0.002 0.000 0.616 857 A CB -0.275 18.721 19.000 -0.007 0.000 0.823 857 A HN 0.286 nan 8.150 nan 0.000 0.442 858 K N -0.506 119.894 120.400 -0.001 0.000 2.147 858 K HA -0.129 4.190 4.320 -0.002 0.000 0.205 858 K C 2.080 178.683 176.600 0.004 0.000 1.049 858 K CA 1.441 57.729 56.287 0.001 0.000 0.936 858 K CB -0.176 32.324 32.500 0.000 0.000 0.722 858 K HN 0.374 nan 8.250 nan 0.000 0.446 859 R N -0.490 120.013 120.500 0.006 0.000 2.235 859 R HA -0.041 4.298 4.340 -0.002 0.000 0.213 859 R C 1.248 177.553 176.300 0.009 0.000 1.059 859 R CA 0.769 56.874 56.100 0.008 0.000 0.997 859 R CB 0.119 30.425 30.300 0.011 0.000 0.884 859 R HN 0.456 nan 8.270 nan 0.000 0.462 860 G N 0.287 109.092 108.800 0.009 0.000 2.157 860 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.239 860 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.239 860 G C 0.535 175.443 174.900 0.013 0.000 0.982 860 G CA 0.326 45.432 45.100 0.010 0.000 0.650 860 G HN 0.411 nan 8.290 nan 0.000 0.527 861 E N -0.499 119.710 120.200 0.014 0.000 2.216 861 E HA 0.241 4.590 4.350 -0.002 0.000 0.192 861 E C 1.367 177.981 176.600 0.024 0.000 0.988 861 E CA 1.177 57.589 56.400 0.019 0.000 0.834 861 E CB 0.107 29.820 29.700 0.020 0.000 0.772 861 E HN 0.903 nan 8.360 nan 0.000 0.479 862 I N -3.255 117.327 120.570 0.021 0.000 3.074 862 I HA 0.410 4.579 4.170 -0.002 0.000 0.310 862 I C -0.718 175.411 176.117 0.021 0.000 1.153 862 I CA -1.315 60.001 61.300 0.027 0.000 0.993 862 I CB 1.897 39.914 38.000 0.029 0.000 1.237 862 I HN -0.378 nan 8.210 nan 0.000 0.443 863 D N 2.391 122.807 120.400 0.027 0.000 2.350 863 D HA 0.175 4.814 4.640 -0.002 0.000 0.249 863 D C 0.702 177.011 176.300 0.016 0.000 1.119 863 D CA -0.051 53.961 54.000 0.020 0.000 0.886 863 D CB 1.630 42.444 40.800 0.023 0.000 1.195 863 D HN 0.570 nan 8.370 nan 0.000 0.437 864 K N 2.458 122.863 120.400 0.009 0.000 2.211 864 K HA -0.160 4.159 4.320 -0.002 0.000 0.204 864 K C 1.641 178.246 176.600 0.007 0.000 1.047 864 K CA 0.832 57.122 56.287 0.005 0.000 0.935 864 K CB 0.204 32.706 32.500 0.003 0.000 0.728 864 K HN 0.376 nan 8.250 nan 0.000 0.452 865 K N 0.896 121.302 120.400 0.011 0.000 2.097 865 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 865 K C 2.173 178.785 176.600 0.020 0.000 1.049 865 K CA 1.453 57.747 56.287 0.012 0.000 0.933 865 K CB -0.184 32.323 32.500 0.012 0.000 0.717 865 K HN 0.134 nan 8.250 nan 0.000 0.442 866 V N -1.029 118.905 119.914 0.034 0.000 2.515 866 V HA -0.138 3.981 4.120 -0.002 0.000 0.250 866 V C 1.964 178.083 176.094 0.043 0.000 1.058 866 V CA 1.753 64.094 62.300 0.067 0.000 1.064 866 V CB -0.385 31.505 31.823 0.112 0.000 0.675 866 V HN 0.191 nan 8.190 nan 0.000 0.461 867 V N 0.744 120.661 119.914 0.005 0.000 2.488 867 V HA 0.150 4.269 4.120 -0.002 0.000 0.246 867 V C 2.698 178.792 176.094 -0.001 0.000 1.046 867 V CA 1.981 64.273 62.300 -0.015 0.000 1.053 867 V CB -0.779 31.029 31.823 -0.025 0.000 0.679 867 V HN 0.616 nan 8.190 nan 0.000 0.458 868 A N 0.032 122.852 122.820 0.001 0.000 2.015 868 A HA -0.147 4.172 4.320 -0.002 0.000 0.219 868 A C 1.831 179.410 177.584 -0.009 0.000 1.163 868 A CA 1.838 53.874 52.037 -0.002 0.000 0.646 868 A CB -0.623 18.377 19.000 -0.001 0.000 0.806 868 A HN 0.634 nan 8.150 nan 0.000 0.448 869 D N -0.275 120.119 120.400 -0.010 0.000 2.249 869 D HA 0.140 4.779 4.640 -0.002 0.000 0.205 869 D C 2.153 178.404 176.300 -0.082 0.000 0.962 869 D CA 1.123 55.103 54.000 -0.033 0.000 0.860 869 D CB -0.282 40.508 40.800 -0.017 0.000 0.955 869 D HN 0.395 nan 8.370 nan 0.000 0.505 870 A N 0.897 123.685 122.820 -0.054 0.000 1.898 870 A HA -0.096 4.222 4.320 -0.002 0.000 0.216 870 A C 2.288 179.824 177.584 -0.081 0.000 1.181 870 A CA 0.708 52.664 52.037 -0.135 0.000 0.620 870 A CB -0.673 18.372 19.000 0.075 0.000 0.819 870 A HN 0.154 nan 8.150 nan 0.000 0.442 871 I N -0.248 120.331 120.570 0.016 0.000 2.208 871 I HA -0.314 3.854 4.170 -0.002 0.000 0.245 871 I C 2.944 179.063 176.117 0.003 0.000 1.097 871 I CA 1.135 62.453 61.300 0.030 0.000 1.363 871 I CB -0.287 37.716 38.000 0.005 0.000 1.051 871 I HN 0.386 nan 8.210 nan 0.000 0.413 872 A N 0.595 123.392 122.820 -0.038 0.000 1.872 872 A HA -0.230 4.089 4.320 -0.002 0.000 0.214 872 A C 2.402 179.935 177.584 -0.086 0.000 1.187 872 A CA 1.635 53.646 52.037 -0.043 0.000 0.614 872 A CB -0.528 18.446 19.000 -0.044 0.000 0.826 872 A HN 0.326 nan 8.150 nan 0.000 0.442 873 K N -1.305 118.971 120.400 -0.207 0.000 2.103 873 K HA -0.157 4.162 4.320 -0.002 0.000 0.207 873 K C 0.686 177.099 176.600 -0.311 0.000 1.048 873 K CA 1.566 57.648 56.287 -0.342 0.000 0.930 873 K CB -0.263 31.880 32.500 -0.595 0.000 0.716 873 K HN 0.395 nan 8.250 nan 0.000 0.444 874 F N 1.661 121.617 119.950 0.010 0.000 2.692 874 F HA 0.193 4.719 4.527 -0.002 0.000 0.303 874 F C 0.040 175.861 175.800 0.036 0.000 1.114 874 F CA -0.414 57.593 58.000 0.011 0.000 1.361 874 F CB -0.354 38.634 39.000 -0.020 0.000 1.063 874 F HN 0.052 nan 8.300 nan 0.000 0.550 875 N N 1.351 120.143 118.700 0.154 0.000 2.714 875 N HA -0.235 4.504 4.740 -0.002 0.000 0.253 875 N C -0.483 175.172 175.510 0.241 0.000 1.024 875 N CA 0.579 53.715 53.050 0.143 0.000 0.726 875 N CB -1.482 37.068 38.487 0.105 0.000 0.908 875 N HN 0.329 nan 8.380 nan 0.000 0.542 876 I N 0.260 120.918 120.570 0.146 0.000 2.336 876 I HA 0.101 4.270 4.170 -0.002 0.000 0.292 876 I C 0.527 176.680 176.117 0.060 0.000 0.991 876 I CA -0.612 60.722 61.300 0.056 0.000 1.227 876 I CB 1.373 39.267 38.000 -0.177 0.000 1.366 876 I HN -0.101 nan 8.210 nan 0.000 0.466 877 D N 5.895 126.344 120.400 0.083 0.000 2.453 877 D HA 0.262 4.900 4.640 -0.002 0.000 0.223 877 D C 0.948 177.278 176.300 0.050 0.000 1.183 877 D CA -0.094 53.944 54.000 0.063 0.000 0.933 877 D CB 1.418 42.259 40.800 0.068 0.000 1.038 877 D HN 0.641 nan 8.370 nan 0.000 0.513 878 A N 3.668 126.510 122.820 0.037 0.000 2.076 878 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 878 A C 1.236 178.832 177.584 0.021 0.000 1.160 878 A CA 1.083 53.139 52.037 0.032 0.000 0.653 878 A CB 0.109 19.121 19.000 0.021 0.000 0.801 878 A HN 0.517 nan 8.150 nan 0.000 0.455 879 D N -0.118 120.293 120.400 0.017 0.000 2.463 879 D HA 0.083 4.722 4.640 -0.002 0.000 0.224 879 D C 0.032 176.335 176.300 0.004 0.000 1.174 879 D CA -0.070 53.935 54.000 0.009 0.000 0.829 879 D CB 0.160 40.965 40.800 0.009 0.000 0.993 879 D HN 0.705 nan 8.370 nan 0.000 0.497 880 K N 0.128 120.528 120.400 0.001 0.000 2.154 880 K HA 0.308 4.627 4.320 -0.002 0.000 0.264 880 K C 0.392 176.972 176.600 -0.033 0.000 1.008 880 K CA -0.609 55.672 56.287 -0.010 0.000 0.937 880 K CB 1.986 34.478 32.500 -0.013 0.000 1.002 880 K HN -0.245 nan 8.250 nan 0.000 0.469 881 V N 2.287 122.184 119.914 -0.028 0.000 3.061 881 V HA -0.109 4.010 4.120 -0.002 0.000 0.306 881 V C 0.330 176.379 176.094 -0.074 0.000 1.118 881 V CA 0.015 62.295 62.300 -0.033 0.000 1.231 881 V CB 0.430 32.246 31.823 -0.010 0.000 0.956 881 V HN 0.976 nan 8.190 nan 0.000 0.499 882 N N 6.363 125.025 118.700 -0.063 0.000 2.447 882 N HA 0.081 4.820 4.740 -0.002 0.000 0.263 882 N C -1.727 173.721 175.510 -0.104 0.000 1.226 882 N CA -1.009 51.989 53.050 -0.087 0.000 0.906 882 N CB 1.493 39.947 38.487 -0.055 0.000 1.060 882 N HN 0.421 nan 8.380 nan 0.000 0.468 883 P HA -0.153 nan 4.420 nan 0.000 0.217 883 P C 1.233 178.530 177.300 -0.005 0.000 1.148 883 P CA 1.101 64.069 63.100 -0.219 0.000 0.828 883 P CB 0.167 31.626 31.700 -0.401 0.000 0.783 884 R N -0.508 119.990 120.500 -0.004 0.000 2.120 884 R HA -0.111 4.228 4.340 -0.002 0.000 0.234 884 R C 1.417 177.737 176.300 0.034 0.000 1.123 884 R CA 1.208 57.314 56.100 0.011 0.000 0.975 884 R CB -0.494 29.791 30.300 -0.026 0.000 0.866 884 R HN 0.132 nan 8.270 nan 0.000 0.446 885 L N -0.004 121.237 121.223 0.030 0.000 2.416 885 L HA 0.240 4.579 4.340 -0.002 0.000 0.216 885 L C 1.264 178.182 176.870 0.079 0.000 1.098 885 L CA 0.701 55.572 54.840 0.051 0.000 0.840 885 L CB -0.938 41.134 42.059 0.021 0.000 0.981 885 L HN 0.082 nan 8.230 nan 0.000 0.462 886 A N 0.000 122.865 122.820 0.075 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.094 52.037 0.095 0.000 0.836 886 A CB 0.000 19.080 19.000 0.134 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486