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 2g28_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.132 176.117 0.025 0.000 1.063 56 I CA 0.000 61.312 61.300 0.021 0.000 1.566 56 I CB 0.000 38.014 38.000 0.023 0.000 1.214 57 S N 2.201 117.920 115.700 0.032 0.000 2.739 57 S HA 0.574 5.047 4.470 0.006 0.000 0.306 57 S C -0.239 174.401 174.600 0.066 0.000 1.115 57 S CA -0.932 57.290 58.200 0.036 0.000 0.985 57 S CB 1.437 64.649 63.200 0.020 0.000 1.133 57 S HN 0.662 nan 8.310 nan 0.000 0.541 58 N N 0.379 119.123 118.700 0.073 0.000 2.305 58 N HA 0.001 4.744 4.740 0.006 0.000 0.232 58 N C -0.778 174.834 175.510 0.170 0.000 1.274 58 N CA 0.240 53.360 53.050 0.117 0.000 0.870 58 N CB -0.283 38.265 38.487 0.102 0.000 1.105 58 N HN 0.715 nan 8.380 nan 0.000 0.436 59 Y N 2.085 122.425 120.300 0.066 0.000 2.971 59 Y HA 0.247 4.800 4.550 0.006 0.000 0.384 59 Y C 0.318 176.320 175.900 0.170 0.000 1.166 59 Y CA -0.346 57.793 58.100 0.066 0.000 1.973 59 Y CB -0.797 37.737 38.460 0.124 0.000 2.082 59 Y HN 0.344 nan 8.280 nan 0.000 0.420 60 I N -2.673 117.935 120.570 0.063 0.000 3.354 60 I HA 0.531 4.704 4.170 0.006 0.000 0.316 60 I C -0.685 175.399 176.117 -0.055 0.000 1.182 60 I CA -1.630 59.739 61.300 0.114 0.000 0.942 60 I CB 1.346 39.456 38.000 0.183 0.000 1.299 60 I HN -0.212 nan 8.210 nan 0.000 0.473 61 N N 1.770 120.466 118.700 -0.006 0.000 2.458 61 N HA 0.097 4.840 4.740 0.006 0.000 0.258 61 N C 0.784 176.272 175.510 -0.036 0.000 1.219 61 N CA 0.106 53.121 53.050 -0.059 0.000 0.902 61 N CB 0.954 39.443 38.487 0.004 0.000 1.076 61 N HN 0.678 nan 8.380 nan 0.000 0.455 62 T N 1.473 115.984 114.554 -0.071 0.000 2.788 62 T HA 0.014 4.367 4.350 0.006 0.000 0.268 62 T C 1.029 175.717 174.700 -0.021 0.000 1.044 62 T CA 0.867 62.938 62.100 -0.049 0.000 1.139 62 T CB 0.009 68.832 68.868 -0.076 0.000 0.867 62 T HN 0.429 nan 8.240 nan 0.000 0.454 63 I N 3.853 124.413 120.570 -0.017 0.000 2.306 63 I HA 0.246 4.419 4.170 0.006 0.000 0.288 63 I C -2.151 173.989 176.117 0.037 0.000 1.036 63 I CA -2.461 58.844 61.300 0.009 0.000 1.221 63 I CB 1.272 39.276 38.000 0.007 0.000 1.385 63 I HN 0.008 nan 8.210 nan 0.000 0.472 64 P HA 0.067 nan 4.420 nan 0.000 0.274 64 P C 1.110 178.453 177.300 0.071 0.000 1.231 64 P CA -0.270 62.868 63.100 0.064 0.000 0.790 64 P CB 1.528 33.261 31.700 0.056 0.000 0.951 65 V N 1.582 121.547 119.914 0.085 0.000 2.439 65 V HA -0.258 3.865 4.120 0.006 0.000 0.253 65 V C 2.301 178.440 176.094 0.075 0.000 1.074 65 V CA 2.154 64.506 62.300 0.087 0.000 1.076 65 V CB -1.449 30.431 31.823 0.095 0.000 0.664 65 V HN 0.602 nan 8.190 nan 0.000 0.461 66 E N 1.029 121.268 120.200 0.065 0.000 2.338 66 E HA -0.188 4.165 4.350 0.006 0.000 0.197 66 E C 1.458 178.090 176.600 0.053 0.000 1.007 66 E CA 1.048 57.481 56.400 0.055 0.000 0.849 66 E CB -0.307 29.422 29.700 0.048 0.000 0.774 66 E HN 0.799 nan 8.360 nan 0.000 0.506 67 E N 0.682 120.916 120.200 0.056 0.000 2.526 67 E HA 0.055 4.409 4.350 0.006 0.000 0.208 67 E C 0.317 176.958 176.600 0.068 0.000 0.997 67 E CA -0.253 56.179 56.400 0.053 0.000 0.961 67 E CB 0.460 30.184 29.700 0.042 0.000 1.030 67 E HN 0.172 nan 8.360 nan 0.000 0.483 68 Q N 3.083 122.932 119.800 0.082 0.000 2.296 68 Q HA 0.146 4.489 4.340 0.006 0.000 0.262 68 Q C -2.116 173.958 176.000 0.122 0.000 0.981 68 Q CA -1.888 53.981 55.803 0.111 0.000 0.905 68 Q CB 0.719 29.526 28.738 0.115 0.000 1.186 68 Q HN -0.069 nan 8.270 nan 0.000 0.399 69 P HA 0.050 nan 4.420 nan 0.000 0.276 69 P C -0.823 176.551 177.300 0.124 0.000 1.244 69 P CA -0.319 62.874 63.100 0.156 0.000 0.801 69 P CB 0.786 32.627 31.700 0.236 0.000 1.006 70 E N 0.988 121.223 120.200 0.058 0.000 2.384 70 E HA -0.032 4.321 4.350 0.006 0.000 0.266 70 E C -0.870 175.674 176.600 -0.093 0.000 1.012 70 E CA -0.324 56.085 56.400 0.016 0.000 0.901 70 E CB 0.182 29.883 29.700 0.003 0.000 0.967 70 E HN 0.355 nan 8.360 nan 0.000 0.435 71 Y N 6.763 126.929 120.300 -0.223 0.000 2.544 71 Y HA 0.061 4.614 4.550 0.006 0.000 0.330 71 Y C -1.412 174.244 175.900 -0.406 0.000 1.136 71 Y CA -1.325 56.503 58.100 -0.454 0.000 1.417 71 Y CB 0.962 39.259 38.460 -0.272 0.000 1.229 71 Y HN 0.475 nan 8.280 nan 0.000 0.532 72 P HA 0.110 nan 4.420 nan 0.000 0.235 72 P C 0.383 177.521 177.300 -0.270 0.000 1.177 72 P CA 0.601 63.379 63.100 -0.538 0.000 0.785 72 P CB 0.503 31.863 31.700 -0.566 0.000 0.885 73 G N 0.583 109.194 108.800 -0.315 0.000 2.531 73 G HA2 0.173 4.136 3.960 0.006 0.000 0.313 73 G HA3 0.173 4.136 3.960 0.006 0.000 0.313 73 G C -0.573 174.553 174.900 0.377 0.000 1.238 73 G CA -0.432 44.852 45.100 0.307 0.000 0.994 73 G HN 0.037 nan 8.290 nan 0.000 0.493 74 N N 0.480 119.378 118.700 0.330 0.000 2.521 74 N HA 0.117 4.860 4.740 0.006 0.000 0.236 74 N C 1.526 177.046 175.510 0.016 0.000 1.067 74 N CA -0.273 52.831 53.050 0.091 0.000 0.939 74 N CB 0.798 39.244 38.487 -0.068 0.000 1.201 74 N HN 0.360 nan 8.380 nan 0.000 0.511 75 L N 2.521 123.769 121.223 0.040 0.000 2.042 75 L HA -0.204 4.140 4.340 0.006 0.000 0.210 75 L C 1.692 178.522 176.870 -0.066 0.000 1.076 75 L CA 1.357 56.164 54.840 -0.055 0.000 0.749 75 L CB -0.057 41.912 42.059 -0.151 0.000 0.893 75 L HN 0.422 nan 8.230 nan 0.000 0.432 76 E N -0.029 120.130 120.200 -0.067 0.000 2.047 76 E HA -0.194 4.160 4.350 0.006 0.000 0.191 76 E C 2.192 178.729 176.600 -0.105 0.000 0.987 76 E CA 0.980 57.342 56.400 -0.064 0.000 0.799 76 E CB -0.385 29.284 29.700 -0.051 0.000 0.752 76 E HN 0.344 nan 8.360 nan 0.000 0.449 77 L N 0.649 121.756 121.223 -0.193 0.000 2.056 77 L HA -0.202 4.141 4.340 0.006 0.000 0.207 77 L C 2.162 178.842 176.870 -0.317 0.000 1.078 77 L CA 1.414 56.066 54.840 -0.313 0.000 0.749 77 L CB -0.130 41.604 42.059 -0.541 0.000 0.901 77 L HN 0.193 nan 8.230 nan 0.000 0.433 78 E N -0.712 119.316 120.200 -0.288 0.000 2.085 78 E HA -0.267 4.087 4.350 0.006 0.000 0.194 78 E C 2.267 178.861 176.600 -0.011 0.000 0.994 78 E CA 0.800 57.131 56.400 -0.114 0.000 0.801 78 E CB -0.049 29.678 29.700 0.045 0.000 0.743 78 E HN 0.236 nan 8.360 nan 0.000 0.453 79 R N 1.112 121.611 120.500 -0.002 0.000 2.096 79 R HA -0.110 4.234 4.340 0.006 0.000 0.235 79 R C 2.182 178.531 176.300 0.081 0.000 1.127 79 R CA 1.252 57.388 56.100 0.061 0.000 0.968 79 R CB -0.226 30.111 30.300 0.062 0.000 0.861 79 R HN 0.080 nan 8.270 nan 0.000 0.440 80 R N 0.155 120.674 120.500 0.031 0.000 2.073 80 R HA -0.064 4.279 4.340 0.006 0.000 0.234 80 R C 2.373 178.770 176.300 0.161 0.000 1.134 80 R CA 1.633 57.776 56.100 0.073 0.000 0.952 80 R CB -0.260 30.026 30.300 -0.024 0.000 0.850 80 R HN 0.206 nan 8.270 nan 0.000 0.433 81 I N -0.042 120.554 120.570 0.045 0.000 2.252 81 I HA -0.222 3.951 4.170 0.006 0.000 0.245 81 I C 2.729 178.983 176.117 0.229 0.000 1.102 81 I CA 1.074 62.465 61.300 0.152 0.000 1.385 81 I CB -0.293 37.708 38.000 0.001 0.000 1.064 81 I HN 0.227 nan 8.210 nan 0.000 0.414 82 R N 0.805 121.399 120.500 0.156 0.000 2.096 82 R HA -0.146 4.198 4.340 0.006 0.000 0.235 82 R C 2.315 178.700 176.300 0.141 0.000 1.127 82 R CA 1.803 57.995 56.100 0.153 0.000 0.968 82 R CB -0.081 30.294 30.300 0.124 0.000 0.861 82 R HN 0.194 nan 8.270 nan 0.000 0.440 83 S N 0.156 115.948 115.700 0.154 0.000 2.423 83 S HA -0.071 4.402 4.470 0.006 0.000 0.231 83 S C 1.815 176.538 174.600 0.205 0.000 1.014 83 S CA 0.969 59.256 58.200 0.144 0.000 0.965 83 S CB 0.046 63.379 63.200 0.221 0.000 0.785 83 S HN 0.558 nan 8.310 nan 0.000 0.495 84 A N 1.389 124.360 122.820 0.252 0.000 1.929 84 A HA 0.100 4.423 4.320 0.006 0.000 0.216 84 A C 2.000 179.748 177.584 0.273 0.000 1.176 84 A CA 0.765 52.947 52.037 0.243 0.000 0.628 84 A CB -0.517 18.611 19.000 0.213 0.000 0.816 84 A HN 0.473 nan 8.150 nan 0.000 0.444 85 I N -0.818 119.903 120.570 0.252 0.000 2.252 85 I HA -0.246 3.928 4.170 0.006 0.000 0.245 85 I C 2.746 179.025 176.117 0.269 0.000 1.102 85 I CA 1.136 62.576 61.300 0.233 0.000 1.385 85 I CB -0.378 37.760 38.000 0.230 0.000 1.064 85 I HN 0.289 nan 8.210 nan 0.000 0.414 86 R N 0.130 120.781 120.500 0.252 0.000 2.083 86 R HA -0.233 4.111 4.340 0.006 0.000 0.237 86 R C 2.270 178.687 176.300 0.195 0.000 1.137 86 R CA 2.016 58.237 56.100 0.201 0.000 0.951 86 R CB -0.594 29.625 30.300 -0.135 0.000 0.851 86 R HN 0.559 nan 8.270 nan 0.000 0.434 87 W N 2.272 123.603 121.300 0.053 0.000 2.333 87 W HA -0.203 4.461 4.660 0.006 0.000 0.316 87 W C 1.213 177.775 176.519 0.072 0.000 1.215 87 W CA 1.439 58.823 57.345 0.064 0.000 1.278 87 W CB -0.375 29.125 29.460 0.067 0.000 1.154 87 W HN 0.112 nan 8.180 nan 0.000 0.486 88 N N 0.869 119.709 118.700 0.233 0.000 2.289 88 N HA -0.141 4.602 4.740 0.006 0.000 0.184 88 N C 1.805 177.291 175.510 -0.040 0.000 1.016 88 N CA 1.913 55.044 53.050 0.134 0.000 0.872 88 N CB -0.886 37.723 38.487 0.204 0.000 0.973 88 N HN 0.219 nan 8.380 nan 0.000 0.433 89 A N 0.833 123.625 122.820 -0.047 0.000 1.898 89 A HA -0.011 4.312 4.320 0.006 0.000 0.216 89 A C 2.306 179.791 177.584 -0.165 0.000 1.181 89 A CA 0.786 52.738 52.037 -0.142 0.000 0.620 89 A CB -0.519 18.412 19.000 -0.115 0.000 0.819 89 A HN 0.187 nan 8.150 nan 0.000 0.442 90 I N -0.566 119.914 120.570 -0.149 0.000 2.315 90 I HA -0.231 3.943 4.170 0.006 0.000 0.248 90 I C 2.491 178.423 176.117 -0.307 0.000 1.117 90 I CA 0.887 62.068 61.300 -0.199 0.000 1.404 90 I CB -0.201 37.684 38.000 -0.193 0.000 1.071 90 I HN 0.244 nan 8.210 nan 0.000 0.419 91 M N -0.188 119.154 119.600 -0.431 0.000 2.159 91 M HA -0.155 4.329 4.480 0.006 0.000 0.263 91 M C 2.413 178.576 176.300 -0.229 0.000 1.063 91 M CA 1.805 56.848 55.300 -0.428 0.000 1.110 91 M CB -1.626 30.656 32.600 -0.530 0.000 1.374 91 M HN 0.204 nan 8.290 nan 0.000 0.411 92 T N 0.973 115.447 114.554 -0.133 0.000 2.684 92 T HA -0.090 4.264 4.350 0.006 0.000 0.267 92 T C 2.060 176.600 174.700 -0.267 0.000 1.036 92 T CA 1.526 63.522 62.100 -0.173 0.000 1.148 92 T CB -0.307 68.333 68.868 -0.380 0.000 0.863 92 T HN 0.166 nan 8.240 nan 0.000 0.436 93 V N 1.284 121.010 119.914 -0.313 0.000 2.453 93 V HA -0.037 4.086 4.120 0.006 0.000 0.247 93 V C 2.453 178.511 176.094 -0.059 0.000 1.048 93 V CA 1.225 63.424 62.300 -0.168 0.000 1.049 93 V CB -0.640 31.110 31.823 -0.122 0.000 0.672 93 V HN 0.421 nan 8.190 nan 0.000 0.457 94 L N -0.624 120.533 121.223 -0.110 0.000 2.056 94 L HA -0.117 4.227 4.340 0.006 0.000 0.207 94 L C 2.825 179.650 176.870 -0.075 0.000 1.078 94 L CA 1.485 56.269 54.840 -0.092 0.000 0.749 94 L CB -0.556 41.417 42.059 -0.144 0.000 0.901 94 L HN 0.223 nan 8.230 nan 0.000 0.433 95 R N -0.075 120.367 120.500 -0.097 0.000 2.096 95 R HA -0.143 4.201 4.340 0.006 0.000 0.235 95 R C 2.394 178.688 176.300 -0.010 0.000 1.127 95 R CA 1.319 57.376 56.100 -0.072 0.000 0.968 95 R CB -0.428 29.817 30.300 -0.092 0.000 0.861 95 R HN 0.352 nan 8.270 nan 0.000 0.440 96 A N 1.122 123.964 122.820 0.038 0.000 1.877 96 A HA -0.209 4.115 4.320 0.006 0.000 0.216 96 A C 2.280 179.893 177.584 0.048 0.000 1.186 96 A CA 1.998 54.090 52.037 0.092 0.000 0.620 96 A CB -0.657 18.495 19.000 0.254 0.000 0.822 96 A HN 0.452 nan 8.150 nan 0.000 0.443 97 S N 0.044 115.765 115.700 0.034 0.000 2.356 97 S HA -0.233 4.241 4.470 0.006 0.000 0.223 97 S C 1.865 176.466 174.600 0.002 0.000 1.032 97 S CA 1.645 59.854 58.200 0.015 0.000 1.005 97 S CB -0.539 62.665 63.200 0.006 0.000 0.867 97 S HN 0.556 nan 8.310 nan 0.000 0.449 98 K N 1.259 121.654 120.400 -0.009 0.000 2.293 98 K HA -0.116 4.207 4.320 0.006 0.000 0.204 98 K C 2.153 178.748 176.600 -0.008 0.000 1.045 98 K CA 1.567 57.846 56.287 -0.013 0.000 0.933 98 K CB -0.201 32.284 32.500 -0.025 0.000 0.736 98 K HN 0.521 nan 8.250 nan 0.000 0.463 99 K N 0.481 120.879 120.400 -0.002 0.000 2.283 99 K HA -0.135 4.188 4.320 0.006 0.000 0.202 99 K C 0.271 176.870 176.600 -0.002 0.000 1.048 99 K CA 0.844 57.131 56.287 -0.001 0.000 0.948 99 K CB -0.101 32.401 32.500 0.004 0.000 0.742 99 K HN 0.086 nan 8.250 nan 0.000 0.458 100 D N 0.176 120.575 120.400 -0.001 0.000 2.699 100 D HA -0.171 4.472 4.640 0.006 0.000 0.239 100 D C -0.363 175.935 176.300 -0.003 0.000 1.136 100 D CA 0.476 54.475 54.000 -0.002 0.000 0.668 100 D CB -1.077 39.722 40.800 -0.003 0.000 1.060 100 D HN 0.219 nan 8.370 nan 0.000 0.429 101 L N 0.440 121.660 121.223 -0.005 0.000 2.959 101 L HA 0.191 4.534 4.340 0.006 0.000 0.259 101 L C 0.689 177.550 176.870 -0.014 0.000 1.185 101 L CA -0.335 54.499 54.840 -0.009 0.000 0.998 101 L CB 0.270 42.322 42.059 -0.012 0.000 1.337 101 L HN 0.014 nan 8.230 nan 0.000 0.555 102 E N -0.053 120.141 120.200 -0.011 0.000 2.586 102 E HA -0.244 4.109 4.350 0.006 0.000 0.259 102 E C 1.075 177.661 176.600 -0.023 0.000 1.107 102 E CA 0.506 56.899 56.400 -0.012 0.000 0.754 102 E CB -1.891 27.803 29.700 -0.010 0.000 1.335 102 E HN 0.522 nan 8.360 nan 0.000 0.411 103 L N -0.761 120.446 121.223 -0.028 0.000 2.093 103 L HA -0.065 4.279 4.340 0.006 0.000 0.208 103 L C 1.625 178.458 176.870 -0.061 0.000 1.085 103 L CA 1.360 56.165 54.840 -0.059 0.000 0.755 103 L CB -0.563 41.459 42.059 -0.061 0.000 0.904 103 L HN 0.509 nan 8.230 nan 0.000 0.435 104 G N -0.796 107.992 108.800 -0.020 0.000 2.660 104 G HA2 0.196 4.159 3.960 0.006 0.000 0.215 104 G HA3 0.196 4.159 3.960 0.006 0.000 0.215 104 G C -0.044 174.880 174.900 0.041 0.000 1.345 104 G CA -0.401 44.685 45.100 -0.022 0.000 0.877 104 G HN 0.894 nan 8.290 nan 0.000 0.549 105 G N -1.811 106.975 108.800 -0.024 0.000 2.335 105 G HA2 0.549 4.513 3.960 0.006 0.000 0.592 105 G HA3 0.549 4.513 3.960 0.006 0.000 0.592 105 G C -0.978 173.872 174.900 -0.084 0.000 1.442 105 G CA 0.240 45.431 45.100 0.152 0.000 0.976 105 G HN 1.511 nan 8.290 nan 0.000 0.652 106 H N 0.504 119.729 119.070 0.258 0.000 2.621 106 H HA 0.708 5.268 4.556 0.006 0.000 0.360 106 H C 0.741 176.174 175.328 0.175 0.000 1.163 106 H CA -0.702 55.483 56.048 0.229 0.000 1.194 106 H CB 2.054 32.009 29.762 0.321 0.000 1.649 106 H HN 0.492 nan 8.280 nan 0.000 0.532 107 M N -0.026 119.752 119.600 0.297 0.000 2.227 107 M HA 0.157 4.640 4.480 0.006 0.000 0.226 107 M C 2.172 178.631 176.300 0.266 0.000 1.423 107 M CA 0.524 55.966 55.300 0.236 0.000 1.055 107 M CB 0.350 33.038 32.600 0.148 0.000 1.572 107 M HN 0.605 nan 8.290 nan 0.000 0.567 108 A N 0.263 123.236 122.820 0.254 0.000 1.908 108 A HA -0.175 4.149 4.320 0.006 0.000 0.218 108 A C 2.201 179.932 177.584 0.245 0.000 1.181 108 A CA 2.522 54.703 52.037 0.239 0.000 0.627 108 A CB -0.886 18.246 19.000 0.219 0.000 0.818 108 A HN 0.446 nan 8.150 nan 0.000 0.445 109 S N -1.587 114.275 115.700 0.270 0.000 2.348 109 S HA -0.159 4.314 4.470 0.006 0.000 0.221 109 S C 1.771 176.501 174.600 0.216 0.000 1.033 109 S CA 1.619 59.950 58.200 0.220 0.000 1.010 109 S CB -0.511 62.794 63.200 0.175 0.000 0.891 109 S HN 0.606 nan 8.310 nan 0.000 0.442 110 F N 2.399 122.410 119.950 0.101 0.000 2.216 110 F HA -0.022 4.508 4.527 0.006 0.000 0.300 110 F C 2.460 178.344 175.800 0.139 0.000 1.085 110 F CA 1.560 59.619 58.000 0.098 0.000 1.326 110 F CB -0.566 38.464 39.000 0.051 0.000 1.027 110 F HN 0.223 nan 8.300 nan 0.000 0.497 111 Q N 0.166 120.012 119.800 0.076 0.000 2.170 111 Q HA -0.170 4.173 4.340 0.006 0.000 0.203 111 Q C 2.584 178.642 176.000 0.096 0.000 0.976 111 Q CA 1.795 57.624 55.803 0.042 0.000 0.858 111 Q CB -0.731 28.139 28.738 0.220 0.000 0.907 111 Q HN 0.600 nan 8.270 nan 0.000 0.433 112 S N -0.294 115.477 115.700 0.119 0.000 2.414 112 S HA -0.055 4.419 4.470 0.006 0.000 0.227 112 S C 1.916 176.470 174.600 -0.076 0.000 1.022 112 S CA 1.147 59.414 58.200 0.112 0.000 0.958 112 S CB -0.105 63.166 63.200 0.118 0.000 0.797 112 S HN 0.322 nan 8.310 nan 0.000 0.493 113 S N 0.606 116.272 115.700 -0.058 0.000 2.539 113 S HA 0.598 5.071 4.470 0.006 0.000 0.221 113 S C 1.816 176.389 174.600 -0.046 0.000 0.987 113 S CA 0.175 58.353 58.200 -0.037 0.000 0.929 113 S CB -0.018 63.276 63.200 0.157 0.000 0.832 113 S HN 0.658 nan 8.310 nan 0.000 0.492 114 A N 2.570 125.174 122.820 -0.360 0.000 1.903 114 A HA -0.146 4.178 4.320 0.006 0.000 0.219 114 A C 2.303 179.855 177.584 -0.053 0.000 1.191 114 A CA 2.502 54.233 52.037 -0.510 0.000 0.638 114 A CB -1.806 16.686 19.000 -0.847 0.000 0.823 114 A HN 0.555 nan 8.150 nan 0.000 0.451 115 T N 0.060 114.579 114.554 -0.058 0.000 2.915 115 T HA -0.013 4.341 4.350 0.006 0.000 0.269 115 T C 1.741 176.469 174.700 0.047 0.000 1.071 115 T CA 1.290 63.405 62.100 0.024 0.000 1.132 115 T CB -0.376 68.495 68.868 0.004 0.000 0.878 115 T HN 0.470 nan 8.240 nan 0.000 0.479 116 I N -0.205 120.360 120.570 -0.008 0.000 2.163 116 I HA -0.154 4.020 4.170 0.006 0.000 0.240 116 I C 2.126 178.185 176.117 -0.096 0.000 1.081 116 I CA 1.518 62.811 61.300 -0.012 0.000 1.353 116 I CB -0.447 37.536 38.000 -0.028 0.000 1.054 116 I HN 0.190 nan 8.210 nan 0.000 0.407 117 Y N 0.936 121.251 120.300 0.025 0.000 2.181 117 Y HA -0.290 4.263 4.550 0.006 0.000 0.288 117 Y C 2.330 178.292 175.900 0.103 0.000 1.146 117 Y CA 1.829 59.928 58.100 -0.001 0.000 1.164 117 Y CB -0.657 37.959 38.460 0.259 0.000 0.982 117 Y HN 0.213 nan 8.280 nan 0.000 0.515 118 D N -0.413 120.195 120.400 0.346 0.000 2.092 118 D HA -0.177 4.467 4.640 0.006 0.000 0.193 118 D C 2.219 178.655 176.300 0.227 0.000 0.994 118 D CA 1.475 55.667 54.000 0.320 0.000 0.828 118 D CB -0.222 40.723 40.800 0.243 0.000 0.963 118 D HN 0.070 nan 8.370 nan 0.000 0.450 119 V N -0.241 119.783 119.914 0.182 0.000 2.392 119 V HA -0.305 3.819 4.120 0.006 0.000 0.249 119 V C 2.686 178.841 176.094 0.101 0.000 1.059 119 V CA 1.514 63.986 62.300 0.286 0.000 1.051 119 V CB -0.420 31.602 31.823 0.332 0.000 0.658 119 V HN 0.467 nan 8.190 nan 0.000 0.455 120 C N -0.858 118.230 119.300 -0.353 0.000 2.453 120 C HA -0.121 4.342 4.460 0.006 0.000 0.277 120 C C 2.481 177.017 174.990 -0.756 0.000 1.262 120 C CA 0.735 59.193 59.018 -0.932 0.000 1.718 120 C CB -1.186 25.342 27.740 -2.020 0.000 2.031 120 C HN 0.543 nan 8.230 nan 0.000 0.480 121 F N 1.634 121.391 119.950 -0.321 0.000 2.186 121 F HA -0.071 4.460 4.527 0.006 0.000 0.299 121 F C 2.315 178.060 175.800 -0.092 0.000 1.090 121 F CA 1.323 59.307 58.000 -0.028 0.000 1.307 121 F CB -0.572 38.499 39.000 0.119 0.000 1.019 121 F HN 0.291 nan 8.300 nan 0.000 0.489 122 N N -1.468 117.244 118.700 0.020 0.000 2.376 122 N HA -0.078 4.666 4.740 0.006 0.000 0.177 122 N C 1.201 176.273 175.510 -0.730 0.000 1.024 122 N CA 1.051 53.917 53.050 -0.307 0.000 0.893 122 N CB -0.124 38.183 38.487 -0.299 0.000 0.980 122 N HN 0.398 nan 8.380 nan 0.000 0.439 123 H N -2.744 116.264 119.070 -0.102 0.000 3.622 123 H HA 0.223 4.783 4.556 0.006 0.000 0.259 123 H C 0.537 175.447 175.328 -0.696 0.000 1.145 123 H CA -0.011 55.819 56.048 -0.365 0.000 1.178 123 H CB 0.527 30.060 29.762 -0.382 0.000 1.542 123 H HN 0.099 nan 8.280 nan 0.000 0.586 124 F N -0.290 119.595 119.950 -0.109 0.000 2.531 124 F HA 0.189 4.720 4.527 0.006 0.000 0.273 124 F C 0.434 176.275 175.800 0.069 0.000 0.960 124 F CA -0.380 57.569 58.000 -0.084 0.000 1.207 124 F CB 0.078 38.923 39.000 -0.259 0.000 1.012 124 F HN -0.181 nan 8.300 nan 0.000 0.738 125 F N 3.562 123.549 119.950 0.062 0.000 2.546 125 F HA 0.146 4.677 4.527 0.006 0.000 0.388 125 F C 0.752 176.604 175.800 0.086 0.000 1.051 125 F CA -0.509 57.507 58.000 0.026 0.000 1.130 125 F CB -0.542 38.373 39.000 -0.142 0.000 1.044 125 F HN -0.222 nan 8.300 nan 0.000 0.553 126 R N 2.413 123.105 120.500 0.320 0.000 2.265 126 R HA 0.605 4.948 4.340 0.006 0.000 0.314 126 R C 0.156 176.558 176.300 0.170 0.000 1.053 126 R CA -0.575 55.663 56.100 0.231 0.000 0.931 126 R CB 0.951 31.385 30.300 0.222 0.000 1.024 126 R HN 0.695 nan 8.270 nan 0.000 0.457 127 A N 2.943 125.852 122.820 0.149 0.000 2.272 127 A HA 0.252 4.575 4.320 0.006 0.000 0.275 127 A C 0.121 177.731 177.584 0.044 0.000 1.096 127 A CA -0.572 51.521 52.037 0.092 0.000 0.822 127 A CB 0.392 19.434 19.000 0.069 0.000 1.088 127 A HN 0.828 nan 8.150 nan 0.000 0.495 128 R N 0.327 120.838 120.500 0.020 0.000 2.585 128 R HA 0.116 4.459 4.340 0.006 0.000 0.275 128 R C -0.074 176.196 176.300 -0.050 0.000 1.018 128 R CA 1.092 57.184 56.100 -0.014 0.000 1.072 128 R CB -0.083 30.213 30.300 -0.005 0.000 0.953 128 R HN 0.984 nan 8.270 nan 0.000 0.419 129 N N -0.032 118.596 118.700 -0.121 0.000 3.278 129 N HA 0.051 4.794 4.740 0.006 0.000 0.307 129 N C -0.148 175.289 175.510 -0.121 0.000 1.551 129 N CA -0.928 52.005 53.050 -0.195 0.000 0.794 129 N CB 0.684 38.792 38.487 -0.631 0.000 1.770 129 N HN 0.614 nan 8.380 nan 0.000 0.612 130 E N -1.186 118.953 120.200 -0.102 0.000 2.204 130 E HA -0.186 4.167 4.350 0.006 0.000 0.194 130 E C 0.814 177.387 176.600 -0.046 0.000 0.989 130 E CA 1.253 57.627 56.400 -0.043 0.000 0.824 130 E CB 0.125 29.818 29.700 -0.012 0.000 0.756 130 E HN 0.483 nan 8.360 nan 0.000 0.477 131 Q N 0.578 120.328 119.800 -0.083 0.000 2.123 131 Q HA 0.032 4.376 4.340 0.006 0.000 0.196 131 Q C 0.284 176.256 176.000 -0.047 0.000 0.958 131 Q CA 1.289 57.058 55.803 -0.057 0.000 0.841 131 Q CB 0.134 28.836 28.738 -0.060 0.000 0.915 131 Q HN 0.432 nan 8.270 nan 0.000 0.455 132 D N -3.293 117.067 120.400 -0.066 0.000 2.677 132 D HA 0.315 4.959 4.640 0.006 0.000 0.298 132 D C 0.536 176.817 176.300 -0.030 0.000 1.250 132 D CA -0.354 53.626 54.000 -0.033 0.000 0.888 132 D CB 0.014 40.801 40.800 -0.023 0.000 1.397 132 D HN -0.065 nan 8.370 nan 0.000 0.461 133 G N -1.278 107.524 108.800 0.003 0.000 2.776 133 G HA2 0.414 4.378 3.960 0.006 0.000 0.209 133 G HA3 0.414 4.378 3.960 0.006 0.000 0.209 133 G C 0.993 175.906 174.900 0.021 0.000 1.145 133 G CA 0.457 45.566 45.100 0.015 0.000 0.791 133 G HN 1.119 nan 8.290 nan 0.000 0.530 134 G N 0.018 108.825 108.800 0.012 0.000 2.693 134 G HA2 -0.211 3.753 3.960 0.006 0.000 0.226 134 G HA3 -0.211 3.753 3.960 0.006 0.000 0.226 134 G C -0.764 174.186 174.900 0.083 0.000 1.354 134 G CA -0.281 44.844 45.100 0.041 0.000 0.873 134 G HN 0.255 nan 8.290 nan 0.000 0.562 135 D N 0.506 120.977 120.400 0.120 0.000 2.389 135 D HA 0.413 5.056 4.640 0.006 0.000 0.247 135 D C 0.769 177.139 176.300 0.117 0.000 1.128 135 D CA 0.154 54.247 54.000 0.156 0.000 0.884 135 D CB 0.829 41.806 40.800 0.296 0.000 1.194 135 D HN 0.474 nan 8.370 nan 0.000 0.441 136 L N 2.338 123.649 121.223 0.147 0.000 2.270 136 L HA 0.259 4.603 4.340 0.006 0.000 0.286 136 L C -0.360 176.597 176.870 0.146 0.000 1.059 136 L CA -0.777 54.181 54.840 0.197 0.000 0.839 136 L CB 0.688 42.853 42.059 0.177 0.000 1.221 136 L HN -0.038 nan 8.230 nan 0.000 0.431 137 V N 3.327 123.259 119.914 0.030 0.000 2.370 137 V HA 0.189 4.313 4.120 0.006 0.000 0.279 137 V C -0.468 175.547 176.094 -0.132 0.000 1.029 137 V CA -0.493 61.690 62.300 -0.196 0.000 0.870 137 V CB 0.932 32.150 31.823 -1.007 0.000 0.984 137 V HN 0.384 nan 8.190 nan 0.000 0.451 138 Y N 4.862 125.137 120.300 -0.042 0.000 2.691 138 Y HA 0.450 5.003 4.550 0.006 0.000 0.338 138 Y C 0.262 176.251 175.900 0.149 0.000 1.148 138 Y CA -1.027 57.127 58.100 0.091 0.000 1.430 138 Y CB -0.213 38.242 38.460 -0.008 0.000 1.303 138 Y HN 0.501 nan 8.280 nan 0.000 0.499 139 F N 1.078 121.228 119.950 0.333 0.000 2.572 139 F HA 0.020 4.550 4.527 0.006 0.000 0.370 139 F C 1.046 176.970 175.800 0.207 0.000 1.103 139 F CA -0.207 57.949 58.000 0.261 0.000 1.286 139 F CB 0.478 39.570 39.000 0.154 0.000 1.105 139 F HN 0.351 nan 8.300 nan 0.000 0.583 140 Q N 2.380 122.435 119.800 0.424 0.000 2.274 140 Q HA 0.088 4.431 4.340 0.006 0.000 0.280 140 Q C 1.347 177.409 176.000 0.103 0.000 1.047 140 Q CA 0.319 56.264 55.803 0.237 0.000 0.907 140 Q CB 1.079 29.941 28.738 0.207 0.000 1.171 140 Q HN 0.965 nan 8.270 nan 0.000 0.381 141 G N 3.728 112.563 108.800 0.058 0.000 2.529 141 G HA2 -0.321 3.642 3.960 0.006 0.000 0.219 141 G HA3 -0.321 3.642 3.960 0.006 0.000 0.219 141 G C 0.905 175.845 174.900 0.067 0.000 1.177 141 G CA 1.144 46.221 45.100 -0.038 0.000 0.773 141 G HN 0.969 nan 8.290 nan 0.000 0.573 142 H N 0.585 119.614 119.070 -0.069 0.000 2.556 142 H HA 0.147 4.706 4.556 0.006 0.000 0.273 142 H C 1.579 176.968 175.328 0.100 0.000 1.030 142 H CA 0.503 56.571 56.048 0.034 0.000 1.156 142 H CB -0.487 29.028 29.762 -0.412 0.000 1.326 142 H HN 0.552 nan 8.280 nan 0.000 0.609 143 I N -1.016 119.499 120.570 -0.092 0.000 3.904 143 I HA 0.190 4.363 4.170 0.006 0.000 0.333 143 I C 1.789 177.790 176.117 -0.194 0.000 1.361 143 I CA -0.109 61.159 61.300 -0.054 0.000 1.116 143 I CB 0.052 38.093 38.000 0.068 0.000 1.028 143 I HN 0.067 nan 8.210 nan 0.000 0.398 144 S N 1.124 116.762 115.700 -0.103 0.000 2.402 144 S HA -0.020 4.454 4.470 0.006 0.000 0.233 144 S C -0.421 173.958 174.600 -0.368 0.000 1.030 144 S CA 1.002 59.074 58.200 -0.213 0.000 1.003 144 S CB -1.953 61.164 63.200 -0.138 0.000 0.813 144 S HN 0.361 nan 8.310 nan 0.000 0.477 145 P HA 0.032 nan 4.420 nan 0.000 0.216 145 P C 1.872 178.885 177.300 -0.478 0.000 1.150 145 P CA 1.598 64.540 63.100 -0.263 0.000 0.837 145 P CB -0.678 30.844 31.700 -0.297 0.000 0.786 146 G N -0.522 107.711 108.800 -0.946 0.000 2.408 146 G HA2 -0.198 3.766 3.960 0.006 0.000 0.217 146 G HA3 -0.198 3.766 3.960 0.006 0.000 0.217 146 G C 1.600 176.038 174.900 -0.769 0.000 1.150 146 G CA 0.535 44.677 45.100 -1.596 0.000 0.776 146 G HN 0.144 nan 8.290 nan 0.000 0.542 147 V N 0.042 119.588 119.914 -0.613 0.000 2.358 147 V HA -0.164 3.960 4.120 0.006 0.000 0.246 147 V C 2.452 178.387 176.094 -0.264 0.000 1.047 147 V CA 1.337 63.369 62.300 -0.448 0.000 1.035 147 V CB -0.693 30.835 31.823 -0.492 0.000 0.658 147 V HN 0.385 nan 8.190 nan 0.000 0.452 148 Y N 0.755 120.942 120.300 -0.187 0.000 2.224 148 Y HA -0.119 4.434 4.550 0.006 0.000 0.289 148 Y C 2.526 178.314 175.900 -0.187 0.000 1.146 148 Y CA 0.759 58.744 58.100 -0.193 0.000 1.182 148 Y CB -1.300 37.047 38.460 -0.188 0.000 0.983 148 Y HN 0.200 nan 8.280 nan 0.000 0.524 149 A N 0.211 122.990 122.820 -0.069 0.000 1.902 149 A HA -0.220 4.104 4.320 0.006 0.000 0.217 149 A C 2.405 180.004 177.584 0.026 0.000 1.181 149 A CA 1.847 53.861 52.037 -0.039 0.000 0.623 149 A CB -0.701 18.250 19.000 -0.081 0.000 0.818 149 A HN 0.429 nan 8.150 nan 0.000 0.443 150 R N -0.364 120.087 120.500 -0.082 0.000 2.075 150 R HA -0.038 4.305 4.340 0.006 0.000 0.232 150 R C 2.247 178.477 176.300 -0.117 0.000 1.126 150 R CA 1.425 57.446 56.100 -0.132 0.000 0.963 150 R CB -0.433 29.662 30.300 -0.342 0.000 0.858 150 R HN 0.396 nan 8.270 nan 0.000 0.435 151 A N 0.679 123.455 122.820 -0.073 0.000 1.902 151 A HA -0.198 4.125 4.320 0.006 0.000 0.217 151 A C 1.985 179.556 177.584 -0.022 0.000 1.181 151 A CA 1.367 53.392 52.037 -0.020 0.000 0.623 151 A CB -0.842 18.224 19.000 0.111 0.000 0.818 151 A HN 0.566 nan 8.150 nan 0.000 0.443 152 F N 0.085 119.951 119.950 -0.141 0.000 2.134 152 F HA -0.142 4.388 4.527 0.006 0.000 0.299 152 F C 1.769 177.505 175.800 -0.107 0.000 1.097 152 F CA 1.639 59.542 58.000 -0.161 0.000 1.264 152 F CB -0.390 38.473 39.000 -0.229 0.000 1.001 152 F HN 0.158 nan 8.300 nan 0.000 0.479 153 L N 0.870 121.994 121.223 -0.164 0.000 2.083 153 L HA -0.170 4.174 4.340 0.006 0.000 0.209 153 L C 2.070 178.824 176.870 -0.192 0.000 1.083 153 L CA 1.798 56.515 54.840 -0.206 0.000 0.752 153 L CB -0.964 41.098 42.059 0.004 0.000 0.899 153 L HN 0.240 nan 8.230 nan 0.000 0.433 154 E N -0.993 119.083 120.200 -0.206 0.000 2.511 154 E HA 0.107 4.460 4.350 0.006 0.000 0.196 154 E C 1.290 177.805 176.600 -0.142 0.000 1.066 154 E CA 0.524 56.780 56.400 -0.240 0.000 0.871 154 E CB -0.170 29.328 29.700 -0.336 0.000 0.863 154 E HN 0.535 nan 8.360 nan 0.000 0.520 155 G N 1.891 110.577 108.800 -0.190 0.000 2.143 155 G HA2 -0.349 3.615 3.960 0.006 0.000 0.248 155 G HA3 -0.349 3.615 3.960 0.006 0.000 0.248 155 G C 0.856 175.663 174.900 -0.155 0.000 0.991 155 G CA 0.394 45.388 45.100 -0.176 0.000 0.689 155 G HN 0.267 nan 8.290 nan 0.000 0.522 156 R N -1.012 119.394 120.500 -0.156 0.000 2.246 156 R HA 0.359 4.703 4.340 0.006 0.000 0.199 156 R C 0.926 177.179 176.300 -0.078 0.000 0.984 156 R CA 0.587 56.621 56.100 -0.109 0.000 1.015 156 R CB 0.266 30.517 30.300 -0.082 0.000 0.930 156 R HN 0.454 nan 8.270 nan 0.000 0.475 157 L N -0.002 121.184 121.223 -0.062 0.000 2.350 157 L HA 0.352 4.695 4.340 0.006 0.000 0.260 157 L C 0.204 177.111 176.870 0.061 0.000 1.015 157 L CA -0.975 53.831 54.840 -0.056 0.000 0.821 157 L CB 2.242 44.232 42.059 -0.115 0.000 1.370 157 L HN -0.041 nan 8.230 nan 0.000 0.416 158 T N -3.122 111.448 114.554 0.026 0.000 2.897 158 T HA 0.186 4.540 4.350 0.006 0.000 0.278 158 T C 0.549 175.283 174.700 0.056 0.000 0.981 158 T CA -0.470 61.684 62.100 0.089 0.000 0.973 158 T CB 1.726 70.602 68.868 0.014 0.000 1.092 158 T HN 0.721 nan 8.240 nan 0.000 0.543 159 Q N -0.082 119.777 119.800 0.098 0.000 2.119 159 Q HA -0.171 4.172 4.340 0.006 0.000 0.201 159 Q C 2.118 178.046 176.000 -0.120 0.000 0.972 159 Q CA 1.881 57.600 55.803 -0.139 0.000 0.847 159 Q CB -0.188 28.606 28.738 0.093 0.000 0.903 159 Q HN 0.919 nan 8.270 nan 0.000 0.433 160 E N -0.069 120.108 120.200 -0.038 0.000 2.110 160 E HA -0.258 4.096 4.350 0.006 0.000 0.193 160 E C 1.969 178.524 176.600 -0.074 0.000 0.988 160 E CA 1.382 57.762 56.400 -0.033 0.000 0.804 160 E CB 0.034 29.723 29.700 -0.018 0.000 0.745 160 E HN 0.492 nan 8.360 nan 0.000 0.458 161 Q N 0.147 119.875 119.800 -0.119 0.000 2.079 161 Q HA -0.114 4.230 4.340 0.006 0.000 0.200 161 Q C 2.451 178.321 176.000 -0.216 0.000 0.974 161 Q CA 1.308 57.010 55.803 -0.168 0.000 0.840 161 Q CB -0.034 28.582 28.738 -0.204 0.000 0.898 161 Q HN 0.390 nan 8.270 nan 0.000 0.430 162 L N 0.821 121.860 121.223 -0.306 0.000 2.083 162 L HA -0.200 4.144 4.340 0.006 0.000 0.209 162 L C 1.563 178.365 176.870 -0.113 0.000 1.083 162 L CA 0.855 55.480 54.840 -0.359 0.000 0.752 162 L CB -0.321 41.241 42.059 -0.828 0.000 0.899 162 L HN 0.208 nan 8.230 nan 0.000 0.433 163 D N -0.151 120.224 120.400 -0.042 0.000 2.350 163 D HA -0.100 4.543 4.640 0.006 0.000 0.216 163 D C 0.997 177.312 176.300 0.026 0.000 0.968 163 D CA 0.765 54.793 54.000 0.046 0.000 0.894 163 D CB -0.093 40.740 40.800 0.055 0.000 0.909 163 D HN 0.278 nan 8.370 nan 0.000 0.520 164 N N 0.224 118.919 118.700 -0.009 0.000 2.273 164 N HA 0.004 4.747 4.740 0.006 0.000 0.231 164 N C -0.210 175.287 175.510 -0.022 0.000 1.134 164 N CA -0.357 52.683 53.050 -0.016 0.000 0.856 164 N CB 0.001 38.462 38.487 -0.042 0.000 1.068 164 N HN 0.081 nan 8.380 nan 0.000 0.510 165 F N 2.337 122.197 119.950 -0.151 0.000 2.608 165 F HA 0.017 4.548 4.527 0.006 0.000 0.380 165 F C 1.224 176.962 175.800 -0.104 0.000 1.083 165 F CA 0.217 58.117 58.000 -0.166 0.000 1.266 165 F CB 0.320 39.244 39.000 -0.127 0.000 1.076 165 F HN 0.147 nan 8.300 nan 0.000 0.574 166 R N 2.740 122.827 120.500 -0.688 0.000 3.770 166 R HA -0.228 4.116 4.340 0.006 0.000 0.305 166 R C -0.699 175.439 176.300 -0.271 0.000 1.184 166 R CA 1.090 56.847 56.100 -0.571 0.000 0.823 166 R CB -1.793 28.061 30.300 -0.744 0.000 1.285 166 R HN 0.793 nan 8.270 nan 0.000 0.499 167 Q N -0.143 119.545 119.800 -0.187 0.000 3.090 167 Q HA 0.118 4.461 4.340 0.006 0.000 0.241 167 Q C -0.172 175.759 176.000 -0.115 0.000 0.958 167 Q CA -0.237 55.491 55.803 -0.124 0.000 0.715 167 Q CB 1.217 29.917 28.738 -0.064 0.000 1.298 167 Q HN 0.318 nan 8.270 nan 0.000 0.468 168 E N 0.020 120.143 120.200 -0.130 0.000 2.364 168 E HA -0.021 4.332 4.350 0.006 0.000 0.196 168 E C 1.567 178.095 176.600 -0.120 0.000 0.990 168 E CA 0.246 56.584 56.400 -0.103 0.000 0.886 168 E CB 0.557 30.213 29.700 -0.074 0.000 0.866 168 E HN 0.178 nan 8.360 nan 0.000 0.493 169 V N 2.050 121.842 119.914 -0.203 0.000 2.317 169 V HA -0.282 3.842 4.120 0.006 0.000 0.251 169 V C 1.881 177.838 176.094 -0.228 0.000 1.065 169 V CA 1.923 64.069 62.300 -0.256 0.000 1.049 169 V CB -0.672 30.922 31.823 -0.382 0.000 0.651 169 V HN 0.411 nan 8.190 nan 0.000 0.450 170 H N -0.277 118.775 119.070 -0.029 0.000 2.555 170 H HA 0.202 4.761 4.556 0.006 0.000 0.269 170 H C 2.024 177.336 175.328 -0.026 0.000 0.988 170 H CA 0.907 56.940 56.048 -0.026 0.000 1.178 170 H CB 0.029 29.775 29.762 -0.027 0.000 1.373 170 H HN 0.561 nan 8.280 nan 0.000 0.588 171 G N 0.823 109.650 108.800 0.046 0.000 2.195 171 G HA2 -0.269 3.694 3.960 0.006 0.000 0.224 171 G HA3 -0.269 3.694 3.960 0.006 0.000 0.224 171 G C 0.609 175.508 174.900 -0.002 0.000 0.990 171 G CA 0.183 45.294 45.100 0.019 0.000 0.639 171 G HN 0.510 nan 8.290 nan 0.000 0.514 172 N N 0.381 119.079 118.700 -0.004 0.000 2.497 172 N HA 0.417 5.160 4.740 0.006 0.000 0.284 172 N C 0.800 176.270 175.510 -0.067 0.000 1.459 172 N CA 0.545 53.573 53.050 -0.036 0.000 0.899 172 N CB 0.286 38.758 38.487 -0.026 0.000 1.316 172 N HN 0.506 nan 8.380 nan 0.000 0.500 173 G N 0.203 108.957 108.800 -0.076 0.000 2.887 173 G HA2 0.664 4.627 3.960 0.006 0.000 0.277 173 G HA3 0.664 4.627 3.960 0.006 0.000 0.277 173 G C -0.928 173.872 174.900 -0.167 0.000 1.346 173 G CA -0.458 44.574 45.100 -0.114 0.000 1.058 173 G HN 0.115 nan 8.290 nan 0.000 0.535 174 L N 0.292 121.389 121.223 -0.211 0.000 2.365 174 L HA 0.424 4.768 4.340 0.006 0.000 0.273 174 L C 0.134 176.929 176.870 -0.125 0.000 1.000 174 L CA -0.788 53.888 54.840 -0.273 0.000 0.819 174 L CB 2.279 43.929 42.059 -0.682 0.000 1.284 174 L HN 0.410 nan 8.230 nan 0.000 0.418 175 S N -0.044 115.712 115.700 0.094 0.000 2.585 175 S HA 0.055 4.529 4.470 0.006 0.000 0.273 175 S C 1.231 175.860 174.600 0.049 0.000 1.339 175 S CA -0.239 58.029 58.200 0.112 0.000 1.028 175 S CB 1.496 64.870 63.200 0.290 0.000 0.906 175 S HN 0.833 nan 8.310 nan 0.000 0.528 176 S N 0.800 116.363 115.700 -0.229 0.000 2.370 176 S HA -0.091 4.383 4.470 0.006 0.000 0.226 176 S C 0.062 174.326 174.600 -0.560 0.000 1.033 176 S CA 1.086 58.928 58.200 -0.596 0.000 1.011 176 S CB -0.529 62.104 63.200 -0.945 0.000 0.852 176 S HN 0.694 nan 8.310 nan 0.000 0.457 177 Y N 0.377 120.619 120.300 -0.097 0.000 2.698 177 Y HA 0.595 5.148 4.550 0.006 0.000 0.332 177 Y C -3.029 172.224 175.900 -1.077 0.000 1.119 177 Y CA -3.211 54.597 58.100 -0.486 0.000 1.109 177 Y CB -0.041 38.164 38.460 -0.425 0.000 1.308 177 Y HN -0.192 nan 8.280 nan 0.000 0.499 178 P HA 0.134 nan 4.420 nan 0.000 0.269 178 P C -1.092 175.718 177.300 -0.817 0.000 1.263 178 P CA 0.648 62.751 63.100 -1.661 0.000 0.813 178 P CB -0.032 30.987 31.700 -1.135 0.000 0.868 179 H N 4.587 123.541 119.070 -0.193 0.000 2.854 179 H HA 0.194 4.754 4.556 0.006 0.000 0.275 179 H C -1.955 173.479 175.328 0.177 0.000 1.198 179 H CA -2.021 54.059 56.048 0.053 0.000 1.489 179 H CB 1.231 31.037 29.762 0.073 0.000 1.519 179 H HN 0.227 nan 8.280 nan 0.000 0.503 180 P HA -0.216 nan 4.420 nan 0.000 0.216 180 P C 1.824 179.220 177.300 0.160 0.000 1.150 180 P CA 1.386 64.607 63.100 0.201 0.000 0.843 180 P CB 0.658 32.415 31.700 0.095 0.000 0.787 181 K N 0.000 120.477 120.400 0.127 0.000 2.097 181 K HA -0.102 4.221 4.320 0.006 0.000 0.206 181 K C 1.832 178.482 176.600 0.083 0.000 1.049 181 K CA 1.487 57.816 56.287 0.070 0.000 0.933 181 K CB -1.060 31.442 32.500 0.003 0.000 0.717 181 K HN 0.097 nan 8.250 nan 0.000 0.442 182 L N -0.899 120.406 121.223 0.136 0.000 2.209 182 L HA 0.159 4.503 4.340 0.006 0.000 0.207 182 L C 0.835 177.797 176.870 0.154 0.000 1.094 182 L CA 0.494 55.413 54.840 0.131 0.000 0.790 182 L CB -0.008 42.147 42.059 0.161 0.000 0.932 182 L HN 0.111 nan 8.230 nan 0.000 0.447 183 M N 0.624 120.363 119.600 0.232 0.000 2.389 183 M HA 0.217 4.700 4.480 0.006 0.000 0.206 183 M C -1.848 174.578 176.300 0.211 0.000 0.976 183 M CA -1.185 54.245 55.300 0.217 0.000 0.648 183 M CB 1.736 34.522 32.600 0.309 0.000 1.474 183 M HN -0.243 nan 8.290 nan 0.000 0.398 184 P HA -0.158 nan 4.420 nan 0.000 0.223 184 P C 0.228 177.576 177.300 0.081 0.000 1.144 184 P CA 1.414 64.574 63.100 0.101 0.000 0.783 184 P CB 0.250 31.993 31.700 0.072 0.000 0.771 185 E N -3.046 117.211 120.200 0.095 0.000 2.538 185 E HA 0.131 4.484 4.350 0.006 0.000 0.207 185 E C 0.840 177.501 176.600 0.102 0.000 1.002 185 E CA -0.220 56.224 56.400 0.074 0.000 0.952 185 E CB 0.114 29.852 29.700 0.063 0.000 1.031 185 E HN 0.232 nan 8.360 nan 0.000 0.476 186 F N -0.558 119.346 119.950 -0.077 0.000 2.495 186 F HA 0.254 4.784 4.527 0.006 0.000 0.271 186 F C -0.163 175.513 175.800 -0.206 0.000 0.889 186 F CA -0.205 57.670 58.000 -0.208 0.000 1.129 186 F CB 0.361 39.154 39.000 -0.346 0.000 1.169 186 F HN -0.141 nan 8.300 nan 0.000 0.781 187 W N 2.095 123.488 121.300 0.155 0.000 2.237 187 W HA 0.345 5.009 4.660 0.006 0.000 0.335 187 W C 1.033 177.455 176.519 -0.162 0.000 1.230 187 W CA -0.169 57.173 57.345 -0.005 0.000 1.253 187 W CB 0.850 30.381 29.460 0.118 0.000 1.129 187 W HN 0.125 nan 8.180 nan 0.000 0.590 188 Q N 0.589 120.386 119.800 -0.005 0.000 2.471 188 Q HA 0.168 4.511 4.340 0.006 0.000 0.259 188 Q C -0.646 174.869 176.000 -0.808 0.000 0.850 188 Q CA 0.303 55.760 55.803 -0.577 0.000 0.981 188 Q CB 0.717 28.805 28.738 -1.082 0.000 1.180 188 Q HN 0.296 nan 8.270 nan 0.000 0.571 189 F N 2.194 122.132 119.950 -0.021 0.000 2.499 189 F HA 0.379 4.909 4.527 0.006 0.000 0.333 189 F C -2.386 173.402 175.800 -0.019 0.000 1.138 189 F CA -3.067 54.865 58.000 -0.114 0.000 0.945 189 F CB 1.418 40.094 39.000 -0.540 0.000 1.181 189 F HN -0.166 nan 8.300 nan 0.000 0.435 190 P HA 0.151 nan 4.420 nan 0.000 0.280 190 P C 0.334 177.734 177.300 0.167 0.000 1.300 190 P CA -0.117 63.068 63.100 0.142 0.000 0.785 190 P CB 1.110 32.941 31.700 0.220 0.000 0.874 191 T N -1.541 113.064 114.554 0.085 0.000 3.004 191 T HA 0.062 4.415 4.350 0.006 0.000 0.266 191 T C 1.314 176.028 174.700 0.023 0.000 0.986 191 T CA 0.074 62.238 62.100 0.108 0.000 0.902 191 T CB -0.453 68.507 68.868 0.153 0.000 1.118 191 T HN 0.017 nan 8.240 nan 0.000 0.522 192 V N 1.636 121.510 119.914 -0.068 0.000 2.913 192 V HA 0.053 4.177 4.120 0.006 0.000 0.260 192 V C 1.640 177.668 176.094 -0.111 0.000 1.098 192 V CA 1.084 63.268 62.300 -0.194 0.000 1.121 192 V CB -0.688 30.819 31.823 -0.526 0.000 0.714 192 V HN 0.559 nan 8.190 nan 0.000 0.487 193 S N 2.416 118.116 115.700 0.000 0.000 2.485 193 S HA 0.324 4.798 4.470 0.006 0.000 0.312 193 S C 0.358 174.967 174.600 0.016 0.000 1.102 193 S CA -0.579 57.633 58.200 0.020 0.000 1.066 193 S CB -0.433 62.816 63.200 0.082 0.000 1.102 193 S HN 0.343 nan 8.310 nan 0.000 0.519 194 M N 3.645 123.237 119.600 -0.013 0.000 2.235 194 M HA 0.097 4.580 4.480 0.006 0.000 0.336 194 M C 1.723 178.026 176.300 0.005 0.000 1.146 194 M CA 1.374 56.671 55.300 -0.006 0.000 1.018 194 M CB -0.812 31.776 32.600 -0.020 0.000 1.694 194 M HN 0.939 nan 8.290 nan 0.000 0.451 195 G N 1.419 110.220 108.800 0.001 0.000 2.299 195 G HA2 -0.256 3.707 3.960 0.006 0.000 0.237 195 G HA3 -0.256 3.707 3.960 0.006 0.000 0.237 195 G C 0.513 175.422 174.900 0.014 0.000 1.027 195 G CA 0.196 45.297 45.100 0.002 0.000 0.619 195 G HN 0.548 nan 8.290 nan 0.000 0.513 196 L N 1.962 123.206 121.223 0.035 0.000 2.109 196 L HA 0.280 4.624 4.340 0.006 0.000 0.207 196 L C 3.023 179.925 176.870 0.053 0.000 1.086 196 L CA 2.652 57.527 54.840 0.059 0.000 0.760 196 L CB -1.203 40.913 42.059 0.094 0.000 0.910 196 L HN 0.407 nan 8.230 nan 0.000 0.437 197 G N 0.057 108.885 108.800 0.047 0.000 2.446 197 G HA2 -0.214 3.749 3.960 0.006 0.000 0.217 197 G HA3 -0.214 3.749 3.960 0.006 0.000 0.217 197 G C -0.595 174.194 174.900 -0.186 0.000 1.168 197 G CA 0.760 45.870 45.100 0.017 0.000 0.771 197 G HN 0.311 nan 8.290 nan 0.000 0.551 198 P HA -0.092 nan 4.420 nan 0.000 0.213 198 P C 1.992 179.323 177.300 0.051 0.000 1.170 198 P CA 0.692 63.646 63.100 -0.243 0.000 0.898 198 P CB -0.103 31.485 31.700 -0.186 0.000 0.787 199 I N -0.960 119.661 120.570 0.085 0.000 2.394 199 I HA -0.112 4.061 4.170 0.006 0.000 0.251 199 I C 2.092 178.311 176.117 0.170 0.000 1.136 199 I CA 1.548 62.956 61.300 0.181 0.000 1.425 199 I CB -0.677 37.420 38.000 0.161 0.000 1.079 199 I HN -0.067 nan 8.210 nan 0.000 0.425 200 G N 0.165 108.986 108.800 0.036 0.000 2.418 200 G HA2 -0.266 3.698 3.960 0.006 0.000 0.217 200 G HA3 -0.266 3.698 3.960 0.006 0.000 0.217 200 G C 1.733 176.529 174.900 -0.173 0.000 1.158 200 G CA 0.690 45.797 45.100 0.012 0.000 0.771 200 G HN 0.536 nan 8.290 nan 0.000 0.545 201 A N 0.631 123.134 122.820 -0.527 0.000 1.930 201 A HA 0.086 4.410 4.320 0.006 0.000 0.217 201 A C 2.387 179.857 177.584 -0.189 0.000 1.175 201 A CA 1.155 52.773 52.037 -0.698 0.000 0.627 201 A CB -0.325 18.218 19.000 -0.762 0.000 0.815 201 A HN 0.373 nan 8.150 nan 0.000 0.443 202 I N -1.926 118.628 120.570 -0.027 0.000 2.127 202 I HA -0.298 3.876 4.170 0.006 0.000 0.241 202 I C 2.251 178.218 176.117 -0.249 0.000 1.075 202 I CA 1.583 62.816 61.300 -0.110 0.000 1.334 202 I CB -0.382 37.556 38.000 -0.104 0.000 1.040 202 I HN 0.417 nan 8.210 nan 0.000 0.405 203 Y N 0.090 120.377 120.300 -0.022 0.000 2.439 203 Y HA -0.216 4.338 4.550 0.006 0.000 0.292 203 Y C 2.591 178.503 175.900 0.020 0.000 1.130 203 Y CA 0.970 59.066 58.100 -0.006 0.000 1.254 203 Y CB -0.277 38.169 38.460 -0.024 0.000 1.000 203 Y HN 0.218 nan 8.280 nan 0.000 0.554 204 Q N 0.635 120.488 119.800 0.088 0.000 2.049 204 Q HA -0.103 4.240 4.340 0.006 0.000 0.198 204 Q C 2.340 178.398 176.000 0.097 0.000 0.971 204 Q CA 1.718 57.583 55.803 0.104 0.000 0.833 204 Q CB -0.418 28.362 28.738 0.070 0.000 0.896 204 Q HN 0.345 nan 8.270 nan 0.000 0.434 205 A N 0.833 123.651 122.820 -0.003 0.000 1.902 205 A HA -0.187 4.137 4.320 0.006 0.000 0.217 205 A C 2.115 179.682 177.584 -0.028 0.000 1.181 205 A CA 1.661 53.673 52.037 -0.043 0.000 0.623 205 A CB -0.627 18.299 19.000 -0.123 0.000 0.818 205 A HN 0.310 nan 8.150 nan 0.000 0.443 206 K N -1.473 118.911 120.400 -0.028 0.000 2.097 206 K HA -0.113 4.211 4.320 0.006 0.000 0.205 206 K C 1.741 178.395 176.600 0.090 0.000 1.050 206 K CA 1.285 57.580 56.287 0.014 0.000 0.938 206 K CB -0.332 32.150 32.500 -0.030 0.000 0.718 206 K HN 0.449 nan 8.250 nan 0.000 0.442 207 F N 1.803 121.742 119.950 -0.019 0.000 2.186 207 F HA -0.112 4.419 4.527 0.006 0.000 0.299 207 F C 1.901 177.720 175.800 0.032 0.000 1.090 207 F CA 0.988 58.977 58.000 -0.018 0.000 1.307 207 F CB -0.107 38.879 39.000 -0.022 0.000 1.019 207 F HN -0.070 nan 8.300 nan 0.000 0.489 208 L N -0.082 121.176 121.223 0.059 0.000 2.046 208 L HA -0.247 4.097 4.340 0.006 0.000 0.208 208 L C 2.412 179.187 176.870 -0.158 0.000 1.077 208 L CA 1.514 56.328 54.840 -0.043 0.000 0.747 208 L CB -0.724 41.336 42.059 0.001 0.000 0.896 208 L HN 0.059 nan 8.230 nan 0.000 0.432 209 K N -0.801 119.513 120.400 -0.144 0.000 2.148 209 K HA -0.224 4.100 4.320 0.006 0.000 0.204 209 K C 2.112 178.510 176.600 -0.337 0.000 1.050 209 K CA 1.428 57.552 56.287 -0.272 0.000 0.942 209 K CB -0.287 32.115 32.500 -0.163 0.000 0.724 209 K HN 0.198 nan 8.250 nan 0.000 0.446 210 Y N 1.541 121.615 120.300 -0.377 0.000 2.145 210 Y HA -0.241 4.313 4.550 0.006 0.000 0.286 210 Y C 1.851 177.455 175.900 -0.493 0.000 1.145 210 Y CA 1.181 58.934 58.100 -0.580 0.000 1.148 210 Y CB -0.183 37.715 38.460 -0.937 0.000 0.981 210 Y HN -0.112 nan 8.280 nan 0.000 0.507 211 L N 0.950 121.870 121.223 -0.505 0.000 2.083 211 L HA -0.182 4.161 4.340 0.006 0.000 0.209 211 L C 2.496 179.175 176.870 -0.318 0.000 1.083 211 L CA 2.045 56.612 54.840 -0.455 0.000 0.752 211 L CB -1.315 40.550 42.059 -0.322 0.000 0.899 211 L HN 0.450 nan 8.230 nan 0.000 0.433 212 E N -1.154 118.876 120.200 -0.284 0.000 2.028 212 E HA -0.208 4.145 4.350 0.006 0.000 0.190 212 E C 2.114 178.630 176.600 -0.140 0.000 0.984 212 E CA 1.087 57.360 56.400 -0.212 0.000 0.800 212 E CB -0.119 29.437 29.700 -0.240 0.000 0.758 212 E HN 0.618 nan 8.360 nan 0.000 0.448 213 H N -0.427 118.587 119.070 -0.094 0.000 2.422 213 H HA 0.006 4.565 4.556 0.006 0.000 0.298 213 H C 1.855 177.116 175.328 -0.112 0.000 1.098 213 H CA 0.900 56.922 56.048 -0.044 0.000 1.315 213 H CB 0.159 29.990 29.762 0.115 0.000 1.382 213 H HN 0.025 nan 8.280 nan 0.000 0.523 214 R N 0.180 120.592 120.500 -0.146 0.000 2.313 214 R HA 0.041 4.384 4.340 0.006 0.000 0.199 214 R C 0.966 177.169 176.300 -0.161 0.000 0.958 214 R CA 0.537 56.496 56.100 -0.235 0.000 1.047 214 R CB 0.521 30.497 30.300 -0.540 0.000 0.955 214 R HN 0.450 nan 8.270 nan 0.000 0.481 215 G N 1.240 109.968 108.800 -0.120 0.000 2.160 215 G HA2 -0.269 3.695 3.960 0.006 0.000 0.251 215 G HA3 -0.269 3.695 3.960 0.006 0.000 0.251 215 G C 0.603 175.444 174.900 -0.097 0.000 1.008 215 G CA 0.163 45.211 45.100 -0.086 0.000 0.724 215 G HN 0.302 nan 8.290 nan 0.000 0.514 216 L N -1.294 119.845 121.223 -0.139 0.000 2.202 216 L HA 0.394 4.737 4.340 0.006 0.000 0.205 216 L C 1.314 178.133 176.870 -0.085 0.000 1.083 216 L CA 1.294 56.064 54.840 -0.117 0.000 0.790 216 L CB 0.217 42.182 42.059 -0.157 0.000 0.942 216 L HN 0.269 nan 8.230 nan 0.000 0.452 217 K N -0.199 120.143 120.400 -0.098 0.000 2.557 217 K HA 0.106 4.429 4.320 0.006 0.000 0.261 217 K C -1.698 174.857 176.600 -0.074 0.000 0.932 217 K CA -0.655 55.592 56.287 -0.067 0.000 0.829 217 K CB 2.007 34.478 32.500 -0.049 0.000 1.358 217 K HN -0.272 nan 8.250 nan 0.000 0.430 218 D N 2.522 122.891 120.400 -0.052 0.000 2.393 218 D HA 0.059 4.703 4.640 0.006 0.000 0.232 218 D C 0.435 176.707 176.300 -0.047 0.000 1.192 218 D CA 0.040 54.010 54.000 -0.051 0.000 0.882 218 D CB 0.991 41.771 40.800 -0.033 0.000 1.038 218 D HN 0.560 nan 8.370 nan 0.000 0.499 219 T N -0.571 113.945 114.554 -0.063 0.000 3.145 219 T HA -0.000 4.353 4.350 0.006 0.000 0.255 219 T C 1.687 176.360 174.700 -0.046 0.000 1.039 219 T CA 0.254 62.325 62.100 -0.048 0.000 0.928 219 T CB -0.208 68.626 68.868 -0.057 0.000 1.029 219 T HN 0.206 nan 8.240 nan 0.000 0.554 220 S N 2.215 117.885 115.700 -0.049 0.000 2.440 220 S HA -0.116 4.357 4.470 0.006 0.000 0.238 220 S C 1.606 176.194 174.600 -0.020 0.000 1.010 220 S CA 0.570 58.745 58.200 -0.042 0.000 0.972 220 S CB -0.553 62.626 63.200 -0.035 0.000 0.774 220 S HN 0.639 nan 8.310 nan 0.000 0.501 221 K N 0.870 121.267 120.400 -0.005 0.000 2.417 221 K HA 0.224 4.548 4.320 0.006 0.000 0.196 221 K C 0.182 176.803 176.600 0.034 0.000 1.023 221 K CA 0.037 56.336 56.287 0.020 0.000 1.122 221 K CB 0.181 32.700 32.500 0.030 0.000 0.850 221 K HN 0.557 nan 8.250 nan 0.000 0.521 222 Q N 0.636 120.445 119.800 0.016 0.000 2.245 222 Q HA 0.260 4.603 4.340 0.006 0.000 0.256 222 Q C -0.726 175.272 176.000 -0.003 0.000 0.942 222 Q CA -0.233 55.587 55.803 0.029 0.000 0.896 222 Q CB 2.089 30.842 28.738 0.026 0.000 1.272 222 Q HN -0.100 nan 8.270 nan 0.000 0.442 223 T N 0.989 115.542 114.554 -0.000 0.000 2.861 223 T HA 0.415 4.769 4.350 0.006 0.000 0.287 223 T C -0.765 173.847 174.700 -0.147 0.000 1.003 223 T CA -0.568 61.450 62.100 -0.136 0.000 0.977 223 T CB 1.413 70.146 68.868 -0.225 0.000 0.996 223 T HN 0.248 nan 8.240 nan 0.000 0.448 224 V N 3.815 123.607 119.914 -0.203 0.000 2.350 224 V HA 0.406 4.529 4.120 0.006 0.000 0.276 224 V C -1.132 174.864 176.094 -0.163 0.000 1.028 224 V CA -0.734 61.518 62.300 -0.080 0.000 0.860 224 V CB 0.220 32.013 31.823 -0.049 0.000 0.990 224 V HN 0.786 nan 8.190 nan 0.000 0.453 225 Y N 2.713 123.075 120.300 0.103 0.000 2.341 225 Y HA 0.706 5.260 4.550 0.006 0.000 0.337 225 Y C 0.410 176.356 175.900 0.077 0.000 1.014 225 Y CA -0.621 57.528 58.100 0.082 0.000 1.111 225 Y CB 1.964 40.547 38.460 0.206 0.000 1.194 225 Y HN 0.657 nan 8.280 nan 0.000 0.462 226 A N 4.372 127.243 122.820 0.085 0.000 2.310 226 A HA 0.661 4.984 4.320 0.006 0.000 0.304 226 A C -1.557 175.922 177.584 -0.175 0.000 1.231 226 A CA -0.537 51.471 52.037 -0.048 0.000 0.799 226 A CB -0.120 18.674 19.000 -0.343 0.000 1.162 226 A HN 0.611 nan 8.150 nan 0.000 0.486 227 F N 2.954 122.919 119.950 0.025 0.000 2.404 227 F HA 0.522 5.052 4.527 0.006 0.000 0.358 227 F C 0.187 175.977 175.800 -0.017 0.000 1.120 227 F CA -0.009 58.005 58.000 0.023 0.000 1.144 227 F CB 1.015 40.101 39.000 0.143 0.000 1.133 227 F HN 0.382 nan 8.300 nan 0.000 0.495 228 L N 2.389 123.609 121.223 -0.005 0.000 2.319 228 L HA 0.812 5.155 4.340 0.006 0.000 0.267 228 L C 0.519 177.394 176.870 0.008 0.000 1.011 228 L CA -1.174 53.638 54.840 -0.046 0.000 0.818 228 L CB 1.722 43.649 42.059 -0.219 0.000 1.316 228 L HN 0.608 nan 8.230 nan 0.000 0.432 229 G N -0.708 108.112 108.800 0.033 0.000 2.437 229 G HA2 0.331 4.294 3.960 0.006 0.000 0.319 229 G HA3 0.331 4.294 3.960 0.006 0.000 0.319 229 G C 0.091 174.999 174.900 0.013 0.000 1.158 229 G CA -0.294 44.840 45.100 0.057 0.000 0.899 229 G HN 0.785 nan 8.290 nan 0.000 0.502 230 D N 0.089 120.499 120.400 0.016 0.000 2.194 230 D HA -0.049 4.595 4.640 0.006 0.000 0.204 230 D C 2.172 178.480 176.300 0.013 0.000 0.964 230 D CA 1.088 55.088 54.000 0.000 0.000 0.846 230 D CB -0.779 40.020 40.800 -0.002 0.000 0.962 230 D HN 0.482 nan 8.370 nan 0.000 0.490 231 G N 0.660 109.477 108.800 0.028 0.000 2.422 231 G HA2 -0.316 3.648 3.960 0.006 0.000 0.218 231 G HA3 -0.316 3.648 3.960 0.006 0.000 0.218 231 G C 1.443 176.352 174.900 0.014 0.000 1.146 231 G CA 0.708 45.823 45.100 0.024 0.000 0.769 231 G HN 0.478 nan 8.290 nan 0.000 0.547 232 E N -0.144 120.065 120.200 0.016 0.000 2.267 232 E HA -0.130 4.224 4.350 0.006 0.000 0.197 232 E C 2.107 178.705 176.600 -0.003 0.000 0.998 232 E CA 0.666 57.069 56.400 0.004 0.000 0.830 232 E CB -0.118 29.587 29.700 0.008 0.000 0.751 232 E HN 0.272 nan 8.360 nan 0.000 0.491 233 M N 0.904 120.505 119.600 0.001 0.000 2.632 233 M HA -0.061 4.423 4.480 0.006 0.000 0.256 233 M C 0.737 177.045 176.300 0.013 0.000 1.080 233 M CA 0.910 56.218 55.300 0.014 0.000 1.084 233 M CB -0.439 32.180 32.600 0.032 0.000 1.439 233 M HN 0.038 nan 8.290 nan 0.000 0.509 234 D N 0.458 120.861 120.400 0.006 0.000 2.277 234 D HA -0.020 4.624 4.640 0.006 0.000 0.208 234 D C 0.450 176.749 176.300 -0.002 0.000 0.962 234 D CA 0.476 54.477 54.000 0.002 0.000 0.865 234 D CB 0.174 40.976 40.800 0.003 0.000 0.939 234 D HN 0.249 nan 8.370 nan 0.000 0.510 235 E N 0.951 121.151 120.200 -0.001 0.000 2.417 235 E HA -0.008 4.345 4.350 0.006 0.000 0.261 235 E C -1.601 174.997 176.600 -0.002 0.000 1.000 235 E CA -1.205 55.194 56.400 -0.002 0.000 0.919 235 E CB 0.860 30.559 29.700 -0.001 0.000 0.955 235 E HN 0.085 nan 8.360 nan 0.000 0.455 236 P HA -0.183 nan 4.420 nan 0.000 0.216 236 P C 0.645 177.943 177.300 -0.004 0.000 1.150 236 P CA 1.288 64.382 63.100 -0.010 0.000 0.843 236 P CB 0.349 32.043 31.700 -0.011 0.000 0.787 237 E N -1.084 119.119 120.200 0.005 0.000 2.268 237 E HA -0.089 4.265 4.350 0.006 0.000 0.195 237 E C 2.022 178.643 176.600 0.035 0.000 0.995 237 E CA 0.947 57.359 56.400 0.019 0.000 0.836 237 E CB -0.823 28.889 29.700 0.020 0.000 0.763 237 E HN 0.193 nan 8.360 nan 0.000 0.491 238 S N 0.417 116.131 115.700 0.023 0.000 2.356 238 S HA -0.086 4.387 4.470 0.006 0.000 0.223 238 S C 1.483 176.128 174.600 0.076 0.000 1.032 238 S CA 1.224 59.447 58.200 0.037 0.000 1.005 238 S CB 0.005 63.215 63.200 0.015 0.000 0.867 238 S HN 0.208 nan 8.310 nan 0.000 0.449 239 K N 0.082 120.483 120.400 0.002 0.000 2.373 239 K HA 0.212 4.535 4.320 0.006 0.000 0.200 239 K C 1.937 178.466 176.600 -0.118 0.000 1.054 239 K CA 0.341 56.560 56.287 -0.114 0.000 1.065 239 K CB 0.231 32.617 32.500 -0.191 0.000 0.886 239 K HN 0.315 nan 8.250 nan 0.000 0.546 240 G N 1.360 110.134 108.800 -0.043 0.000 2.501 240 G HA2 -0.210 3.754 3.960 0.006 0.000 0.220 240 G HA3 -0.210 3.754 3.960 0.006 0.000 0.220 240 G C 1.165 176.061 174.900 -0.005 0.000 1.114 240 G CA 1.036 46.118 45.100 -0.030 0.000 0.757 240 G HN 0.312 nan 8.290 nan 0.000 0.559 241 A N 0.175 123.012 122.820 0.029 0.000 2.545 241 A HA 0.404 4.727 4.320 0.006 0.000 0.263 241 A C 1.880 179.494 177.584 0.049 0.000 1.202 241 A CA 0.229 52.308 52.037 0.071 0.000 0.959 241 A CB -0.063 19.048 19.000 0.186 0.000 1.124 241 A HN 0.498 nan 8.150 nan 0.000 0.543 242 I N -3.215 117.348 120.570 -0.013 0.000 2.567 242 I HA -0.122 4.052 4.170 0.006 0.000 0.257 242 I C 1.749 177.997 176.117 0.218 0.000 1.184 242 I CA 1.894 63.221 61.300 0.045 0.000 1.451 242 I CB -0.802 36.880 38.000 -0.530 0.000 1.089 242 I HN 0.043 nan 8.210 nan 0.000 0.441 243 T N 1.762 116.344 114.554 0.046 0.000 2.833 243 T HA -0.050 4.303 4.350 0.006 0.000 0.269 243 T C 1.716 176.428 174.700 0.019 0.000 1.054 243 T CA 1.653 63.778 62.100 0.041 0.000 1.135 243 T CB -0.297 68.565 68.868 -0.011 0.000 0.869 243 T HN 0.291 nan 8.240 nan 0.000 0.466 244 I N 1.534 122.101 120.570 -0.004 0.000 2.361 244 I HA -0.084 4.090 4.170 0.006 0.000 0.251 244 I C 2.571 178.601 176.117 -0.146 0.000 1.133 244 I CA 0.813 62.070 61.300 -0.072 0.000 1.413 244 I CB -0.663 37.264 38.000 -0.123 0.000 1.073 244 I HN 0.150 nan 8.210 nan 0.000 0.424 245 A N -0.578 122.146 122.820 -0.159 0.000 1.972 245 A HA -0.195 4.129 4.320 0.006 0.000 0.219 245 A C 2.419 179.761 177.584 -0.405 0.000 1.169 245 A CA 2.367 54.179 52.037 -0.375 0.000 0.635 245 A CB -1.046 17.555 19.000 -0.665 0.000 0.810 245 A HN 0.414 nan 8.150 nan 0.000 0.446 246 T N -0.803 113.589 114.554 -0.270 0.000 2.937 246 T HA -0.029 4.324 4.350 0.006 0.000 0.260 246 T C 2.034 176.649 174.700 -0.142 0.000 1.051 246 T CA 1.041 63.013 62.100 -0.213 0.000 1.141 246 T CB -0.146 68.667 68.868 -0.091 0.000 0.879 246 T HN 0.501 nan 8.240 nan 0.000 0.459 247 R N 1.179 121.616 120.500 -0.105 0.000 2.096 247 R HA -0.000 4.343 4.340 0.006 0.000 0.235 247 R C 1.738 177.983 176.300 -0.091 0.000 1.127 247 R CA 0.964 57.016 56.100 -0.080 0.000 0.968 247 R CB -0.023 30.245 30.300 -0.053 0.000 0.861 247 R HN 0.389 nan 8.270 nan 0.000 0.440 248 E N 0.671 120.804 120.200 -0.112 0.000 2.465 248 E HA 0.040 4.394 4.350 0.006 0.000 0.195 248 E C -0.447 176.086 176.600 -0.111 0.000 1.028 248 E CA -0.066 56.279 56.400 -0.091 0.000 0.899 248 E CB 0.482 30.144 29.700 -0.063 0.000 1.032 248 E HN 0.177 nan 8.360 nan 0.000 0.468 249 K N 1.124 121.429 120.400 -0.157 0.000 3.451 249 K HA -0.171 4.152 4.320 0.006 0.000 0.273 249 K C -0.208 176.272 176.600 -0.199 0.000 0.944 249 K CA 0.198 56.380 56.287 -0.176 0.000 0.734 249 K CB -1.633 30.798 32.500 -0.114 0.000 1.437 249 K HN 0.224 nan 8.250 nan 0.000 0.454 250 L N 2.155 123.204 121.223 -0.290 0.000 2.376 250 L HA 0.020 4.364 4.340 0.006 0.000 0.250 250 L C 0.973 177.644 176.870 -0.332 0.000 1.335 250 L CA -0.161 54.500 54.840 -0.298 0.000 1.214 250 L CB -0.418 41.428 42.059 -0.355 0.000 1.395 250 L HN 0.297 nan 8.230 nan 0.000 0.424 251 D N -0.830 119.424 120.400 -0.243 0.000 2.323 251 D HA -0.103 4.540 4.640 0.006 0.000 0.239 251 D C 0.954 177.138 176.300 -0.193 0.000 1.129 251 D CA 0.004 53.870 54.000 -0.222 0.000 0.865 251 D CB -0.115 40.588 40.800 -0.162 0.000 0.913 251 D HN 0.418 nan 8.370 nan 0.000 0.517 252 N N 0.068 118.646 118.700 -0.203 0.000 2.235 252 N HA 0.098 4.841 4.740 0.006 0.000 0.231 252 N C -0.468 174.906 175.510 -0.226 0.000 1.177 252 N CA -0.486 52.456 53.050 -0.180 0.000 0.874 252 N CB 0.329 38.735 38.487 -0.134 0.000 1.097 252 N HN 0.200 nan 8.380 nan 0.000 0.518 253 L N 0.498 121.555 121.223 -0.276 0.000 2.362 253 L HA 0.654 4.997 4.340 0.006 0.000 0.275 253 L C -1.437 175.273 176.870 -0.267 0.000 0.998 253 L CA -0.823 53.851 54.840 -0.277 0.000 0.820 253 L CB 2.198 44.061 42.059 -0.327 0.000 1.270 253 L HN -0.123 nan 8.230 nan 0.000 0.415 254 V N 5.446 125.256 119.914 -0.173 0.000 2.482 254 V HA 0.448 4.572 4.120 0.006 0.000 0.295 254 V C -0.794 175.411 176.094 0.184 0.000 1.026 254 V CA -0.470 61.791 62.300 -0.065 0.000 0.856 254 V CB 1.423 33.155 31.823 -0.152 0.000 1.001 254 V HN 0.489 nan 8.190 nan 0.000 0.424 255 F N 3.825 123.758 119.950 -0.027 0.000 2.404 255 F HA 0.599 5.130 4.527 0.006 0.000 0.345 255 F C 0.252 175.873 175.800 -0.299 0.000 1.110 255 F CA -1.105 56.814 58.000 -0.134 0.000 1.130 255 F CB 1.914 40.820 39.000 -0.156 0.000 1.129 255 F HN 0.170 nan 8.300 nan 0.000 0.500 256 V N 6.317 126.060 119.914 -0.285 0.000 2.349 256 V HA 0.354 4.478 4.120 0.006 0.000 0.284 256 V C -0.019 175.895 176.094 -0.300 0.000 1.014 256 V CA -0.602 61.454 62.300 -0.406 0.000 0.826 256 V CB 1.167 32.535 31.823 -0.759 0.000 1.009 256 V HN 0.450 nan 8.190 nan 0.000 0.431 257 I N 4.014 124.433 120.570 -0.252 0.000 2.315 257 I HA 0.332 4.505 4.170 0.006 0.000 0.291 257 I C 0.377 176.416 176.117 -0.131 0.000 1.006 257 I CA -0.403 60.785 61.300 -0.187 0.000 1.265 257 I CB 1.197 39.066 38.000 -0.218 0.000 1.387 257 I HN 0.469 nan 8.210 nan 0.000 0.475 258 N N 6.463 125.128 118.700 -0.058 0.000 2.421 258 N HA 0.081 4.825 4.740 0.006 0.000 0.260 258 N C -0.726 174.765 175.510 -0.032 0.000 1.173 258 N CA -0.254 52.776 53.050 -0.034 0.000 0.960 258 N CB 0.268 38.773 38.487 0.031 0.000 1.273 258 N HN 0.546 nan 8.380 nan 0.000 0.497 259 C N 4.075 123.339 119.300 -0.060 0.000 2.400 259 C HA 0.178 4.641 4.460 0.006 0.000 0.457 259 C C 1.325 176.333 174.990 0.031 0.000 1.020 259 C CA -0.883 58.118 59.018 -0.030 0.000 1.258 259 C CB -1.916 25.776 27.740 -0.081 0.000 1.532 259 C HN 0.698 nan 8.230 nan 0.000 0.537 260 N N 1.311 120.035 118.700 0.040 0.000 2.336 260 N HA 0.063 4.807 4.740 0.006 0.000 0.189 260 N C 0.818 176.381 175.510 0.088 0.000 1.113 260 N CA -0.087 53.000 53.050 0.062 0.000 0.858 260 N CB -0.400 38.133 38.487 0.075 0.000 0.970 260 N HN 0.673 nan 8.380 nan 0.000 0.471 261 L N -2.772 118.499 121.223 0.080 0.000 4.937 261 L HA -0.289 4.054 4.340 0.006 0.000 0.422 261 L C -0.598 176.316 176.870 0.074 0.000 1.059 261 L CA 0.927 55.815 54.840 0.081 0.000 1.111 261 L CB -1.975 40.154 42.059 0.115 0.000 2.033 261 L HN 0.354 nan 8.230 nan 0.000 0.708 262 Q N -0.527 119.318 119.800 0.075 0.000 2.413 262 Q HA 0.705 5.049 4.340 0.006 0.000 0.276 262 Q C -0.175 175.869 176.000 0.074 0.000 1.099 262 Q CA -0.854 54.994 55.803 0.075 0.000 0.814 262 Q CB 2.542 31.333 28.738 0.088 0.000 1.379 262 Q HN 0.202 nan 8.270 nan 0.000 0.436 263 R N 0.257 120.796 120.500 0.064 0.000 3.287 263 R HA 0.406 4.749 4.340 0.006 0.000 0.221 263 R C 0.644 176.981 176.300 0.062 0.000 1.684 263 R CA -0.817 55.317 56.100 0.056 0.000 0.976 263 R CB -0.145 30.177 30.300 0.036 0.000 2.102 263 R HN 0.307 nan 8.270 nan 0.000 0.541 264 L N 1.197 122.448 121.223 0.046 0.000 2.049 264 L HA -0.023 4.321 4.340 0.006 0.000 0.203 264 L C 1.472 178.373 176.870 0.052 0.000 1.074 264 L CA 1.923 56.795 54.840 0.054 0.000 0.749 264 L CB -0.488 41.593 42.059 0.037 0.000 0.907 264 L HN 0.511 nan 8.230 nan 0.000 0.439 265 D N -0.714 119.710 120.400 0.040 0.000 2.317 265 D HA 0.195 4.839 4.640 0.006 0.000 0.211 265 D C 0.982 177.304 176.300 0.037 0.000 0.966 265 D CA 1.039 55.060 54.000 0.036 0.000 0.876 265 D CB 0.562 41.378 40.800 0.027 0.000 0.927 265 D HN 0.427 nan 8.370 nan 0.000 0.519 266 G N -0.036 108.788 108.800 0.041 0.000 2.360 266 G HA2 0.142 4.106 3.960 0.006 0.000 0.276 266 G HA3 0.142 4.106 3.960 0.006 0.000 0.276 266 G C -2.908 172.019 174.900 0.044 0.000 1.256 266 G CA -0.867 44.258 45.100 0.041 0.000 0.890 266 G HN -0.218 nan 8.290 nan 0.000 0.486 267 P HA 0.287 nan 4.420 nan 0.000 0.271 267 P C 1.234 178.557 177.300 0.038 0.000 1.218 267 P CA -0.122 63.005 63.100 0.046 0.000 0.780 267 P CB 1.590 33.317 31.700 0.044 0.000 0.901 268 V N 1.809 121.747 119.914 0.040 0.000 2.255 268 V HA -0.138 3.985 4.120 0.006 0.000 0.247 268 V C 1.420 177.529 176.094 0.025 0.000 1.051 268 V CA 2.742 65.061 62.300 0.031 0.000 1.018 268 V CB -1.341 30.500 31.823 0.029 0.000 0.641 268 V HN 0.841 nan 8.190 nan 0.000 0.445 269 T N -2.915 111.656 114.554 0.027 0.000 3.198 269 T HA 0.480 4.834 4.350 0.006 0.000 0.352 269 T C 0.890 175.606 174.700 0.026 0.000 1.197 269 T CA 0.124 62.237 62.100 0.021 0.000 1.427 269 T CB 0.760 69.638 68.868 0.016 0.000 0.983 269 T HN 0.288 nan 8.240 nan 0.000 0.560 270 G N 2.637 111.452 108.800 0.024 0.000 2.469 270 G HA2 -0.226 3.738 3.960 0.006 0.000 0.220 270 G HA3 -0.226 3.738 3.960 0.006 0.000 0.220 270 G C 1.265 176.175 174.900 0.017 0.000 1.136 270 G CA 0.484 45.598 45.100 0.023 0.000 0.759 270 G HN 0.620 nan 8.290 nan 0.000 0.562 271 N N 1.008 119.714 118.700 0.011 0.000 2.383 271 N HA 0.180 4.923 4.740 0.006 0.000 0.192 271 N C 0.957 176.470 175.510 0.005 0.000 1.141 271 N CA 0.704 53.757 53.050 0.006 0.000 0.851 271 N CB 0.660 39.150 38.487 0.004 0.000 0.976 271 N HN 0.403 nan 8.380 nan 0.000 0.465 272 G N -0.334 108.471 108.800 0.009 0.000 3.183 272 G HA2 0.546 4.509 3.960 0.006 0.000 0.247 272 G HA3 0.546 4.509 3.960 0.006 0.000 0.247 272 G C -1.179 173.723 174.900 0.002 0.000 1.211 272 G CA -0.545 44.556 45.100 0.002 0.000 0.835 272 G HN -0.032 nan 8.290 nan 0.000 0.604 273 K N 1.256 121.649 120.400 -0.012 0.000 2.675 273 K HA 0.245 4.569 4.320 0.006 0.000 0.224 273 K C 1.237 177.837 176.600 -0.001 0.000 1.003 273 K CA -0.385 55.887 56.287 -0.025 0.000 1.034 273 K CB 1.779 34.209 32.500 -0.116 0.000 1.218 273 K HN 0.553 nan 8.250 nan 0.000 0.507 274 I N -0.785 119.794 120.570 0.015 0.000 2.248 274 I HA -0.300 3.874 4.170 0.006 0.000 0.248 274 I C 1.605 177.724 176.117 0.004 0.000 1.107 274 I CA 1.410 62.717 61.300 0.011 0.000 1.373 274 I CB -0.338 37.669 38.000 0.012 0.000 1.055 274 I HN 0.465 nan 8.210 nan 0.000 0.418 275 I N 1.726 122.302 120.570 0.010 0.000 2.286 275 I HA -0.241 3.933 4.170 0.006 0.000 0.248 275 I C 2.168 178.295 176.117 0.016 0.000 1.115 275 I CA 1.440 62.732 61.300 -0.012 0.000 1.392 275 I CB -0.630 37.351 38.000 -0.031 0.000 1.065 275 I HN 0.326 nan 8.210 nan 0.000 0.418 276 N N 0.487 119.215 118.700 0.047 0.000 2.270 276 N HA -0.186 4.558 4.740 0.006 0.000 0.181 276 N C 1.708 177.228 175.510 0.017 0.000 1.016 276 N CA 0.921 53.991 53.050 0.033 0.000 0.870 276 N CB -0.197 38.298 38.487 0.015 0.000 0.979 276 N HN 0.420 nan 8.380 nan 0.000 0.431 277 E N 0.135 120.343 120.200 0.012 0.000 2.051 277 E HA -0.141 4.212 4.350 0.006 0.000 0.192 277 E C 1.431 178.050 176.600 0.031 0.000 0.991 277 E CA 0.783 57.190 56.400 0.012 0.000 0.799 277 E CB 0.037 29.742 29.700 0.009 0.000 0.748 277 E HN 0.027 nan 8.360 nan 0.000 0.449 278 L N 1.628 122.875 121.223 0.040 0.000 2.017 278 L HA -0.174 4.169 4.340 0.006 0.000 0.208 278 L C 2.420 179.362 176.870 0.120 0.000 1.073 278 L CA 2.018 56.917 54.840 0.099 0.000 0.745 278 L CB -1.088 40.971 42.059 0.001 0.000 0.894 278 L HN 0.283 nan 8.230 nan 0.000 0.432 279 E N -0.873 119.344 120.200 0.029 0.000 2.085 279 E HA -0.208 4.146 4.350 0.006 0.000 0.194 279 E C 2.155 178.786 176.600 0.051 0.000 0.994 279 E CA 1.225 57.641 56.400 0.025 0.000 0.801 279 E CB -0.326 29.371 29.700 -0.005 0.000 0.743 279 E HN 0.487 nan 8.360 nan 0.000 0.453 280 G N 1.544 110.363 108.800 0.032 0.000 2.459 280 G HA2 -0.294 3.669 3.960 0.006 0.000 0.217 280 G HA3 -0.294 3.669 3.960 0.006 0.000 0.217 280 G C 1.617 176.516 174.900 -0.003 0.000 1.183 280 G CA 0.920 46.029 45.100 0.014 0.000 0.776 280 G HN 0.402 nan 8.290 nan 0.000 0.552 281 I N -1.202 119.358 120.570 -0.017 0.000 2.406 281 I HA 0.053 4.226 4.170 0.006 0.000 0.249 281 I C 2.374 178.362 176.117 -0.216 0.000 1.122 281 I CA 0.689 61.920 61.300 -0.116 0.000 1.431 281 I CB 0.033 37.935 38.000 -0.163 0.000 1.087 281 I HN 0.150 nan 8.210 nan 0.000 0.424 282 F N 1.278 121.111 119.950 -0.196 0.000 2.146 282 F HA -0.217 4.313 4.527 0.006 0.000 0.298 282 F C 2.500 178.231 175.800 -0.116 0.000 1.096 282 F CA 1.745 59.566 58.000 -0.298 0.000 1.275 282 F CB -0.411 38.359 39.000 -0.383 0.000 1.008 282 F HN 0.099 nan 8.300 nan 0.000 0.480 283 E N 0.246 120.507 120.200 0.102 0.000 2.077 283 E HA -0.118 4.235 4.350 0.006 0.000 0.193 283 E C 2.458 179.084 176.600 0.043 0.000 0.989 283 E CA 1.514 57.962 56.400 0.080 0.000 0.800 283 E CB -0.881 28.848 29.700 0.049 0.000 0.746 283 E HN 0.258 nan 8.360 nan 0.000 0.452 284 G N -0.168 108.632 108.800 0.001 0.000 2.448 284 G HA2 -0.172 3.792 3.960 0.006 0.000 0.219 284 G HA3 -0.172 3.792 3.960 0.006 0.000 0.219 284 G C 1.471 176.360 174.900 -0.018 0.000 1.127 284 G CA 0.706 45.797 45.100 -0.016 0.000 0.766 284 G HN 0.410 nan 8.290 nan 0.000 0.552 285 A N -0.389 122.411 122.820 -0.034 0.000 2.238 285 A HA 0.475 4.799 4.320 0.006 0.000 0.208 285 A C 1.969 179.639 177.584 0.142 0.000 1.177 285 A CA 1.233 53.267 52.037 -0.003 0.000 0.804 285 A CB -0.412 18.500 19.000 -0.147 0.000 0.823 285 A HN 1.531 nan 8.150 nan 0.000 0.482 286 G N -2.760 106.121 108.800 0.135 0.000 2.141 286 G HA2 -0.253 3.710 3.960 0.006 0.000 0.242 286 G HA3 -0.253 3.710 3.960 0.006 0.000 0.242 286 G C -0.140 174.868 174.900 0.181 0.000 0.982 286 G CA 0.102 45.275 45.100 0.122 0.000 0.662 286 G HN 0.369 nan 8.290 nan 0.000 0.527 287 W N 0.474 121.754 121.300 -0.034 0.000 2.183 287 W HA 0.628 5.292 4.660 0.006 0.000 0.348 287 W C 0.557 177.054 176.519 -0.036 0.000 1.257 287 W CA -0.780 56.548 57.345 -0.028 0.000 1.324 287 W CB 0.439 29.941 29.460 0.070 0.000 1.144 287 W HN 0.199 nan 8.180 nan 0.000 0.622 288 N N 1.236 120.037 118.700 0.169 0.000 2.444 288 N HA 0.357 5.101 4.740 0.006 0.000 0.271 288 N C -1.408 174.139 175.510 0.063 0.000 1.069 288 N CA -0.358 52.727 53.050 0.058 0.000 0.965 288 N CB 0.818 39.291 38.487 -0.024 0.000 1.092 288 N HN 0.259 nan 8.380 nan 0.000 0.476 289 V N 2.248 122.173 119.914 0.017 0.000 2.459 289 V HA 0.646 4.770 4.120 0.006 0.000 0.295 289 V C -0.270 175.767 176.094 -0.094 0.000 1.029 289 V CA -0.721 61.551 62.300 -0.047 0.000 0.874 289 V CB 0.946 32.745 31.823 -0.039 0.000 0.985 289 V HN 0.538 nan 8.190 nan 0.000 0.438 290 I N 4.820 125.299 120.570 -0.151 0.000 2.410 290 I HA 0.486 4.659 4.170 0.006 0.000 0.286 290 I C -0.060 175.933 176.117 -0.207 0.000 1.009 290 I CA -0.621 60.578 61.300 -0.168 0.000 1.111 290 I CB 1.813 39.694 38.000 -0.199 0.000 1.262 290 I HN 0.630 nan 8.210 nan 0.000 0.443 291 K N 5.640 125.925 120.400 -0.193 0.000 2.211 291 K HA 0.519 4.842 4.320 0.006 0.000 0.275 291 K C -0.752 175.695 176.600 -0.256 0.000 1.024 291 K CA -0.643 55.495 56.287 -0.248 0.000 0.887 291 K CB 2.466 34.808 32.500 -0.264 0.000 1.084 291 K HN 0.293 nan 8.250 nan 0.000 0.463 292 V N 5.561 125.303 119.914 -0.288 0.000 2.239 292 V HA 0.067 4.191 4.120 0.006 0.000 0.267 292 V C 0.661 176.540 176.094 -0.357 0.000 1.056 292 V CA -0.321 61.829 62.300 -0.251 0.000 0.830 292 V CB 0.705 32.407 31.823 -0.202 0.000 1.090 292 V HN 0.811 nan 8.190 nan 0.000 0.459 293 M N 1.583 120.881 119.600 -0.505 0.000 2.276 293 M HA 0.224 4.707 4.480 0.006 0.000 0.262 293 M C 0.303 175.958 176.300 -1.074 0.000 1.098 293 M CA 1.191 55.899 55.300 -0.987 0.000 1.167 293 M CB -0.092 31.669 32.600 -1.398 0.000 1.337 293 M HN 0.503 nan 8.290 nan 0.000 0.446 294 W N -0.239 120.937 121.300 -0.206 0.000 2.761 294 W HA 0.627 5.290 4.660 0.005 0.000 0.340 294 W C 0.609 177.154 176.519 0.044 0.000 1.072 294 W CA -1.236 55.976 57.345 -0.222 0.000 1.215 294 W CB 0.681 29.792 29.460 -0.582 0.000 1.420 294 W HN 0.124 nan 8.180 nan 0.000 0.519 295 G N 0.233 109.343 108.800 0.516 0.000 2.653 295 G HA2 0.174 4.137 3.960 0.006 0.000 0.265 295 G HA3 0.174 4.137 3.960 0.006 0.000 0.265 295 G C 0.658 175.820 174.900 0.437 0.000 1.237 295 G CA -0.429 44.920 45.100 0.415 0.000 0.946 295 G HN 0.526 nan 8.290 nan 0.000 0.522 296 S N -0.512 115.358 115.700 0.284 0.000 2.419 296 S HA -0.101 4.373 4.470 0.006 0.000 0.233 296 S C 2.354 177.098 174.600 0.239 0.000 1.016 296 S CA 0.772 59.110 58.200 0.231 0.000 0.974 296 S CB -0.154 63.133 63.200 0.145 0.000 0.786 296 S HN 0.544 nan 8.310 nan 0.000 0.492 297 R N -0.330 120.310 120.500 0.233 0.000 2.193 297 R HA -0.086 4.257 4.340 0.006 0.000 0.229 297 R C 1.389 177.794 176.300 0.175 0.000 1.110 297 R CA 1.097 57.291 56.100 0.157 0.000 0.988 297 R CB -0.255 30.090 30.300 0.075 0.000 0.871 297 R HN 0.510 nan 8.270 nan 0.000 0.458 298 W N 0.946 122.365 121.300 0.198 0.000 2.770 298 W HA 0.014 4.677 4.660 0.005 0.000 0.256 298 W C 1.470 178.069 176.519 0.134 0.000 1.291 298 W CA 0.049 57.481 57.345 0.146 0.000 1.396 298 W CB 0.101 29.620 29.460 0.098 0.000 1.114 298 W HN 0.009 nan 8.180 nan 0.000 0.637 299 D N 0.888 121.495 120.400 0.346 0.000 2.104 299 D HA -0.227 4.416 4.640 0.006 0.000 0.194 299 D C 1.865 178.285 176.300 0.200 0.000 0.994 299 D CA 2.104 56.252 54.000 0.247 0.000 0.830 299 D CB -0.626 40.290 40.800 0.194 0.000 0.959 299 D HN 0.435 nan 8.370 nan 0.000 0.452 300 E N 0.515 120.829 120.200 0.189 0.000 2.110 300 E HA -0.160 4.193 4.350 0.006 0.000 0.193 300 E C 2.032 178.733 176.600 0.168 0.000 0.988 300 E CA 0.660 57.158 56.400 0.165 0.000 0.804 300 E CB -0.413 29.386 29.700 0.165 0.000 0.745 300 E HN 0.075 nan 8.360 nan 0.000 0.458 301 L N 0.714 122.049 121.223 0.187 0.000 1.994 301 L HA -0.084 4.259 4.340 0.006 0.000 0.208 301 L C 2.419 179.378 176.870 0.149 0.000 1.071 301 L CA 1.600 56.516 54.840 0.128 0.000 0.745 301 L CB -0.718 41.386 42.059 0.076 0.000 0.892 301 L HN 0.256 nan 8.230 nan 0.000 0.431 302 L N -1.153 120.186 121.223 0.194 0.000 2.093 302 L HA -0.207 4.136 4.340 0.006 0.000 0.208 302 L C 2.681 179.624 176.870 0.121 0.000 1.085 302 L CA 1.029 55.965 54.840 0.160 0.000 0.755 302 L CB -0.401 41.763 42.059 0.175 0.000 0.904 302 L HN 0.276 nan 8.230 nan 0.000 0.435 303 R N 1.818 122.392 120.500 0.123 0.000 2.081 303 R HA -0.195 4.149 4.340 0.006 0.000 0.235 303 R C 2.043 178.390 176.300 0.079 0.000 1.131 303 R CA 2.023 58.181 56.100 0.097 0.000 0.960 303 R CB -0.405 29.956 30.300 0.101 0.000 0.856 303 R HN 0.447 nan 8.270 nan 0.000 0.436 304 K N -0.554 119.895 120.400 0.082 0.000 2.426 304 K HA 0.015 4.338 4.320 0.006 0.000 0.193 304 K C -0.267 176.365 176.600 0.053 0.000 1.028 304 K CA 0.562 56.888 56.287 0.065 0.000 1.047 304 K CB 0.027 32.568 32.500 0.068 0.000 0.821 304 K HN 0.069 nan 8.250 nan 0.000 0.513 305 D N 2.626 123.062 120.400 0.059 0.000 2.435 305 D HA -0.012 4.631 4.640 0.006 0.000 0.230 305 D C 0.883 177.205 176.300 0.036 0.000 1.215 305 D CA -0.033 53.995 54.000 0.046 0.000 0.947 305 D CB 1.255 42.089 40.800 0.056 0.000 1.048 305 D HN 0.287 nan 8.370 nan 0.000 0.512 306 T N -0.459 114.111 114.554 0.027 0.000 3.023 306 T HA -0.142 4.211 4.350 0.006 0.000 0.266 306 T C 1.891 176.596 174.700 0.008 0.000 1.093 306 T CA 0.885 62.996 62.100 0.020 0.000 1.129 306 T CB -0.261 68.618 68.868 0.018 0.000 0.899 306 T HN 0.263 nan 8.240 nan 0.000 0.491 307 S N 1.153 116.853 115.700 0.000 0.000 2.423 307 S HA 0.269 4.743 4.470 0.006 0.000 0.231 307 S C 2.181 176.763 174.600 -0.029 0.000 1.014 307 S CA 0.892 59.081 58.200 -0.019 0.000 0.965 307 S CB -1.050 62.132 63.200 -0.030 0.000 0.785 307 S HN 1.348 nan 8.310 nan 0.000 0.495 308 G N 1.052 109.842 108.800 -0.017 0.000 2.176 308 G HA2 -0.249 3.715 3.960 0.006 0.000 0.253 308 G HA3 -0.249 3.715 3.960 0.006 0.000 0.253 308 G C 0.925 175.796 174.900 -0.049 0.000 0.979 308 G CA 0.431 45.520 45.100 -0.018 0.000 0.641 308 G HN 0.381 nan 8.290 nan 0.000 0.530 309 K N -0.236 120.116 120.400 -0.080 0.000 2.148 309 K HA 0.148 4.471 4.320 0.006 0.000 0.204 309 K C 2.471 179.019 176.600 -0.086 0.000 1.050 309 K CA 1.457 57.650 56.287 -0.158 0.000 0.942 309 K CB -0.408 31.971 32.500 -0.201 0.000 0.724 309 K HN 0.531 nan 8.250 nan 0.000 0.446 310 L N 1.204 122.419 121.223 -0.012 0.000 2.046 310 L HA -0.078 4.265 4.340 0.006 0.000 0.208 310 L C 2.013 178.902 176.870 0.032 0.000 1.077 310 L CA 1.395 56.245 54.840 0.017 0.000 0.747 310 L CB -0.346 41.772 42.059 0.098 0.000 0.896 310 L HN 0.072 nan 8.230 nan 0.000 0.432 311 I N -0.898 119.700 120.570 0.045 0.000 2.179 311 I HA -0.325 3.848 4.170 0.006 0.000 0.242 311 I C 2.582 178.743 176.117 0.073 0.000 1.088 311 I CA 1.570 62.919 61.300 0.082 0.000 1.357 311 I CB -0.353 37.690 38.000 0.072 0.000 1.051 311 I HN 0.467 nan 8.210 nan 0.000 0.409 312 Q N 0.914 120.717 119.800 0.006 0.000 2.077 312 Q HA -0.288 4.056 4.340 0.006 0.000 0.206 312 Q C 2.335 178.353 176.000 0.029 0.000 0.989 312 Q CA 2.088 57.881 55.803 -0.017 0.000 0.853 312 Q CB -0.187 28.475 28.738 -0.126 0.000 0.907 312 Q HN 0.422 nan 8.270 nan 0.000 0.418 313 L N 0.321 121.556 121.223 0.020 0.000 2.017 313 L HA -0.182 4.161 4.340 0.006 0.000 0.208 313 L C 2.223 179.164 176.870 0.119 0.000 1.073 313 L CA 1.881 56.742 54.840 0.034 0.000 0.745 313 L CB -0.415 41.547 42.059 -0.162 0.000 0.894 313 L HN 0.339 nan 8.230 nan 0.000 0.432 314 M N -0.585 119.150 119.600 0.225 0.000 2.117 314 M HA -0.204 4.279 4.480 0.006 0.000 0.262 314 M C 1.984 178.515 176.300 0.385 0.000 1.065 314 M CA 1.695 57.305 55.300 0.517 0.000 1.114 314 M CB -0.681 32.230 32.600 0.517 0.000 1.361 314 M HN 0.334 nan 8.290 nan 0.000 0.408 315 N N 0.884 119.713 118.700 0.215 0.000 2.069 315 N HA -0.193 4.550 4.740 0.006 0.000 0.191 315 N C 1.561 177.076 175.510 0.008 0.000 1.031 315 N CA 1.844 54.941 53.050 0.078 0.000 0.852 315 N CB -0.549 37.982 38.487 0.074 0.000 1.018 315 N HN 0.601 nan 8.380 nan 0.000 0.423 316 E N -0.085 120.146 120.200 0.052 0.000 2.285 316 E HA -0.029 4.324 4.350 0.006 0.000 0.194 316 E C -0.136 176.480 176.600 0.026 0.000 0.997 316 E CA 0.515 56.936 56.400 0.035 0.000 0.845 316 E CB -0.338 29.397 29.700 0.058 0.000 0.782 316 E HN -0.016 nan 8.360 nan 0.000 0.491 317 T N 3.004 117.588 114.554 0.050 0.000 2.870 317 T HA 0.230 4.584 4.350 0.006 0.000 0.300 317 T C 0.316 175.007 174.700 -0.015 0.000 0.989 317 T CA -0.192 61.887 62.100 -0.035 0.000 1.139 317 T CB 1.295 70.053 68.868 -0.182 0.000 0.920 317 T HN 0.204 nan 8.240 nan 0.000 0.537 318 V N 1.206 121.103 119.914 -0.029 0.000 3.170 318 V HA 0.346 4.470 4.120 0.006 0.000 0.309 318 V C 1.077 177.253 176.094 0.135 0.000 1.071 318 V CA -0.715 61.605 62.300 0.033 0.000 1.063 318 V CB 0.744 32.570 31.823 0.004 0.000 1.123 318 V HN 0.612 nan 8.190 nan 0.000 0.464 319 D N 2.484 122.979 120.400 0.158 0.000 2.116 319 D HA -0.106 4.538 4.640 0.006 0.000 0.193 319 D C 2.116 178.498 176.300 0.137 0.000 0.998 319 D CA 2.185 56.311 54.000 0.210 0.000 0.836 319 D CB -0.706 40.166 40.800 0.119 0.000 0.951 319 D HN 0.870 nan 8.370 nan 0.000 0.449 320 G N 0.913 109.741 108.800 0.046 0.000 2.469 320 G HA2 -0.278 3.685 3.960 0.006 0.000 0.219 320 G HA3 -0.278 3.685 3.960 0.006 0.000 0.219 320 G C 1.342 176.184 174.900 -0.096 0.000 1.150 320 G CA 1.070 46.165 45.100 -0.009 0.000 0.763 320 G HN 0.178 nan 8.290 nan 0.000 0.561 321 D N -0.345 119.947 120.400 -0.179 0.000 2.144 321 D HA -0.064 4.580 4.640 0.006 0.000 0.200 321 D C 2.139 177.945 176.300 -0.822 0.000 0.978 321 D CA 0.651 54.370 54.000 -0.468 0.000 0.833 321 D CB -0.271 40.280 40.800 -0.415 0.000 0.961 321 D HN 0.372 nan 8.370 nan 0.000 0.470 322 Y N 1.465 121.562 120.300 -0.339 0.000 2.224 322 Y HA -0.146 4.407 4.550 0.007 0.000 0.289 322 Y C 2.539 178.396 175.900 -0.072 0.000 1.146 322 Y CA 0.969 59.008 58.100 -0.101 0.000 1.182 322 Y CB -0.216 38.368 38.460 0.206 0.000 0.983 322 Y HN -0.043 nan 8.280 nan 0.000 0.524 323 Q N -0.875 118.976 119.800 0.084 0.000 2.230 323 Q HA -0.105 4.238 4.340 0.006 0.000 0.202 323 Q C 2.178 178.175 176.000 -0.005 0.000 0.963 323 Q CA 1.520 57.366 55.803 0.072 0.000 0.866 323 Q CB -0.711 28.065 28.738 0.063 0.000 0.931 323 Q HN 0.435 nan 8.270 nan 0.000 0.452 324 T N 1.047 115.507 114.554 -0.158 0.000 2.821 324 T HA -0.080 4.273 4.350 0.006 0.000 0.267 324 T C 1.425 176.055 174.700 -0.116 0.000 1.046 324 T CA 0.886 62.871 62.100 -0.190 0.000 1.139 324 T CB -0.205 68.496 68.868 -0.279 0.000 0.871 324 T HN 0.129 nan 8.240 nan 0.000 0.454 325 F N 2.316 122.314 119.950 0.079 0.000 2.102 325 F HA -0.011 4.519 4.527 0.005 0.000 0.298 325 F C 2.226 178.177 175.800 0.251 0.000 1.105 325 F CA 0.862 58.953 58.000 0.151 0.000 1.239 325 F CB -0.987 38.149 39.000 0.226 0.000 0.991 325 F HN 0.226 nan 8.300 nan 0.000 0.474 326 K N 0.593 121.224 120.400 0.386 0.000 2.442 326 K HA -0.105 4.218 4.320 0.006 0.000 0.198 326 K C 1.595 178.419 176.600 0.372 0.000 1.044 326 K CA 1.476 57.949 56.287 0.310 0.000 0.948 326 K CB -0.690 31.917 32.500 0.178 0.000 0.762 326 K HN 0.258 nan 8.250 nan 0.000 0.472 327 S N -1.021 114.825 115.700 0.242 0.000 2.503 327 S HA 0.136 4.610 4.470 0.006 0.000 0.217 327 S C 1.017 175.669 174.600 0.085 0.000 0.999 327 S CA -0.444 57.841 58.200 0.143 0.000 0.914 327 S CB 0.058 63.278 63.200 0.034 0.000 0.782 327 S HN 0.099 nan 8.310 nan 0.000 0.520 328 K N 1.978 122.414 120.400 0.060 0.000 3.336 328 K HA 0.401 4.725 4.320 0.006 0.000 0.260 328 K C 0.021 176.392 176.600 -0.382 0.000 1.053 328 K CA 0.100 56.293 56.287 -0.158 0.000 1.662 328 K CB -0.388 31.820 32.500 -0.487 0.000 2.392 328 K HN 0.564 nan 8.250 nan 0.000 0.748 329 D N -2.983 117.147 120.400 -0.450 0.000 2.752 329 D HA 0.206 4.849 4.640 0.006 0.000 0.313 329 D C 1.028 177.104 176.300 -0.373 0.000 1.225 329 D CA -0.331 53.031 54.000 -1.062 0.000 0.976 329 D CB 0.055 40.477 40.800 -0.631 0.000 1.443 329 D HN 0.331 nan 8.370 nan 0.000 0.515 330 G N -0.114 108.517 108.800 -0.282 0.000 2.446 330 G HA2 -0.112 3.851 3.960 0.006 0.000 0.217 330 G HA3 -0.112 3.851 3.960 0.006 0.000 0.217 330 G C 1.418 176.427 174.900 0.181 0.000 1.168 330 G CA 1.959 47.178 45.100 0.199 0.000 0.771 330 G HN 0.705 nan 8.290 nan 0.000 0.551 331 A N -0.183 122.692 122.820 0.091 0.000 1.902 331 A HA -0.059 4.265 4.320 0.006 0.000 0.217 331 A C 2.230 179.920 177.584 0.178 0.000 1.181 331 A CA 1.754 53.853 52.037 0.104 0.000 0.623 331 A CB -0.674 18.360 19.000 0.058 0.000 0.818 331 A HN 0.465 nan 8.150 nan 0.000 0.443 332 Y N 0.514 120.892 120.300 0.130 0.000 2.181 332 Y HA -0.166 4.386 4.550 0.004 0.000 0.288 332 Y C 2.377 178.476 175.900 0.333 0.000 1.146 332 Y CA 1.854 60.125 58.100 0.284 0.000 1.164 332 Y CB -0.259 38.353 38.460 0.253 0.000 0.982 332 Y HN 0.074 nan 8.280 nan 0.000 0.515 333 V N 0.786 120.998 119.914 0.498 0.000 2.427 333 V HA -0.270 3.853 4.120 0.006 0.000 0.248 333 V C 2.524 178.800 176.094 0.302 0.000 1.051 333 V CA 2.133 64.621 62.300 0.313 0.000 1.048 333 V CB -0.694 31.328 31.823 0.331 0.000 0.666 333 V HN 0.341 nan 8.190 nan 0.000 0.456 334 R N 0.076 120.732 120.500 0.259 0.000 2.081 334 R HA -0.227 4.116 4.340 0.006 0.000 0.235 334 R C 2.343 178.694 176.300 0.086 0.000 1.131 334 R CA 2.186 58.399 56.100 0.188 0.000 0.960 334 R CB -0.131 30.215 30.300 0.077 0.000 0.856 334 R HN 0.691 nan 8.270 nan 0.000 0.436 335 E N -0.938 119.245 120.200 -0.028 0.000 2.033 335 E HA -0.164 4.189 4.350 0.006 0.000 0.189 335 E C 1.425 177.809 176.600 -0.360 0.000 0.979 335 E CA 1.240 57.486 56.400 -0.256 0.000 0.802 335 E CB 0.058 29.477 29.700 -0.467 0.000 0.763 335 E HN 0.547 nan 8.360 nan 0.000 0.449 336 H N -1.805 117.200 119.070 -0.108 0.000 2.544 336 H HA 0.115 4.674 4.556 0.005 0.000 0.269 336 H C 0.848 176.214 175.328 0.062 0.000 0.970 336 H CA 0.788 56.814 56.048 -0.036 0.000 1.219 336 H CB 0.312 30.064 29.762 -0.017 0.000 1.421 336 H HN 0.172 nan 8.280 nan 0.000 0.555 337 F N -0.697 119.176 119.950 -0.128 0.000 2.484 337 F HA 0.117 4.647 4.527 0.005 0.000 0.268 337 F C 1.298 176.931 175.800 -0.277 0.000 0.965 337 F CA 0.094 57.902 58.000 -0.320 0.000 1.119 337 F CB -0.584 37.958 39.000 -0.764 0.000 1.153 337 F HN -0.077 nan 8.300 nan 0.000 0.689 338 F N 1.121 121.012 119.950 -0.099 0.000 2.269 338 F HA 0.018 4.548 4.527 0.005 0.000 0.301 338 F C 2.542 178.233 175.800 -0.181 0.000 1.082 338 F CA 1.378 59.271 58.000 -0.179 0.000 1.360 338 F CB -1.241 37.706 39.000 -0.088 0.000 1.041 338 F HN 0.172 nan 8.300 nan 0.000 0.512 339 G N -1.074 107.720 108.800 -0.011 0.000 2.776 339 G HA2 -0.163 3.801 3.960 0.006 0.000 0.209 339 G HA3 -0.163 3.801 3.960 0.006 0.000 0.209 339 G C 1.607 176.391 174.900 -0.194 0.000 1.145 339 G CA 0.200 45.246 45.100 -0.090 0.000 0.791 339 G HN 0.119 nan 8.290 nan 0.000 0.530 340 K N -0.365 119.845 120.400 -0.317 0.000 2.148 340 K HA 0.079 4.403 4.320 0.006 0.000 0.204 340 K C -0.419 175.671 176.600 -0.850 0.000 1.050 340 K CA 0.556 56.473 56.287 -0.616 0.000 0.942 340 K CB -0.110 31.902 32.500 -0.813 0.000 0.724 340 K HN 0.388 nan 8.250 nan 0.000 0.446 341 Y N -1.980 118.266 120.300 -0.090 0.000 2.534 341 Y HA 0.249 4.803 4.550 0.007 0.000 0.345 341 Y C -1.971 173.902 175.900 -0.044 0.000 1.031 341 Y CA -2.750 55.312 58.100 -0.065 0.000 1.022 341 Y CB 1.715 40.131 38.460 -0.074 0.000 1.292 341 Y HN -0.180 nan 8.280 nan 0.000 0.459 342 P HA -0.181 nan 4.420 nan 0.000 0.215 342 P C 1.129 178.464 177.300 0.059 0.000 1.153 342 P CA 2.033 65.171 63.100 0.063 0.000 0.853 342 P CB 0.411 32.140 31.700 0.049 0.000 0.788 343 E N -0.409 119.833 120.200 0.070 0.000 2.150 343 E HA -0.128 4.226 4.350 0.006 0.000 0.193 343 E C 1.634 178.270 176.600 0.059 0.000 0.985 343 E CA 1.968 58.394 56.400 0.043 0.000 0.814 343 E CB -1.795 27.914 29.700 0.015 0.000 0.752 343 E HN 0.341 nan 8.360 nan 0.000 0.466 344 T N -0.619 114.000 114.554 0.108 0.000 2.942 344 T HA 0.221 4.574 4.350 0.006 0.000 0.265 344 T C 2.203 176.996 174.700 0.155 0.000 1.062 344 T CA 0.983 63.173 62.100 0.151 0.000 1.139 344 T CB -0.201 68.746 68.868 0.132 0.000 0.883 344 T HN 0.238 nan 8.240 nan 0.000 0.468 345 A N 1.880 124.753 122.820 0.088 0.000 1.933 345 A HA 0.359 4.682 4.320 0.006 0.000 0.218 345 A C 2.748 180.308 177.584 -0.039 0.000 1.175 345 A CA 1.632 53.685 52.037 0.028 0.000 0.628 345 A CB -1.278 17.727 19.000 0.008 0.000 0.814 345 A HN 0.704 nan 8.150 nan 0.000 0.444 346 A N -0.242 122.567 122.820 -0.018 0.000 2.015 346 A HA 0.037 4.360 4.320 0.006 0.000 0.219 346 A C 2.030 179.571 177.584 -0.072 0.000 1.163 346 A CA 1.257 53.275 52.037 -0.032 0.000 0.646 346 A CB -0.545 18.452 19.000 -0.005 0.000 0.806 346 A HN 0.486 nan 8.150 nan 0.000 0.448 347 L N -0.373 120.786 121.223 -0.106 0.000 2.275 347 L HA -0.101 4.243 4.340 0.006 0.000 0.215 347 L C 1.748 178.347 176.870 -0.451 0.000 1.119 347 L CA 1.258 55.985 54.840 -0.189 0.000 0.790 347 L CB -0.238 41.733 42.059 -0.147 0.000 0.919 347 L HN 0.438 nan 8.230 nan 0.000 0.443 348 V N -5.689 113.883 119.914 -0.570 0.000 3.253 348 V HA 0.412 4.536 4.120 0.006 0.000 0.320 348 V C 1.993 177.933 176.094 -0.257 0.000 1.442 348 V CA 0.332 62.145 62.300 -0.811 0.000 1.097 348 V CB -0.003 31.057 31.823 -1.272 0.000 1.008 348 V HN 0.117 nan 8.190 nan 0.000 0.463 349 A N 2.370 125.115 122.820 -0.125 0.000 1.948 349 A HA -0.226 4.098 4.320 0.006 0.000 0.220 349 A C 1.840 179.453 177.584 0.049 0.000 1.177 349 A CA 2.206 54.225 52.037 -0.030 0.000 0.636 349 A CB -0.590 18.400 19.000 -0.018 0.000 0.815 349 A HN 0.784 nan 8.150 nan 0.000 0.449 350 D N -2.588 117.891 120.400 0.131 0.000 2.349 350 D HA -0.008 4.635 4.640 0.006 0.000 0.224 350 D C -0.243 176.192 176.300 0.226 0.000 1.029 350 D CA -0.112 53.987 54.000 0.165 0.000 0.879 350 D CB -0.190 40.705 40.800 0.159 0.000 0.906 350 D HN 0.514 nan 8.370 nan 0.000 0.528 351 W N 2.273 123.509 121.300 -0.106 0.000 2.512 351 W HA 0.330 4.994 4.660 0.006 0.000 0.335 351 W C 0.814 177.285 176.519 -0.080 0.000 1.088 351 W CA -0.940 56.339 57.345 -0.109 0.000 1.236 351 W CB 0.997 30.352 29.460 -0.174 0.000 1.307 351 W HN -0.252 nan 8.180 nan 0.000 0.567 352 T N -1.610 113.015 114.554 0.119 0.000 2.849 352 T HA 0.098 4.452 4.350 0.006 0.000 0.284 352 T C 0.709 175.484 174.700 0.126 0.000 1.004 352 T CA -0.456 61.691 62.100 0.078 0.000 1.021 352 T CB 1.166 70.049 68.868 0.025 0.000 1.013 352 T HN 0.353 nan 8.240 nan 0.000 0.527 353 D N 0.613 121.070 120.400 0.096 0.000 2.218 353 D HA -0.057 4.587 4.640 0.006 0.000 0.204 353 D C 1.864 178.267 176.300 0.171 0.000 0.976 353 D CA 1.040 55.112 54.000 0.120 0.000 0.853 353 D CB -0.068 40.773 40.800 0.070 0.000 0.939 353 D HN 0.668 nan 8.370 nan 0.000 0.481 354 E N 0.629 120.908 120.200 0.131 0.000 2.106 354 E HA -0.117 4.236 4.350 0.006 0.000 0.192 354 E C 2.099 178.812 176.600 0.188 0.000 0.984 354 E CA 0.723 57.219 56.400 0.161 0.000 0.806 354 E CB -0.174 29.578 29.700 0.086 0.000 0.750 354 E HN 0.384 nan 8.360 nan 0.000 0.458 355 Q N -0.183 119.699 119.800 0.137 0.000 2.119 355 Q HA -0.027 4.316 4.340 0.006 0.000 0.201 355 Q C 2.157 178.347 176.000 0.317 0.000 0.972 355 Q CA 0.862 56.731 55.803 0.110 0.000 0.847 355 Q CB -0.042 28.642 28.738 -0.090 0.000 0.903 355 Q HN 0.319 nan 8.270 nan 0.000 0.433 356 I N -0.258 120.536 120.570 0.372 0.000 2.252 356 I HA -0.265 3.909 4.170 0.006 0.000 0.245 356 I C 2.084 178.367 176.117 0.275 0.000 1.102 356 I CA 0.986 62.446 61.300 0.268 0.000 1.385 356 I CB -0.327 37.769 38.000 0.160 0.000 1.064 356 I HN 0.484 nan 8.210 nan 0.000 0.414 357 W N 1.610 122.977 121.300 0.111 0.000 2.465 357 W HA -0.156 4.508 4.660 0.007 0.000 0.268 357 W C 2.263 178.846 176.519 0.105 0.000 1.242 357 W CA 1.024 58.435 57.345 0.109 0.000 1.248 357 W CB 0.211 29.725 29.460 0.091 0.000 1.118 357 W HN 0.137 nan 8.180 nan 0.000 0.587 358 A N 0.557 123.435 122.820 0.097 0.000 2.066 358 A HA 0.005 4.328 4.320 0.006 0.000 0.218 358 A C 1.073 178.653 177.584 -0.006 0.000 1.157 358 A CA 0.309 52.352 52.037 0.011 0.000 0.670 358 A CB -0.807 18.222 19.000 0.048 0.000 0.804 358 A HN 0.156 nan 8.150 nan 0.000 0.453 359 L N 1.513 122.726 121.223 -0.016 0.000 2.559 359 L HA 0.009 4.353 4.340 0.006 0.000 0.274 359 L C 0.307 177.293 176.870 0.193 0.000 1.205 359 L CA -0.101 54.709 54.840 -0.051 0.000 0.907 359 L CB -0.134 41.694 42.059 -0.385 0.000 1.153 359 L HN 0.345 nan 8.230 nan 0.000 0.490 360 N N 3.014 121.944 118.700 0.383 0.000 2.453 360 N HA 0.443 5.186 4.740 0.006 0.000 0.290 360 N C -0.698 175.115 175.510 0.506 0.000 1.250 360 N CA -0.768 52.489 53.050 0.346 0.000 0.815 360 N CB 1.590 40.213 38.487 0.226 0.000 1.381 360 N HN 0.379 nan 8.380 nan 0.000 0.510 361 R N -0.612 120.047 120.500 0.266 0.000 2.531 361 R HA 0.314 4.657 4.340 0.006 0.000 0.273 361 R C 1.303 177.633 176.300 0.052 0.000 1.070 361 R CA -0.185 55.941 56.100 0.044 0.000 1.112 361 R CB 0.403 30.477 30.300 -0.376 0.000 1.049 361 R HN 0.750 nan 8.270 nan 0.000 0.508 362 G N 1.361 110.114 108.800 -0.077 0.000 2.469 362 G HA2 -0.266 3.698 3.960 0.006 0.000 0.220 362 G HA3 -0.266 3.698 3.960 0.006 0.000 0.220 362 G C 1.247 176.088 174.900 -0.098 0.000 1.136 362 G CA 0.863 45.929 45.100 -0.057 0.000 0.759 362 G HN 0.747 nan 8.290 nan 0.000 0.562 363 G N -1.135 107.534 108.800 -0.218 0.000 2.708 363 G HA2 -0.035 3.928 3.960 0.006 0.000 0.210 363 G HA3 -0.035 3.928 3.960 0.006 0.000 0.210 363 G C 1.173 175.802 174.900 -0.452 0.000 1.141 363 G CA 0.394 45.308 45.100 -0.311 0.000 0.788 363 G HN 0.567 nan 8.290 nan 0.000 0.531 364 H N -0.766 118.218 119.070 -0.143 0.000 2.755 364 H HA 0.122 4.681 4.556 0.006 0.000 0.273 364 H C -0.474 174.824 175.328 -0.050 0.000 1.055 364 H CA -0.232 55.705 56.048 -0.184 0.000 1.191 364 H CB 1.126 30.689 29.762 -0.333 0.000 1.536 364 H HN 0.248 nan 8.280 nan 0.000 0.529 365 D N 1.245 121.685 120.400 0.068 0.000 2.414 365 D HA 0.154 4.798 4.640 0.006 0.000 0.232 365 D C -1.920 174.416 176.300 0.060 0.000 1.070 365 D CA -2.220 51.826 54.000 0.077 0.000 0.839 365 D CB 2.318 43.182 40.800 0.107 0.000 1.079 365 D HN -0.039 nan 8.370 nan 0.000 0.521 366 P HA -0.153 nan 4.420 nan 0.000 0.216 366 P C 1.135 178.510 177.300 0.126 0.000 1.150 366 P CA 1.309 64.427 63.100 0.031 0.000 0.843 366 P CB 0.442 32.004 31.700 -0.230 0.000 0.787 367 K N -0.496 119.913 120.400 0.016 0.000 2.057 367 K HA -0.126 4.198 4.320 0.006 0.000 0.207 367 K C 1.922 178.667 176.600 0.241 0.000 1.049 367 K CA 1.172 57.557 56.287 0.165 0.000 0.931 367 K CB -0.183 32.363 32.500 0.077 0.000 0.714 367 K HN 0.050 nan 8.250 nan 0.000 0.440 368 K N 0.872 121.368 120.400 0.161 0.000 2.057 368 K HA -0.049 4.275 4.320 0.006 0.000 0.206 368 K C 2.119 178.797 176.600 0.130 0.000 1.050 368 K CA 1.051 57.414 56.287 0.126 0.000 0.935 368 K CB -0.329 32.217 32.500 0.076 0.000 0.715 368 K HN 0.186 nan 8.250 nan 0.000 0.439 369 I N 0.034 120.706 120.570 0.168 0.000 2.142 369 I HA -0.321 3.853 4.170 0.006 0.000 0.240 369 I C 2.435 178.751 176.117 0.330 0.000 1.078 369 I CA 1.304 62.730 61.300 0.210 0.000 1.343 369 I CB -0.423 37.724 38.000 0.244 0.000 1.046 369 I HN 0.025 nan 8.210 nan 0.000 0.405 370 Y N 1.770 122.264 120.300 0.324 0.000 2.114 370 Y HA -0.376 4.178 4.550 0.006 0.000 0.282 370 Y C 2.556 178.617 175.900 0.268 0.000 1.165 370 Y CA 1.721 60.049 58.100 0.380 0.000 1.148 370 Y CB -0.469 38.214 38.460 0.372 0.000 0.972 370 Y HN 0.153 nan 8.280 nan 0.000 0.504 371 A N 0.380 123.384 122.820 0.307 0.000 1.917 371 A HA -0.229 4.094 4.320 0.006 0.000 0.219 371 A C 2.430 180.004 177.584 -0.017 0.000 1.182 371 A CA 2.338 54.466 52.037 0.152 0.000 0.633 371 A CB -1.601 17.490 19.000 0.152 0.000 0.819 371 A HN 0.653 nan 8.150 nan 0.000 0.448 372 A N -1.208 121.569 122.820 -0.073 0.000 1.858 372 A HA 0.010 4.334 4.320 0.006 0.000 0.216 372 A C 1.985 179.340 177.584 -0.382 0.000 1.190 372 A CA 1.509 53.399 52.037 -0.245 0.000 0.617 372 A CB -0.820 17.973 19.000 -0.346 0.000 0.827 372 A HN 0.477 nan 8.150 nan 0.000 0.443 373 F N -0.083 119.635 119.950 -0.387 0.000 2.216 373 F HA -0.124 4.406 4.527 0.006 0.000 0.300 373 F C 2.304 177.796 175.800 -0.513 0.000 1.085 373 F CA 1.767 59.368 58.000 -0.665 0.000 1.326 373 F CB -0.049 38.075 39.000 -1.460 0.000 1.027 373 F HN 0.120 nan 8.300 nan 0.000 0.497 374 K N 0.909 121.202 120.400 -0.178 0.000 2.062 374 K HA -0.156 4.168 4.320 0.006 0.000 0.205 374 K C 1.969 178.557 176.600 -0.021 0.000 1.051 374 K CA 1.225 57.506 56.287 -0.011 0.000 0.941 374 K CB -0.194 32.223 32.500 -0.139 0.000 0.719 374 K HN -0.076 nan 8.250 nan 0.000 0.440 375 K N 0.228 120.586 120.400 -0.070 0.000 2.097 375 K HA 0.060 4.384 4.320 0.006 0.000 0.205 375 K C 1.741 178.293 176.600 -0.080 0.000 1.050 375 K CA 1.412 57.662 56.287 -0.061 0.000 0.938 375 K CB -0.544 31.912 32.500 -0.073 0.000 0.718 375 K HN 0.152 nan 8.250 nan 0.000 0.442 376 A N 0.625 123.369 122.820 -0.128 0.000 1.908 376 A HA -0.246 4.077 4.320 0.006 0.000 0.218 376 A C 2.183 179.722 177.584 -0.075 0.000 1.181 376 A CA 1.867 53.825 52.037 -0.131 0.000 0.627 376 A CB -0.741 18.145 19.000 -0.190 0.000 0.818 376 A HN 0.576 nan 8.150 nan 0.000 0.445 377 Q N -0.556 119.232 119.800 -0.019 0.000 2.234 377 Q HA -0.228 4.116 4.340 0.006 0.000 0.206 377 Q C 1.657 177.662 176.000 0.009 0.000 0.980 377 Q CA 1.874 57.698 55.803 0.036 0.000 0.869 377 Q CB -0.081 28.743 28.738 0.142 0.000 0.912 377 Q HN 0.824 nan 8.270 nan 0.000 0.436 378 E N -0.743 119.453 120.200 -0.006 0.000 2.318 378 E HA 0.018 4.372 4.350 0.006 0.000 0.193 378 E C -0.087 176.494 176.600 -0.032 0.000 0.998 378 E CA 0.318 56.711 56.400 -0.011 0.000 0.859 378 E CB 0.474 30.171 29.700 -0.004 0.000 0.812 378 E HN 0.117 nan 8.360 nan 0.000 0.492 379 T N 2.746 117.268 114.554 -0.052 0.000 2.799 379 T HA 0.141 4.494 4.350 0.006 0.000 0.296 379 T C 0.047 174.696 174.700 -0.084 0.000 0.947 379 T CA -0.038 62.020 62.100 -0.069 0.000 1.141 379 T CB 0.601 69.418 68.868 -0.085 0.000 0.891 379 T HN -0.137 nan 8.240 nan 0.000 0.533 380 K N 1.291 121.645 120.400 -0.077 0.000 2.295 380 K HA 0.676 4.999 4.320 0.006 0.000 0.239 380 K C 1.249 177.791 176.600 -0.097 0.000 0.991 380 K CA -0.723 55.513 56.287 -0.085 0.000 0.845 380 K CB 1.417 33.880 32.500 -0.061 0.000 1.197 380 K HN 0.698 nan 8.250 nan 0.000 0.441 381 G N 0.735 109.471 108.800 -0.106 0.000 2.184 381 G HA2 -0.322 3.641 3.960 0.006 0.000 0.264 381 G HA3 -0.322 3.641 3.960 0.006 0.000 0.264 381 G C -0.095 174.712 174.900 -0.155 0.000 0.975 381 G CA 1.316 46.350 45.100 -0.111 0.000 0.642 381 G HN 0.696 nan 8.290 nan 0.000 0.536 382 K N -1.659 118.618 120.400 -0.205 0.000 2.658 382 K HA 0.772 5.096 4.320 0.006 0.000 0.293 382 K C -0.278 176.075 176.600 -0.411 0.000 1.026 382 K CA -0.465 55.637 56.287 -0.308 0.000 0.871 382 K CB 0.631 32.987 32.500 -0.240 0.000 1.524 382 K HN 1.260 nan 8.250 nan 0.000 0.400 383 A N 0.825 123.212 122.820 -0.721 0.000 2.287 383 A HA 0.602 4.926 4.320 0.006 0.000 0.273 383 A C -0.563 176.729 177.584 -0.486 0.000 1.091 383 A CA -0.294 51.224 52.037 -0.864 0.000 0.817 383 A CB 0.788 18.714 19.000 -1.791 0.000 1.069 383 A HN 0.586 nan 8.150 nan 0.000 0.492 384 T N 0.693 115.103 114.554 -0.240 0.000 2.829 384 T HA 0.554 4.907 4.350 0.006 0.000 0.280 384 T C -0.499 174.279 174.700 0.131 0.000 0.999 384 T CA -0.301 61.792 62.100 -0.012 0.000 0.983 384 T CB 1.206 70.001 68.868 -0.121 0.000 0.968 384 T HN 1.133 nan 8.240 nan 0.000 0.446 385 V N 1.614 121.571 119.914 0.073 0.000 2.448 385 V HA 0.684 4.808 4.120 0.006 0.000 0.295 385 V C -0.496 175.442 176.094 -0.260 0.000 1.025 385 V CA -0.962 61.244 62.300 -0.156 0.000 0.859 385 V CB 1.096 32.548 31.823 -0.618 0.000 0.988 385 V HN 0.837 nan 8.190 nan 0.000 0.431 386 I N 5.556 125.940 120.570 -0.309 0.000 2.321 386 I HA 0.408 4.581 4.170 0.006 0.000 0.291 386 I C -0.438 175.478 176.117 -0.336 0.000 0.998 386 I CA -0.434 60.645 61.300 -0.368 0.000 1.227 386 I CB 1.666 39.341 38.000 -0.542 0.000 1.368 386 I HN 0.494 nan 8.210 nan 0.000 0.466 387 L N 7.006 128.044 121.223 -0.308 0.000 2.272 387 L HA 0.533 4.876 4.340 0.006 0.000 0.284 387 L C 0.298 177.007 176.870 -0.269 0.000 1.045 387 L CA -0.466 54.206 54.840 -0.280 0.000 0.842 387 L CB 0.994 42.891 42.059 -0.271 0.000 1.224 387 L HN 0.623 nan 8.230 nan 0.000 0.430 388 A N 2.816 125.496 122.820 -0.233 0.000 2.260 388 A HA 0.246 4.569 4.320 0.006 0.000 0.312 388 A C -0.333 177.146 177.584 -0.173 0.000 1.321 388 A CA -0.374 51.536 52.037 -0.211 0.000 0.928 388 A CB -0.072 18.817 19.000 -0.184 0.000 1.158 388 A HN 0.774 nan 8.150 nan 0.000 0.542 389 H N 2.792 121.647 119.070 -0.358 0.000 2.819 389 H HA 0.370 4.929 4.556 0.006 0.000 0.303 389 H C 0.392 175.535 175.328 -0.309 0.000 1.058 389 H CA 0.892 56.711 56.048 -0.382 0.000 1.471 389 H CB 0.561 29.954 29.762 -0.614 0.000 1.480 389 H HN 0.809 nan 8.280 nan 0.000 0.517 390 T N 2.339 116.748 114.554 -0.242 0.000 2.812 390 T HA 0.444 4.797 4.350 0.006 0.000 0.294 390 T C -0.423 174.274 174.700 -0.005 0.000 1.159 390 T CA -0.996 60.967 62.100 -0.229 0.000 1.008 390 T CB 1.464 70.148 68.868 -0.307 0.000 1.289 390 T HN 0.416 nan 8.240 nan 0.000 0.514 391 I N 1.390 122.154 120.570 0.322 0.000 2.355 391 I HA 0.383 4.557 4.170 0.006 0.000 0.288 391 I C 0.248 176.507 176.117 0.236 0.000 0.999 391 I CA -0.937 60.493 61.300 0.217 0.000 1.163 391 I CB 1.597 39.719 38.000 0.203 0.000 1.316 391 I HN 0.661 nan 8.210 nan 0.000 0.454 392 K N 5.126 125.631 120.400 0.175 0.000 2.412 392 K HA 0.282 4.605 4.320 0.006 0.000 0.281 392 K C 1.034 177.758 176.600 0.206 0.000 1.027 392 K CA 0.824 57.220 56.287 0.181 0.000 0.989 392 K CB 0.500 33.092 32.500 0.152 0.000 0.935 392 K HN 0.890 nan 8.250 nan 0.000 0.475 393 G N 3.202 112.140 108.800 0.229 0.000 2.148 393 G HA2 -0.329 3.635 3.960 0.006 0.000 0.254 393 G HA3 -0.329 3.635 3.960 0.006 0.000 0.254 393 G C -0.231 174.830 174.900 0.269 0.000 0.981 393 G CA 0.297 45.534 45.100 0.227 0.000 0.670 393 G HN 0.783 nan 8.290 nan 0.000 0.528 394 Y N 0.743 121.133 120.300 0.151 0.000 2.944 394 Y HA 0.221 4.774 4.550 0.006 0.000 0.340 394 Y C 1.678 177.722 175.900 0.241 0.000 1.275 394 Y CA 1.747 59.921 58.100 0.123 0.000 1.590 394 Y CB 0.149 38.663 38.460 0.090 0.000 1.218 394 Y HN 1.542 nan 8.280 nan 0.000 0.576 395 G N 4.956 113.593 108.800 -0.272 0.000 2.175 395 G HA2 -0.359 3.605 3.960 0.006 0.000 0.265 395 G HA3 -0.359 3.605 3.960 0.006 0.000 0.265 395 G C 0.740 175.722 174.900 0.137 0.000 0.979 395 G CA 0.764 45.731 45.100 -0.221 0.000 0.663 395 G HN 0.688 nan 8.290 nan 0.000 0.533 396 M N -0.060 119.674 119.600 0.224 0.000 2.465 396 M HA 0.321 4.805 4.480 0.006 0.000 0.249 396 M C 2.220 178.682 176.300 0.269 0.000 1.130 396 M CA 0.947 56.418 55.300 0.285 0.000 1.067 396 M CB 0.057 32.789 32.600 0.220 0.000 1.394 396 M HN 0.953 nan 8.290 nan 0.000 0.483 397 G N 1.962 110.894 108.800 0.220 0.000 2.665 397 G HA2 -0.385 3.579 3.960 0.006 0.000 0.326 397 G HA3 -0.385 3.579 3.960 0.006 0.000 0.326 397 G C 0.437 175.356 174.900 0.031 0.000 1.231 397 G CA 0.724 45.886 45.100 0.104 0.000 0.992 397 G HN 0.427 nan 8.290 nan 0.000 0.549 398 D N 1.073 121.422 120.400 -0.083 0.000 2.205 398 D HA -0.178 4.466 4.640 0.006 0.000 0.190 398 D C 2.740 179.044 176.300 0.006 0.000 1.002 398 D CA 2.486 56.454 54.000 -0.052 0.000 0.848 398 D CB -0.817 39.915 40.800 -0.114 0.000 0.975 398 D HN 0.939 nan 8.370 nan 0.000 0.449 399 A N 1.580 124.409 122.820 0.015 0.000 2.194 399 A HA 0.124 4.448 4.320 0.006 0.000 0.220 399 A C 1.227 178.857 177.584 0.077 0.000 1.162 399 A CA 1.615 53.682 52.037 0.051 0.000 0.674 399 A CB -0.767 18.275 19.000 0.070 0.000 0.789 399 A HN 0.602 nan 8.150 nan 0.000 0.470 415 D N 0.198 120.624 120.400 0.044 0.000 2.735 415 D HA 0.564 5.207 4.640 0.006 0.000 0.291 415 D C 0.655 177.000 176.300 0.075 0.000 1.205 415 D CA 0.452 54.489 54.000 0.063 0.000 0.777 415 D CB 1.178 42.009 40.800 0.052 0.000 1.234 415 D HN 0.579 nan 8.370 nan 0.000 0.520 416 G N -0.627 108.226 108.800 0.089 0.000 3.040 416 G HA2 0.032 3.995 3.960 0.006 0.000 0.214 416 G HA3 0.032 3.995 3.960 0.006 0.000 0.214 416 G C 1.349 176.348 174.900 0.165 0.000 1.093 416 G CA 0.181 45.347 45.100 0.111 0.000 0.931 416 G HN 0.308 nan 8.290 nan 0.000 0.632 417 V N -0.863 119.132 119.914 0.134 0.000 2.951 417 V HA 0.185 4.309 4.120 0.006 0.000 0.255 417 V C 2.325 178.575 176.094 0.260 0.000 1.088 417 V CA 1.601 63.992 62.300 0.151 0.000 1.109 417 V CB -0.341 31.522 31.823 0.067 0.000 0.724 417 V HN 0.279 nan 8.190 nan 0.000 0.471 418 R N 0.399 121.024 120.500 0.208 0.000 2.081 418 R HA -0.265 4.078 4.340 0.006 0.000 0.235 418 R C 2.466 178.875 176.300 0.183 0.000 1.131 418 R CA 2.200 58.411 56.100 0.186 0.000 0.960 418 R CB -0.698 29.680 30.300 0.130 0.000 0.856 418 R HN 0.736 nan 8.270 nan 0.000 0.436 419 H N 0.329 119.460 119.070 0.101 0.000 2.352 419 H HA -0.094 4.466 4.556 0.007 0.000 0.299 419 H C 1.862 177.245 175.328 0.091 0.000 1.097 419 H CA 2.390 58.480 56.048 0.070 0.000 1.311 419 H CB -0.154 29.641 29.762 0.055 0.000 1.377 419 H HN 0.257 nan 8.280 nan 0.000 0.504 420 I N 0.081 120.718 120.570 0.112 0.000 2.202 420 I HA -0.216 3.958 4.170 0.006 0.000 0.242 420 I C 2.604 178.885 176.117 0.272 0.000 1.091 420 I CA 1.473 62.886 61.300 0.188 0.000 1.368 420 I CB -0.228 37.983 38.000 0.352 0.000 1.058 420 I HN 0.283 nan 8.210 nan 0.000 0.410 421 R N 0.898 121.608 120.500 0.351 0.000 2.193 421 R HA -0.153 4.191 4.340 0.006 0.000 0.229 421 R C 1.422 177.739 176.300 0.028 0.000 1.110 421 R CA 1.655 57.870 56.100 0.192 0.000 0.988 421 R CB -0.733 29.580 30.300 0.023 0.000 0.871 421 R HN 0.257 nan 8.270 nan 0.000 0.458 422 D N 0.254 120.639 120.400 -0.025 0.000 2.110 422 D HA -0.055 4.588 4.640 0.006 0.000 0.202 422 D C 1.695 177.884 176.300 -0.185 0.000 0.975 422 D CA 0.750 54.697 54.000 -0.089 0.000 0.839 422 D CB -0.269 40.481 40.800 -0.084 0.000 0.996 422 D HN 0.077 nan 8.370 nan 0.000 0.464 423 R N 0.062 120.342 120.500 -0.366 0.000 2.105 423 R HA -0.099 4.245 4.340 0.006 0.000 0.239 423 R C 0.931 176.803 176.300 -0.712 0.000 1.135 423 R CA 0.857 56.574 56.100 -0.639 0.000 0.967 423 R CB -0.392 29.314 30.300 -0.991 0.000 0.861 423 R HN 0.222 nan 8.270 nan 0.000 0.442 424 F N 0.311 120.230 119.950 -0.051 0.000 2.708 424 F HA 0.243 4.773 4.527 0.006 0.000 0.300 424 F C 0.103 175.904 175.800 0.002 0.000 1.118 424 F CA -0.584 57.418 58.000 0.004 0.000 1.307 424 F CB -0.485 38.556 39.000 0.068 0.000 0.986 424 F HN 0.013 nan 8.300 nan 0.000 0.522 425 N N -0.181 118.545 118.700 0.044 0.000 2.707 425 N HA -0.183 4.560 4.740 0.006 0.000 0.253 425 N C -0.602 174.917 175.510 0.015 0.000 0.998 425 N CA 0.047 53.105 53.050 0.015 0.000 0.751 425 N CB -1.228 37.271 38.487 0.020 0.000 0.920 425 N HN 0.026 nan 8.380 nan 0.000 0.539 426 V N 1.372 121.278 119.914 -0.013 0.000 2.572 426 V HA 0.128 4.252 4.120 0.006 0.000 0.291 426 V C -1.002 174.947 176.094 -0.241 0.000 1.039 426 V CA -0.904 61.308 62.300 -0.146 0.000 1.055 426 V CB 1.014 32.653 31.823 -0.307 0.000 0.969 426 V HN 0.204 nan 8.190 nan 0.000 0.482 427 P HA 0.063 nan 4.420 nan 0.000 0.249 427 P C -0.442 176.707 177.300 -0.251 0.000 1.686 427 P CA 0.397 63.391 63.100 -0.177 0.000 0.873 427 P CB 0.267 31.911 31.700 -0.093 0.000 1.828 428 V N 0.167 119.874 119.914 -0.345 0.000 2.378 428 V HA 0.348 4.472 4.120 0.006 0.000 0.288 428 V C 0.257 176.247 176.094 -0.173 0.000 1.016 428 V CA -0.759 61.347 62.300 -0.323 0.000 0.840 428 V CB 1.492 32.964 31.823 -0.585 0.000 0.994 428 V HN 0.261 nan 8.190 nan 0.000 0.431 429 S N 4.175 119.817 115.700 -0.098 0.000 2.558 429 S HA -0.045 4.429 4.470 0.006 0.000 0.291 429 S C 1.172 175.755 174.600 -0.028 0.000 1.306 429 S CA 0.683 58.852 58.200 -0.051 0.000 1.056 429 S CB 0.632 63.813 63.200 -0.031 0.000 0.836 429 S HN 1.005 nan 8.310 nan 0.000 0.504 430 D N 3.374 123.765 120.400 -0.015 0.000 2.264 430 D HA -0.053 4.591 4.640 0.006 0.000 0.208 430 D C 1.519 177.829 176.300 0.017 0.000 0.966 430 D CA 1.287 55.292 54.000 0.008 0.000 0.864 430 D CB -0.208 40.597 40.800 0.008 0.000 0.933 430 D HN 0.669 nan 8.370 nan 0.000 0.499 431 A N -0.097 122.728 122.820 0.009 0.000 2.275 431 A HA 0.059 4.382 4.320 0.006 0.000 0.212 431 A C 1.085 178.678 177.584 0.015 0.000 1.201 431 A CA 0.249 52.293 52.037 0.012 0.000 0.843 431 A CB 0.231 19.234 19.000 0.006 0.000 0.873 431 A HN 0.010 nan 8.150 nan 0.000 0.492 432 D N -1.050 119.361 120.400 0.018 0.000 2.454 432 D HA 0.107 4.750 4.640 0.006 0.000 0.214 432 D C 1.357 177.692 176.300 0.058 0.000 1.088 432 D CA -0.076 53.939 54.000 0.025 0.000 0.855 432 D CB -0.113 40.693 40.800 0.010 0.000 1.025 432 D HN 0.290 nan 8.370 nan 0.000 0.502 433 I N 1.486 122.103 120.570 0.078 0.000 2.236 433 I HA -0.310 3.864 4.170 0.006 0.000 0.249 433 I C 1.918 178.102 176.117 0.112 0.000 1.102 433 I CA 1.439 62.830 61.300 0.152 0.000 1.365 433 I CB 0.052 38.140 38.000 0.148 0.000 1.051 433 I HN -0.121 nan 8.210 nan 0.000 0.420 434 E N 0.296 120.533 120.200 0.062 0.000 2.130 434 E HA -0.258 4.096 4.350 0.006 0.000 0.196 434 E C 1.943 178.551 176.600 0.013 0.000 0.998 434 E CA 1.335 57.755 56.400 0.032 0.000 0.806 434 E CB -0.175 29.537 29.700 0.020 0.000 0.738 434 E HN 0.397 nan 8.360 nan 0.000 0.459 435 K N -0.034 120.375 120.400 0.015 0.000 2.487 435 K HA 0.133 4.456 4.320 0.006 0.000 0.192 435 K C -0.239 176.333 176.600 -0.046 0.000 1.027 435 K CA -0.025 56.253 56.287 -0.014 0.000 1.054 435 K CB 0.028 32.523 32.500 -0.009 0.000 0.824 435 K HN 0.063 nan 8.250 nan 0.000 0.510 436 L N 1.380 122.594 121.223 -0.015 0.000 3.823 436 L HA -0.177 4.167 4.340 0.006 0.000 0.525 436 L C -2.222 174.553 176.870 -0.158 0.000 1.247 436 L CA -0.627 54.163 54.840 -0.084 0.000 0.776 436 L CB -1.365 40.579 42.059 -0.191 0.000 1.443 436 L HN 0.123 nan 8.230 nan 0.000 0.831 437 P HA 0.144 nan 4.420 nan 0.000 0.279 437 P C -0.542 176.834 177.300 0.126 0.000 1.239 437 P CA -0.203 62.897 63.100 -0.000 0.000 0.789 437 P CB 0.725 32.474 31.700 0.082 0.000 0.933 438 Y N 1.327 121.722 120.300 0.158 0.000 2.304 438 Y HA 0.291 4.845 4.550 0.006 0.000 0.327 438 Y C 1.155 177.186 175.900 0.219 0.000 1.209 438 Y CA -0.198 58.005 58.100 0.172 0.000 1.299 438 Y CB 0.414 38.864 38.460 -0.017 0.000 1.249 438 Y HN 0.183 nan 8.280 nan 0.000 0.519 439 I N 2.606 123.418 120.570 0.404 0.000 2.392 439 I HA 0.395 4.568 4.170 0.006 0.000 0.295 439 I C -0.065 176.056 176.117 0.006 0.000 0.985 439 I CA -0.413 60.936 61.300 0.082 0.000 1.221 439 I CB 1.564 39.502 38.000 -0.103 0.000 1.366 439 I HN 0.708 nan 8.210 nan 0.000 0.467 440 T N 1.927 116.372 114.554 -0.182 0.000 2.865 440 T HA 0.620 4.973 4.350 0.006 0.000 0.294 440 T C -0.890 173.562 174.700 -0.413 0.000 1.119 440 T CA -0.684 61.251 62.100 -0.276 0.000 1.007 440 T CB 1.692 70.465 68.868 -0.159 0.000 1.225 440 T HN 0.113 nan 8.240 nan 0.000 0.515 441 F N 2.392 122.366 119.950 0.040 0.000 2.449 441 F HA 0.527 5.057 4.527 0.006 0.000 0.342 441 F C -1.972 173.858 175.800 0.050 0.000 1.127 441 F CA -2.373 55.669 58.000 0.069 0.000 0.975 441 F CB 1.571 40.641 39.000 0.116 0.000 1.146 441 F HN 0.404 nan 8.300 nan 0.000 0.444 442 P HA 0.004 nan 4.420 nan 0.000 0.271 442 P C -0.216 176.971 177.300 -0.189 0.000 1.218 442 P CA -0.277 62.812 63.100 -0.019 0.000 0.780 442 P CB 0.991 32.689 31.700 -0.003 0.000 0.901 443 E N 0.709 120.635 120.200 -0.456 0.000 2.465 443 E HA 0.118 4.471 4.350 0.006 0.000 0.260 443 E C 1.165 177.612 176.600 -0.254 0.000 0.980 443 E CA 1.499 57.464 56.400 -0.726 0.000 0.927 443 E CB -0.117 29.301 29.700 -0.469 0.000 0.934 443 E HN 0.821 nan 8.360 nan 0.000 0.459 444 G N 3.069 111.799 108.800 -0.117 0.000 2.259 444 G HA2 -0.290 3.673 3.960 0.006 0.000 0.217 444 G HA3 -0.290 3.673 3.960 0.006 0.000 0.217 444 G C 0.282 175.205 174.900 0.038 0.000 1.001 444 G CA 0.243 45.337 45.100 -0.010 0.000 0.627 444 G HN 0.767 nan 8.290 nan 0.000 0.501 445 S N 0.439 116.174 115.700 0.058 0.000 2.603 445 S HA 0.558 5.032 4.470 0.006 0.000 0.268 445 S C 1.041 175.687 174.600 0.077 0.000 1.317 445 S CA 0.644 58.890 58.200 0.076 0.000 1.012 445 S CB 1.901 65.170 63.200 0.115 0.000 0.926 445 S HN 0.394 nan 8.310 nan 0.000 0.539 446 E N 1.083 121.299 120.200 0.027 0.000 2.070 446 E HA -0.218 4.135 4.350 0.006 0.000 0.197 446 E C 1.858 178.442 176.600 -0.027 0.000 1.004 446 E CA 1.991 58.395 56.400 0.007 0.000 0.805 446 E CB -0.188 29.492 29.700 -0.033 0.000 0.744 446 E HN 0.789 nan 8.360 nan 0.000 0.451 447 E N -0.217 119.870 120.200 -0.189 0.000 2.051 447 E HA -0.204 4.150 4.350 0.006 0.000 0.192 447 E C 1.970 178.465 176.600 -0.174 0.000 0.991 447 E CA 1.208 57.353 56.400 -0.425 0.000 0.799 447 E CB -0.352 28.524 29.700 -1.372 0.000 0.748 447 E HN 0.325 nan 8.360 nan 0.000 0.449 448 H N 0.390 119.409 119.070 -0.085 0.000 2.319 448 H HA -0.085 4.475 4.556 0.006 0.000 0.299 448 H C 1.672 177.101 175.328 0.169 0.000 1.092 448 H CA 2.045 58.160 56.048 0.112 0.000 1.302 448 H CB -0.046 29.824 29.762 0.179 0.000 1.373 448 H HN 0.142 nan 8.280 nan 0.000 0.497 449 T N 0.446 115.153 114.554 0.255 0.000 2.684 449 T HA -0.204 4.150 4.350 0.006 0.000 0.267 449 T C 1.797 176.556 174.700 0.098 0.000 1.036 449 T CA 1.639 63.849 62.100 0.182 0.000 1.148 449 T CB -0.758 68.202 68.868 0.153 0.000 0.863 449 T HN 0.409 nan 8.240 nan 0.000 0.436 450 Y N 1.566 121.848 120.300 -0.031 0.000 2.145 450 Y HA -0.103 4.451 4.550 0.006 0.000 0.286 450 Y C 2.207 178.052 175.900 -0.092 0.000 1.145 450 Y CA 1.060 59.124 58.100 -0.059 0.000 1.148 450 Y CB -0.586 37.828 38.460 -0.077 0.000 0.981 450 Y HN 0.108 nan 8.280 nan 0.000 0.507 451 L N -0.130 121.136 121.223 0.072 0.000 1.978 451 L HA -0.335 4.009 4.340 0.006 0.000 0.218 451 L C 2.402 179.152 176.870 -0.199 0.000 1.075 451 L CA 2.387 57.173 54.840 -0.091 0.000 0.767 451 L CB -1.193 40.717 42.059 -0.247 0.000 0.890 451 L HN 0.312 nan 8.230 nan 0.000 0.434 452 H N -0.470 118.543 119.070 -0.096 0.000 2.389 452 H HA 0.001 4.561 4.556 0.006 0.000 0.299 452 H C 2.157 177.428 175.328 -0.095 0.000 1.081 452 H CA 1.305 57.326 56.048 -0.044 0.000 1.345 452 H CB -0.373 29.328 29.762 -0.102 0.000 1.393 452 H HN 0.588 nan 8.280 nan 0.000 0.520 453 A N 1.340 124.135 122.820 -0.041 0.000 1.902 453 A HA -0.181 4.142 4.320 0.006 0.000 0.217 453 A C 2.379 179.833 177.584 -0.218 0.000 1.181 453 A CA 1.310 53.269 52.037 -0.131 0.000 0.623 453 A CB -0.219 18.675 19.000 -0.177 0.000 0.818 453 A HN 0.292 nan 8.150 nan 0.000 0.443 454 Q N -0.554 119.054 119.800 -0.321 0.000 2.084 454 Q HA -0.123 4.221 4.340 0.006 0.000 0.202 454 Q C 2.206 178.081 176.000 -0.208 0.000 0.978 454 Q CA 1.115 56.724 55.803 -0.324 0.000 0.844 454 Q CB -0.429 28.071 28.738 -0.395 0.000 0.898 454 Q HN 0.485 nan 8.270 nan 0.000 0.426 455 R N 0.698 121.097 120.500 -0.168 0.000 2.075 455 R HA -0.051 4.292 4.340 0.006 0.000 0.232 455 R C 2.114 178.263 176.300 -0.252 0.000 1.126 455 R CA 0.901 56.883 56.100 -0.197 0.000 0.963 455 R CB -0.474 29.658 30.300 -0.281 0.000 0.858 455 R HN 0.338 nan 8.270 nan 0.000 0.435 456 Q N 0.953 120.627 119.800 -0.210 0.000 2.124 456 Q HA -0.094 4.250 4.340 0.006 0.000 0.202 456 Q C 1.861 177.748 176.000 -0.188 0.000 0.977 456 Q CA 1.288 56.984 55.803 -0.179 0.000 0.850 456 Q CB -0.136 28.541 28.738 -0.103 0.000 0.901 456 Q HN 0.387 nan 8.270 nan 0.000 0.429 457 K N 0.137 120.427 120.400 -0.183 0.000 2.280 457 K HA -0.033 4.290 4.320 0.006 0.000 0.202 457 K C 1.396 177.863 176.600 -0.222 0.000 1.047 457 K CA 0.581 56.752 56.287 -0.194 0.000 0.942 457 K CB 0.079 32.478 32.500 -0.169 0.000 0.739 457 K HN 0.158 nan 8.250 nan 0.000 0.457 458 L N 0.244 121.364 121.223 -0.170 0.000 2.848 458 L HA 0.154 4.497 4.340 0.006 0.000 0.240 458 L C -0.502 176.371 176.870 0.005 0.000 1.232 458 L CA 0.006 54.799 54.840 -0.079 0.000 1.031 458 L CB -0.491 41.564 42.059 -0.006 0.000 1.338 458 L HN 0.346 nan 8.230 nan 0.000 0.509 459 H N -1.215 117.812 119.070 -0.071 0.000 3.237 459 H HA -0.157 4.402 4.556 0.006 0.000 0.231 459 H C 0.952 176.208 175.328 -0.120 0.000 1.148 459 H CA 0.648 56.655 56.048 -0.068 0.000 1.155 459 H CB -1.043 28.705 29.762 -0.023 0.000 1.210 459 H HN 0.646 nan 8.280 nan 0.000 0.317 460 G N -1.722 106.977 108.800 -0.168 0.000 2.297 460 G HA2 -0.029 3.935 3.960 0.006 0.000 0.209 460 G HA3 -0.029 3.935 3.960 0.006 0.000 0.209 460 G C -1.397 173.141 174.900 -0.603 0.000 1.267 460 G CA -0.496 44.345 45.100 -0.431 0.000 1.127 460 G HN 0.212 nan 8.290 nan 0.000 0.498 461 Y N 0.581 120.933 120.300 0.086 0.000 2.446 461 Y HA 0.781 5.334 4.550 0.006 0.000 0.338 461 Y C 0.819 176.750 175.900 0.053 0.000 1.055 461 Y CA -0.556 57.590 58.100 0.077 0.000 1.101 461 Y CB 1.836 40.318 38.460 0.038 0.000 1.221 461 Y HN 0.804 nan 8.280 nan 0.000 0.460 462 L N 1.137 122.498 121.223 0.229 0.000 2.415 462 L HA 0.847 5.191 4.340 0.006 0.000 0.256 462 L C -3.081 173.832 176.870 0.071 0.000 1.010 462 L CA -2.413 52.490 54.840 0.106 0.000 0.826 462 L CB 2.544 44.685 42.059 0.136 0.000 1.405 462 L HN 0.279 nan 8.230 nan 0.000 0.410 463 P HA 0.314 nan 4.420 nan 0.000 0.277 463 P C -0.971 175.983 177.300 -0.576 0.000 1.240 463 P CA -0.118 62.767 63.100 -0.358 0.000 0.798 463 P CB 1.692 33.147 31.700 -0.408 0.000 0.979 464 S N 1.305 116.819 115.700 -0.310 0.000 2.607 464 S HA 0.735 5.208 4.470 0.006 0.000 0.273 464 S C -1.022 173.487 174.600 -0.151 0.000 1.148 464 S CA -0.931 57.136 58.200 -0.221 0.000 0.833 464 S CB 2.529 65.682 63.200 -0.078 0.000 1.130 464 S HN 0.682 nan 8.310 nan 0.000 0.470 465 R N 0.570 121.016 120.500 -0.090 0.000 2.651 465 R HA 0.431 4.775 4.340 0.006 0.000 0.278 465 R C -1.716 174.566 176.300 -0.029 0.000 1.010 465 R CA -0.422 55.630 56.100 -0.079 0.000 0.896 465 R CB 1.993 32.242 30.300 -0.084 0.000 1.211 465 R HN 0.861 nan 8.270 nan 0.000 0.456 466 Q N 5.050 124.834 119.800 -0.028 0.000 2.368 466 Q HA 0.318 4.661 4.340 0.006 0.000 0.256 466 Q C -2.020 174.000 176.000 0.033 0.000 0.980 466 Q CA -2.152 53.657 55.803 0.011 0.000 0.887 466 Q CB 1.790 30.541 28.738 0.022 0.000 1.221 466 Q HN 0.408 nan 8.270 nan 0.000 0.458 467 P HA -0.046 nan 4.420 nan 0.000 0.221 467 P C -0.651 176.759 177.300 0.183 0.000 1.150 467 P CA 0.969 64.129 63.100 0.099 0.000 0.800 467 P CB 0.441 32.175 31.700 0.057 0.000 0.787 468 N N -1.134 117.641 118.700 0.125 0.000 2.321 468 N HA 0.305 5.048 4.740 0.006 0.000 0.290 468 N C -0.646 174.949 175.510 0.143 0.000 1.212 468 N CA -0.684 52.410 53.050 0.073 0.000 0.767 468 N CB 1.366 39.772 38.487 -0.134 0.000 1.494 468 N HN -0.112 nan 8.380 nan 0.000 0.479 469 F N -1.296 118.759 119.950 0.175 0.000 2.378 469 F HA 0.487 5.018 4.527 0.006 0.000 0.325 469 F C 1.781 177.633 175.800 0.087 0.000 1.097 469 F CA -0.697 57.396 58.000 0.156 0.000 1.079 469 F CB 0.145 39.270 39.000 0.208 0.000 1.240 469 F HN 0.484 nan 8.300 nan 0.000 0.519 470 T N -2.534 112.175 114.554 0.260 0.000 3.031 470 T HA 0.058 4.412 4.350 0.006 0.000 0.254 470 T C 0.478 175.290 174.700 0.187 0.000 1.060 470 T CA 0.347 62.527 62.100 0.134 0.000 1.135 470 T CB -0.656 68.276 68.868 0.108 0.000 0.896 470 T HN 0.806 nan 8.240 nan 0.000 0.472 471 E N 1.508 121.906 120.200 0.331 0.000 2.409 471 E HA 0.232 4.586 4.350 0.006 0.000 0.257 471 E C -0.427 176.361 176.600 0.313 0.000 1.150 471 E CA -0.775 55.785 56.400 0.266 0.000 0.942 471 E CB 0.564 30.390 29.700 0.211 0.000 0.979 471 E HN 0.259 nan 8.360 nan 0.000 0.447 472 K N 2.619 123.138 120.400 0.199 0.000 2.265 472 K HA 0.314 4.638 4.320 0.006 0.000 0.267 472 K C -1.222 175.482 176.600 0.173 0.000 0.994 472 K CA -0.433 55.964 56.287 0.183 0.000 0.860 472 K CB 0.800 33.363 32.500 0.105 0.000 1.099 472 K HN 0.540 nan 8.250 nan 0.000 0.448 473 L N 3.381 124.729 121.223 0.208 0.000 2.325 473 L HA 0.376 4.719 4.340 0.006 0.000 0.279 473 L C 0.076 177.019 176.870 0.121 0.000 1.054 473 L CA -0.809 54.121 54.840 0.149 0.000 0.804 473 L CB 1.500 43.656 42.059 0.162 0.000 1.200 473 L HN 0.602 nan 8.230 nan 0.000 0.436 474 E N 3.543 123.797 120.200 0.089 0.000 2.136 474 E HA 0.268 4.621 4.350 0.006 0.000 0.246 474 E C -0.606 176.044 176.600 0.084 0.000 1.017 474 E CA -0.691 55.756 56.400 0.079 0.000 0.883 474 E CB 0.701 30.435 29.700 0.056 0.000 1.199 474 E HN 0.236 nan 8.360 nan 0.000 0.447 475 L N 3.946 125.235 121.223 0.110 0.000 2.467 475 L HA 0.176 4.520 4.340 0.006 0.000 0.270 475 L C -1.649 175.310 176.870 0.147 0.000 1.205 475 L CA -1.592 53.328 54.840 0.133 0.000 0.828 475 L CB -0.488 41.662 42.059 0.152 0.000 1.101 475 L HN 0.203 nan 8.230 nan 0.000 0.479 476 P HA 0.131 nan 4.420 nan 0.000 0.272 476 P C -0.679 176.802 177.300 0.302 0.000 1.223 476 P CA -0.424 62.767 63.100 0.151 0.000 0.784 476 P CB 0.770 32.502 31.700 0.053 0.000 0.923 477 S N 1.435 117.250 115.700 0.191 0.000 2.681 477 S HA 0.141 4.614 4.470 0.006 0.000 0.270 477 S C 1.178 175.831 174.600 0.090 0.000 1.209 477 S CA -0.668 57.635 58.200 0.172 0.000 0.988 477 S CB 0.296 63.537 63.200 0.069 0.000 1.006 477 S HN 0.345 nan 8.310 nan 0.000 0.558 478 L N 0.784 121.844 121.223 -0.271 0.000 2.093 478 L HA 0.015 4.359 4.340 0.006 0.000 0.208 478 L C 2.407 179.292 176.870 0.025 0.000 1.085 478 L CA 1.845 56.509 54.840 -0.294 0.000 0.755 478 L CB -1.398 40.382 42.059 -0.465 0.000 0.904 478 L HN 0.794 nan 8.230 nan 0.000 0.435 479 Q N -0.341 119.450 119.800 -0.014 0.000 2.226 479 Q HA -0.173 4.170 4.340 0.006 0.000 0.204 479 Q C 1.738 177.732 176.000 -0.009 0.000 0.975 479 Q CA 1.497 57.299 55.803 -0.003 0.000 0.866 479 Q CB -0.354 28.373 28.738 -0.017 0.000 0.915 479 Q HN 0.506 nan 8.270 nan 0.000 0.440 480 D N -0.597 119.781 120.400 -0.038 0.000 2.264 480 D HA -0.109 4.535 4.640 0.006 0.000 0.208 480 D C 0.345 176.467 176.300 -0.297 0.000 0.966 480 D CA 0.846 54.737 54.000 -0.181 0.000 0.864 480 D CB 0.001 40.644 40.800 -0.263 0.000 0.933 480 D HN 0.303 nan 8.370 nan 0.000 0.499 481 F N 0.169 120.094 119.950 -0.042 0.000 2.660 481 F HA 0.261 4.792 4.527 0.006 0.000 0.302 481 F C 2.254 178.034 175.800 -0.033 0.000 1.103 481 F CA -0.404 57.575 58.000 -0.035 0.000 1.340 481 F CB -0.037 38.948 39.000 -0.025 0.000 1.048 481 F HN -0.112 nan 8.300 nan 0.000 0.551 482 G N 0.675 109.520 108.800 0.074 0.000 2.545 482 G HA2 -0.354 3.609 3.960 0.006 0.000 0.222 482 G HA3 -0.354 3.609 3.960 0.006 0.000 0.222 482 G C 1.946 176.867 174.900 0.035 0.000 1.126 482 G CA 1.091 46.215 45.100 0.039 0.000 0.754 482 G HN 0.448 nan 8.290 nan 0.000 0.583 483 A N 0.422 123.258 122.820 0.027 0.000 1.902 483 A HA 0.094 4.418 4.320 0.006 0.000 0.217 483 A C 2.199 179.810 177.584 0.045 0.000 1.181 483 A CA 1.198 53.248 52.037 0.021 0.000 0.623 483 A CB -0.274 18.729 19.000 0.005 0.000 0.818 483 A HN 0.304 nan 8.150 nan 0.000 0.443 484 L N -0.327 120.945 121.223 0.082 0.000 2.551 484 L HA 0.051 4.395 4.340 0.006 0.000 0.228 484 L C 1.755 178.701 176.870 0.126 0.000 1.153 484 L CA 0.974 55.876 54.840 0.103 0.000 0.851 484 L CB -0.931 41.208 42.059 0.135 0.000 0.959 484 L HN 0.436 nan 8.230 nan 0.000 0.451 485 L N -1.166 120.113 121.223 0.093 0.000 2.529 485 L HA 0.083 4.426 4.340 0.006 0.000 0.223 485 L C 0.908 177.781 176.870 0.005 0.000 1.113 485 L CA 0.046 54.925 54.840 0.065 0.000 0.861 485 L CB 0.163 42.231 42.059 0.016 0.000 1.012 485 L HN 0.248 nan 8.230 nan 0.000 0.461 486 E N 0.590 120.799 120.200 0.016 0.000 2.280 486 E HA 0.158 4.511 4.350 0.006 0.000 0.261 486 E C -0.320 176.279 176.600 -0.002 0.000 1.088 486 E CA -0.649 55.746 56.400 -0.008 0.000 0.915 486 E CB 1.158 30.855 29.700 -0.004 0.000 1.141 486 E HN 0.052 nan 8.360 nan 0.000 0.433 487 E N 1.110 121.299 120.200 -0.018 0.000 2.392 487 E HA -0.066 4.287 4.350 0.006 0.000 0.264 487 E C -0.636 175.945 176.600 -0.032 0.000 1.024 487 E CA -0.143 56.233 56.400 -0.039 0.000 0.903 487 E CB 0.569 30.272 29.700 0.004 0.000 0.963 487 E HN 0.209 nan 8.360 nan 0.000 0.432 488 Q N 1.922 121.674 119.800 -0.080 0.000 2.257 488 Q HA 0.107 4.450 4.340 0.006 0.000 0.255 488 Q C 0.754 176.753 176.000 -0.002 0.000 0.920 488 Q CA -0.142 55.639 55.803 -0.036 0.000 0.927 488 Q CB 1.897 30.609 28.738 -0.043 0.000 1.229 488 Q HN 0.691 nan 8.270 nan 0.000 0.433 489 S N 2.178 117.899 115.700 0.036 0.000 2.371 489 S HA -0.075 4.398 4.470 0.006 0.000 0.224 489 S C 0.632 175.284 174.600 0.086 0.000 1.029 489 S CA 0.598 58.842 58.200 0.073 0.000 0.978 489 S CB -0.103 63.128 63.200 0.051 0.000 0.833 489 S HN 0.570 nan 8.310 nan 0.000 0.466 490 K N 1.823 122.257 120.400 0.056 0.000 2.118 490 K HA 0.359 4.683 4.320 0.006 0.000 0.267 490 K C -0.880 175.755 176.600 0.059 0.000 0.991 490 K CA -0.623 55.699 56.287 0.057 0.000 0.916 490 K CB 0.915 33.437 32.500 0.036 0.000 1.041 490 K HN 0.186 nan 8.250 nan 0.000 0.455 491 E N 3.251 123.497 120.200 0.077 0.000 2.290 491 E HA 0.169 4.522 4.350 0.006 0.000 0.277 491 E C 0.196 176.806 176.600 0.016 0.000 1.035 491 E CA -0.229 56.216 56.400 0.076 0.000 0.873 491 E CB 0.500 30.268 29.700 0.114 0.000 1.029 491 E HN 0.572 nan 8.360 nan 0.000 0.419 492 I N -1.514 119.036 120.570 -0.033 0.000 3.457 492 I HA 0.577 4.750 4.170 0.006 0.000 0.307 492 I C -0.169 175.842 176.117 -0.176 0.000 1.138 492 I CA -1.077 60.185 61.300 -0.064 0.000 0.974 492 I CB 2.055 40.035 38.000 -0.032 0.000 1.324 492 I HN 0.428 nan 8.210 nan 0.000 0.485 493 S N -0.850 114.763 115.700 -0.145 0.000 2.739 493 S HA 0.403 4.877 4.470 0.006 0.000 0.306 493 S C 0.774 175.306 174.600 -0.113 0.000 1.115 493 S CA 0.154 58.224 58.200 -0.216 0.000 0.985 493 S CB 1.303 64.433 63.200 -0.117 0.000 1.133 493 S HN 0.856 nan 8.310 nan 0.000 0.541 494 T N -2.026 112.472 114.554 -0.094 0.000 3.035 494 T HA -0.023 4.330 4.350 0.006 0.000 0.268 494 T C 1.510 176.243 174.700 0.054 0.000 1.109 494 T CA 1.489 63.586 62.100 -0.006 0.000 1.119 494 T CB -1.067 67.807 68.868 0.009 0.000 0.900 494 T HN 0.617 nan 8.240 nan 0.000 0.503 495 T N 1.938 116.526 114.554 0.057 0.000 2.896 495 T HA 0.235 4.589 4.350 0.006 0.000 0.263 495 T C 1.877 176.684 174.700 0.179 0.000 1.050 495 T CA 0.645 62.825 62.100 0.133 0.000 1.140 495 T CB -0.313 68.640 68.868 0.142 0.000 0.877 495 T HN 0.356 nan 8.240 nan 0.000 0.457 496 I N 1.458 122.088 120.570 0.099 0.000 2.226 496 I HA -0.183 3.991 4.170 0.006 0.000 0.245 496 I C 2.898 179.045 176.117 0.050 0.000 1.100 496 I CA 1.052 62.394 61.300 0.071 0.000 1.374 496 I CB -0.414 37.605 38.000 0.032 0.000 1.057 496 I HN 0.196 nan 8.210 nan 0.000 0.413 497 A N 0.774 123.625 122.820 0.051 0.000 1.902 497 A HA -0.277 4.047 4.320 0.006 0.000 0.217 497 A C 2.225 179.837 177.584 0.047 0.000 1.181 497 A CA 1.587 53.651 52.037 0.045 0.000 0.623 497 A CB -0.998 18.031 19.000 0.048 0.000 0.818 497 A HN 0.495 nan 8.150 nan 0.000 0.443 498 F N 1.006 120.936 119.950 -0.034 0.000 2.095 498 F HA -0.167 4.363 4.527 0.006 0.000 0.298 498 F C 2.086 177.840 175.800 -0.077 0.000 1.104 498 F CA 2.064 60.027 58.000 -0.062 0.000 1.232 498 F CB -0.515 38.441 39.000 -0.073 0.000 0.987 498 F HN 0.016 nan 8.300 nan 0.000 0.475 499 V N 1.263 120.957 119.914 -0.367 0.000 2.427 499 V HA -0.255 3.868 4.120 0.006 0.000 0.248 499 V C 2.545 178.452 176.094 -0.311 0.000 1.051 499 V CA 2.155 64.198 62.300 -0.428 0.000 1.048 499 V CB -0.759 31.011 31.823 -0.089 0.000 0.666 499 V HN 0.303 nan 8.190 nan 0.000 0.456 500 R N 0.206 120.607 120.500 -0.166 0.000 2.096 500 R HA -0.097 4.246 4.340 0.006 0.000 0.235 500 R C 2.451 178.689 176.300 -0.104 0.000 1.127 500 R CA 1.411 57.450 56.100 -0.102 0.000 0.968 500 R CB -0.564 29.716 30.300 -0.034 0.000 0.861 500 R HN 0.537 nan 8.270 nan 0.000 0.440 501 A N 1.347 124.106 122.820 -0.102 0.000 1.902 501 A HA -0.131 4.193 4.320 0.006 0.000 0.217 501 A C 2.164 179.686 177.584 -0.104 0.000 1.181 501 A CA 0.965 53.035 52.037 0.054 0.000 0.623 501 A CB -0.527 18.475 19.000 0.003 0.000 0.818 501 A HN 0.219 nan 8.150 nan 0.000 0.443 502 L N -0.575 120.380 121.223 -0.447 0.000 2.012 502 L HA -0.249 4.095 4.340 0.006 0.000 0.210 502 L C 2.327 179.007 176.870 -0.317 0.000 1.073 502 L CA 1.936 56.442 54.840 -0.556 0.000 0.748 502 L CB -0.492 41.101 42.059 -0.777 0.000 0.891 502 L HN 0.438 nan 8.230 nan 0.000 0.431 503 N N -1.034 117.518 118.700 -0.247 0.000 2.149 503 N HA -0.179 4.564 4.740 0.006 0.000 0.188 503 N C 1.686 177.092 175.510 -0.173 0.000 1.019 503 N CA 1.130 54.077 53.050 -0.171 0.000 0.857 503 N CB -0.143 38.268 38.487 -0.127 0.000 0.997 503 N HN 0.076 nan 8.380 nan 0.000 0.426 504 V N 0.734 120.522 119.914 -0.209 0.000 2.295 504 V HA -0.243 3.881 4.120 0.006 0.000 0.246 504 V C 2.099 178.013 176.094 -0.300 0.000 1.049 504 V CA 1.533 63.637 62.300 -0.326 0.000 1.024 504 V CB -0.406 31.040 31.823 -0.628 0.000 0.648 504 V HN 0.375 nan 8.190 nan 0.000 0.447 505 M N -0.851 118.617 119.600 -0.220 0.000 2.159 505 M HA -0.154 4.329 4.480 0.006 0.000 0.263 505 M C 1.981 178.220 176.300 -0.102 0.000 1.063 505 M CA 1.768 56.998 55.300 -0.117 0.000 1.110 505 M CB -0.421 32.145 32.600 -0.056 0.000 1.374 505 M HN 0.255 nan 8.290 nan 0.000 0.411 506 L N -0.295 120.855 121.223 -0.122 0.000 2.633 506 L HA -0.135 4.208 4.340 0.006 0.000 0.235 506 L C 1.726 178.549 176.870 -0.078 0.000 1.163 506 L CA 0.818 55.605 54.840 -0.088 0.000 0.859 506 L CB -0.303 41.701 42.059 -0.092 0.000 0.973 506 L HN 0.243 nan 8.230 nan 0.000 0.451 507 K N -0.856 119.485 120.400 -0.098 0.000 2.358 507 K HA 0.083 4.407 4.320 0.006 0.000 0.200 507 K C 0.535 177.090 176.600 -0.075 0.000 1.030 507 K CA -0.200 56.035 56.287 -0.086 0.000 1.097 507 K CB 0.372 32.809 32.500 -0.105 0.000 0.862 507 K HN 0.100 nan 8.250 nan 0.000 0.534 508 N N 2.185 120.842 118.700 -0.071 0.000 2.408 508 N HA -0.018 4.726 4.740 0.006 0.000 0.257 508 N C 0.806 176.301 175.510 -0.025 0.000 1.064 508 N CA 0.089 53.111 53.050 -0.046 0.000 0.952 508 N CB 0.956 39.423 38.487 -0.035 0.000 1.093 508 N HN 0.053 nan 8.380 nan 0.000 0.490 509 K N 1.964 122.352 120.400 -0.019 0.000 2.152 509 K HA -0.129 4.194 4.320 0.006 0.000 0.206 509 K C 1.423 178.021 176.600 -0.004 0.000 1.048 509 K CA 1.070 57.349 56.287 -0.012 0.000 0.933 509 K CB -0.399 32.096 32.500 -0.009 0.000 0.721 509 K HN 0.372 nan 8.250 nan 0.000 0.447 510 S N 1.488 117.191 115.700 0.006 0.000 2.355 510 S HA -0.040 4.434 4.470 0.006 0.000 0.222 510 S C 2.011 176.616 174.600 0.007 0.000 1.031 510 S CA 1.152 59.361 58.200 0.015 0.000 0.993 510 S CB -0.199 63.021 63.200 0.033 0.000 0.859 510 S HN 0.553 nan 8.310 nan 0.000 0.453 511 I N -0.710 119.865 120.570 0.008 0.000 4.057 511 I HA 0.267 4.441 4.170 0.006 0.000 0.334 511 I C 1.800 177.917 176.117 0.001 0.000 1.308 511 I CA 0.057 61.356 61.300 -0.000 0.000 1.125 511 I CB -0.257 37.751 38.000 0.014 0.000 1.034 511 I HN 0.170 nan 8.210 nan 0.000 0.401 512 K N 1.381 121.777 120.400 -0.006 0.000 2.089 512 K HA -0.231 4.092 4.320 0.006 0.000 0.210 512 K C 0.899 177.499 176.600 -0.001 0.000 1.048 512 K CA 2.336 58.616 56.287 -0.011 0.000 0.926 512 K CB -0.599 31.887 32.500 -0.024 0.000 0.714 512 K HN 0.360 nan 8.250 nan 0.000 0.448 513 D N -0.001 120.394 120.400 -0.008 0.000 2.340 513 D HA 0.024 4.668 4.640 0.006 0.000 0.220 513 D C 1.385 177.686 176.300 0.000 0.000 1.039 513 D CA 0.205 54.198 54.000 -0.011 0.000 0.866 513 D CB 0.300 41.081 40.800 -0.033 0.000 0.913 513 D HN 0.229 nan 8.370 nan 0.000 0.523 514 R N 0.198 120.702 120.500 0.007 0.000 2.300 514 R HA 0.187 4.531 4.340 0.006 0.000 0.199 514 R C 0.870 177.207 176.300 0.062 0.000 0.920 514 R CA -0.090 56.017 56.100 0.012 0.000 1.046 514 R CB 0.136 30.405 30.300 -0.051 0.000 0.984 514 R HN 0.197 nan 8.270 nan 0.000 0.493 515 L N 1.318 122.598 121.223 0.094 0.000 2.426 515 L HA 0.160 4.503 4.340 0.006 0.000 0.271 515 L C 0.137 177.145 176.870 0.230 0.000 1.169 515 L CA -0.204 54.748 54.840 0.188 0.000 0.836 515 L CB 0.890 43.048 42.059 0.165 0.000 1.112 515 L HN -0.274 nan 8.230 nan 0.000 0.465 516 V N 3.293 123.386 119.914 0.299 0.000 2.380 516 V HA 0.246 4.370 4.120 0.006 0.000 0.268 516 V C -2.339 173.945 176.094 0.316 0.000 1.008 516 V CA -1.464 61.003 62.300 0.278 0.000 0.823 516 V CB 1.097 33.063 31.823 0.239 0.000 1.053 516 V HN 0.599 nan 8.190 nan 0.000 0.446 517 P HA 0.432 nan 4.420 nan 0.000 0.276 517 P C -0.565 176.883 177.300 0.246 0.000 1.230 517 P CA 0.174 63.451 63.100 0.296 0.000 0.776 517 P CB 0.833 32.631 31.700 0.163 0.000 0.888 518 I N 4.381 125.145 120.570 0.324 0.000 2.533 518 I HA 0.485 4.658 4.170 0.006 0.000 0.290 518 I C -0.108 176.244 176.117 0.393 0.000 1.056 518 I CA -0.974 60.487 61.300 0.268 0.000 1.057 518 I CB 1.878 39.992 38.000 0.190 0.000 1.240 518 I HN 0.214 nan 8.210 nan 0.000 0.423 519 I N 2.186 122.940 120.570 0.307 0.000 2.865 519 I HA 0.798 4.972 4.170 0.006 0.000 0.302 519 I C -0.841 175.459 176.117 0.306 0.000 1.140 519 I CA -0.926 60.606 61.300 0.387 0.000 1.021 519 I CB 2.174 40.393 38.000 0.365 0.000 1.233 519 I HN 0.606 nan 8.210 nan 0.000 0.427 520 A N 3.333 126.358 122.820 0.342 0.000 2.801 520 A HA 0.569 4.892 4.320 0.006 0.000 0.344 520 A C 0.417 178.077 177.584 0.128 0.000 1.322 520 A CA 0.268 52.424 52.037 0.198 0.000 0.913 520 A CB -0.392 18.732 19.000 0.207 0.000 1.140 520 A HN 0.986 nan 8.150 nan 0.000 0.487 521 D N 0.279 120.758 120.400 0.131 0.000 4.059 521 D HA -0.195 4.448 4.640 0.006 0.000 0.203 521 D C 0.205 176.589 176.300 0.139 0.000 1.123 521 D CA 2.347 56.412 54.000 0.108 0.000 2.357 521 D CB -1.097 39.729 40.800 0.044 0.000 1.180 521 D HN 0.542 nan 8.370 nan 0.000 0.422 522 E N 0.437 120.696 120.200 0.098 0.000 2.271 522 E HA 0.475 4.829 4.350 0.006 0.000 0.255 522 E C 0.565 177.311 176.600 0.245 0.000 1.177 522 E CA 0.826 57.277 56.400 0.085 0.000 0.946 522 E CB 0.397 30.035 29.700 -0.104 0.000 1.009 522 E HN 0.413 nan 8.360 nan 0.000 0.451 523 A N 4.353 127.315 122.820 0.237 0.000 1.988 523 A HA 0.100 4.423 4.320 0.006 0.000 0.198 523 A C 1.840 179.546 177.584 0.204 0.000 1.507 523 A CA -0.079 52.185 52.037 0.378 0.000 0.901 523 A CB 0.244 19.589 19.000 0.575 0.000 1.007 523 A HN 0.368 nan 8.150 nan 0.000 0.502 524 R N 0.256 120.794 120.500 0.063 0.000 2.105 524 R HA -0.108 4.235 4.340 0.006 0.000 0.239 524 R C 1.915 178.202 176.300 -0.022 0.000 1.135 524 R CA 1.913 58.012 56.100 -0.002 0.000 0.967 524 R CB -0.746 29.531 30.300 -0.039 0.000 0.861 524 R HN 0.533 nan 8.270 nan 0.000 0.442 525 T N 0.320 114.805 114.554 -0.115 0.000 2.833 525 T HA -0.105 4.248 4.350 0.006 0.000 0.269 525 T C 0.921 175.461 174.700 -0.267 0.000 1.054 525 T CA 1.123 63.071 62.100 -0.254 0.000 1.135 525 T CB -0.137 68.488 68.868 -0.405 0.000 0.869 525 T HN 0.129 nan 8.240 nan 0.000 0.466 526 F N 0.436 120.487 119.950 0.167 0.000 2.641 526 F HA 0.451 4.981 4.527 0.006 0.000 0.302 526 F C 1.659 177.544 175.800 0.142 0.000 1.098 526 F CA -1.107 56.985 58.000 0.154 0.000 1.318 526 F CB -0.564 38.549 39.000 0.188 0.000 1.035 526 F HN 0.166 nan 8.300 nan 0.000 0.551 527 G N 1.088 110.021 108.800 0.222 0.000 2.323 527 G HA2 -0.301 3.663 3.960 0.006 0.000 0.292 527 G HA3 -0.301 3.663 3.960 0.006 0.000 0.292 527 G C 0.848 175.876 174.900 0.213 0.000 1.040 527 G CA 0.360 45.560 45.100 0.166 0.000 0.942 527 G HN 0.236 nan 8.290 nan 0.000 0.506 528 M N 0.147 119.927 119.600 0.300 0.000 2.428 528 M HA 0.063 4.547 4.480 0.006 0.000 0.239 528 M C 2.284 178.881 176.300 0.496 0.000 1.121 528 M CA 0.928 56.456 55.300 0.381 0.000 1.019 528 M CB -0.226 32.667 32.600 0.488 0.000 1.485 528 M HN 0.642 nan 8.290 nan 0.000 0.484 529 E N 0.638 120.966 120.200 0.213 0.000 2.171 529 E HA -0.174 4.179 4.350 0.006 0.000 0.197 529 E C 1.733 178.436 176.600 0.171 0.000 0.997 529 E CA 1.883 58.247 56.400 -0.060 0.000 0.810 529 E CB -0.799 28.797 29.700 -0.174 0.000 0.738 529 E HN 0.455 nan 8.360 nan 0.000 0.467 530 G N 1.798 110.702 108.800 0.174 0.000 2.402 530 G HA2 -0.179 3.785 3.960 0.006 0.000 0.216 530 G HA3 -0.179 3.785 3.960 0.006 0.000 0.216 530 G C 1.815 176.818 174.900 0.172 0.000 1.162 530 G CA 1.042 46.223 45.100 0.135 0.000 0.777 530 G HN 0.250 nan 8.290 nan 0.000 0.539 531 L N -0.525 120.818 121.223 0.200 0.000 2.191 531 L HA 0.079 4.423 4.340 0.006 0.000 0.212 531 L C 2.561 179.521 176.870 0.151 0.000 1.103 531 L CA 0.469 55.381 54.840 0.119 0.000 0.769 531 L CB -0.504 41.585 42.059 0.051 0.000 0.908 531 L HN 0.122 nan 8.230 nan 0.000 0.438 532 F N 0.744 120.725 119.950 0.052 0.000 2.043 532 F HA -0.297 4.234 4.527 0.006 0.000 0.297 532 F C 2.725 178.551 175.800 0.043 0.000 1.118 532 F CA 1.611 59.645 58.000 0.058 0.000 1.202 532 F CB -0.369 38.667 39.000 0.059 0.000 0.965 532 F HN -0.003 nan 8.300 nan 0.000 0.482 533 R N -0.101 120.553 120.500 0.255 0.000 2.189 533 R HA -0.151 4.192 4.340 0.006 0.000 0.223 533 R C 1.961 178.314 176.300 0.089 0.000 1.092 533 R CA 1.129 57.311 56.100 0.138 0.000 0.989 533 R CB -0.583 29.775 30.300 0.097 0.000 0.876 533 R HN 0.468 nan 8.270 nan 0.000 0.457 534 Q N 1.077 120.928 119.800 0.085 0.000 2.033 534 Q HA -0.017 4.326 4.340 0.006 0.000 0.196 534 Q C 1.988 178.006 176.000 0.030 0.000 0.970 534 Q CA 1.370 57.200 55.803 0.045 0.000 0.828 534 Q CB 0.285 29.042 28.738 0.033 0.000 0.895 534 Q HN 0.524 nan 8.270 nan 0.000 0.440 535 I N -4.583 116.004 120.570 0.027 0.000 4.227 535 I HA 0.444 4.618 4.170 0.006 0.000 0.334 535 I C 0.711 176.841 176.117 0.022 0.000 1.341 535 I CA 0.163 61.472 61.300 0.015 0.000 1.123 535 I CB 0.694 38.696 38.000 0.003 0.000 1.097 535 I HN 0.160 nan 8.210 nan 0.000 0.399 536 G N 2.893 111.709 108.800 0.026 0.000 2.846 536 G HA2 -0.191 3.773 3.960 0.006 0.000 0.660 536 G HA3 -0.191 3.773 3.960 0.006 0.000 0.660 536 G C -0.869 174.027 174.900 -0.007 0.000 1.464 536 G CA -0.103 45.019 45.100 0.037 0.000 0.891 536 G HN 0.360 nan 8.290 nan 0.000 0.552 537 I N 0.597 121.185 120.570 0.031 0.000 2.412 537 I HA 0.604 4.778 4.170 0.006 0.000 0.296 537 I C -0.111 176.088 176.117 0.137 0.000 0.987 537 I CA -1.140 60.185 61.300 0.042 0.000 1.180 537 I CB 1.383 39.420 38.000 0.060 0.000 1.340 537 I HN 0.681 nan 8.210 nan 0.000 0.455 538 Y N 6.909 127.253 120.300 0.073 0.000 2.537 538 Y HA 0.238 4.792 4.550 0.006 0.000 0.339 538 Y C -0.049 175.898 175.900 0.078 0.000 1.066 538 Y CA 0.375 58.546 58.100 0.119 0.000 1.357 538 Y CB 0.438 39.039 38.460 0.235 0.000 1.175 538 Y HN 0.549 nan 8.280 nan 0.000 0.525 539 S N 9.223 124.663 115.700 -0.433 0.000 2.397 539 S HA 0.326 4.799 4.470 0.006 0.000 0.190 539 S C -2.829 171.490 174.600 -0.468 0.000 1.100 539 S CA -1.159 56.794 58.200 -0.412 0.000 1.150 539 S CB 0.346 63.448 63.200 -0.163 0.000 1.302 539 S HN 0.627 nan 8.310 nan 0.000 0.417 559 D N 0.272 120.652 120.400 -0.034 0.000 2.798 559 D HA 0.115 4.759 4.640 0.006 0.000 0.308 559 D C 0.869 177.096 176.300 -0.121 0.000 1.187 559 D CA -0.628 53.321 54.000 -0.085 0.000 1.033 559 D CB 0.239 41.005 40.800 -0.057 0.000 1.445 559 D HN 0.072 nan 8.370 nan 0.000 0.550 560 E N -0.028 120.071 120.200 -0.169 0.000 2.478 560 E HA -0.111 4.242 4.350 0.006 0.000 0.198 560 E C 0.440 177.086 176.600 0.076 0.000 1.046 560 E CA 0.701 56.994 56.400 -0.178 0.000 0.870 560 E CB -0.118 29.331 29.700 -0.417 0.000 0.818 560 E HN 0.379 nan 8.360 nan 0.000 0.527 561 K N 1.040 121.465 120.400 0.041 0.000 2.358 561 K HA 0.174 4.497 4.320 0.006 0.000 0.197 561 K C 0.785 177.431 176.600 0.076 0.000 1.025 561 K CA 0.427 56.740 56.287 0.043 0.000 1.104 561 K CB 0.810 33.311 32.500 0.001 0.000 0.855 561 K HN 0.116 nan 8.250 nan 0.000 0.531 562 G N 1.440 110.326 108.800 0.144 0.000 2.432 562 G HA2 -0.114 3.850 3.960 0.006 0.000 0.239 562 G HA3 -0.114 3.850 3.960 0.006 0.000 0.239 562 G C 0.476 175.518 174.900 0.237 0.000 1.291 562 G CA -0.111 45.086 45.100 0.162 0.000 0.863 562 G HN 0.226 nan 8.290 nan 0.000 0.560 563 Q N 1.256 121.150 119.800 0.158 0.000 2.339 563 Q HA 0.144 4.488 4.340 0.006 0.000 0.205 563 Q C 0.874 177.014 176.000 0.233 0.000 0.925 563 Q CA 0.097 56.017 55.803 0.194 0.000 0.898 563 Q CB 0.076 28.873 28.738 0.098 0.000 1.013 563 Q HN 0.649 nan 8.270 nan 0.000 0.504 564 I N 2.188 122.828 120.570 0.116 0.000 2.395 564 I HA 0.104 4.278 4.170 0.006 0.000 0.289 564 I C -0.482 175.691 176.117 0.094 0.000 1.023 564 I CA -0.328 60.998 61.300 0.044 0.000 1.350 564 I CB 1.092 38.993 38.000 -0.164 0.000 1.409 564 I HN 0.107 nan 8.210 nan 0.000 0.507 565 L N 6.383 127.646 121.223 0.066 0.000 2.255 565 L HA 0.280 4.624 4.340 0.006 0.000 0.289 565 L C -0.154 176.773 176.870 0.094 0.000 1.046 565 L CA -0.488 54.394 54.840 0.071 0.000 0.816 565 L CB 0.925 42.964 42.059 -0.033 0.000 1.197 565 L HN 0.559 nan 8.230 nan 0.000 0.427 566 Q N 2.975 122.848 119.800 0.122 0.000 2.430 566 Q HA 0.136 4.480 4.340 0.006 0.000 0.245 566 Q C 0.133 176.206 176.000 0.122 0.000 1.021 566 Q CA -0.025 55.856 55.803 0.130 0.000 0.867 566 Q CB 0.935 29.760 28.738 0.145 0.000 1.210 566 Q HN 0.391 nan 8.270 nan 0.000 0.487 567 E N 3.128 123.386 120.200 0.096 0.000 2.465 567 E HA 0.209 4.562 4.350 0.006 0.000 0.191 567 E C 0.697 177.338 176.600 0.068 0.000 1.053 567 E CA 0.519 56.966 56.400 0.079 0.000 0.869 567 E CB 0.140 29.831 29.700 -0.014 0.000 0.977 567 E HN 0.909 nan 8.360 nan 0.000 0.483 568 G N 2.054 110.900 108.800 0.078 0.000 2.598 568 G HA2 -0.306 3.658 3.960 0.006 0.000 0.244 568 G HA3 -0.306 3.658 3.960 0.006 0.000 0.244 568 G C 0.096 175.013 174.900 0.029 0.000 1.302 568 G CA -0.245 44.889 45.100 0.057 0.000 0.903 568 G HN 0.250 nan 8.290 nan 0.000 0.575 569 I N 2.108 122.679 120.570 0.003 0.000 2.268 569 I HA 0.265 4.439 4.170 0.006 0.000 0.298 569 I C 0.480 176.568 176.117 -0.049 0.000 1.185 569 I CA 0.098 61.375 61.300 -0.038 0.000 1.548 569 I CB -0.261 37.709 38.000 -0.051 0.000 1.492 569 I HN 0.404 nan 8.210 nan 0.000 0.711 570 N N 3.688 122.359 118.700 -0.048 0.000 2.824 570 N HA 0.097 4.841 4.740 0.006 0.000 0.224 570 N C 0.469 175.915 175.510 -0.107 0.000 1.418 570 N CA -0.141 52.868 53.050 -0.068 0.000 0.743 570 N CB 0.743 39.211 38.487 -0.032 0.000 1.395 570 N HN 0.206 nan 8.380 nan 0.000 0.548 571 E N 0.522 120.664 120.200 -0.098 0.000 2.077 571 E HA -0.107 4.246 4.350 0.006 0.000 0.193 571 E C 1.540 178.029 176.600 -0.184 0.000 0.989 571 E CA 0.937 57.286 56.400 -0.084 0.000 0.800 571 E CB 0.150 29.803 29.700 -0.078 0.000 0.746 571 E HN 0.479 nan 8.360 nan 0.000 0.452 572 L N 0.188 121.307 121.223 -0.173 0.000 2.017 572 L HA -0.034 4.310 4.340 0.006 0.000 0.208 572 L C 2.117 178.787 176.870 -0.333 0.000 1.073 572 L CA 2.252 56.976 54.840 -0.193 0.000 0.745 572 L CB -1.026 40.967 42.059 -0.111 0.000 0.894 572 L HN 0.201 nan 8.230 nan 0.000 0.432 573 G N -1.256 107.301 108.800 -0.406 0.000 2.418 573 G HA2 -0.257 3.707 3.960 0.006 0.000 0.217 573 G HA3 -0.257 3.707 3.960 0.006 0.000 0.217 573 G C 1.604 175.900 174.900 -1.007 0.000 1.158 573 G CA 0.806 45.331 45.100 -0.958 0.000 0.771 573 G HN 0.618 nan 8.290 nan 0.000 0.545 574 A N 0.800 123.245 122.820 -0.626 0.000 1.933 574 A HA 0.165 4.488 4.320 0.006 0.000 0.218 574 A C 2.678 179.764 177.584 -0.830 0.000 1.175 574 A CA 2.045 53.647 52.037 -0.725 0.000 0.628 574 A CB -0.938 17.558 19.000 -0.841 0.000 0.814 574 A HN 0.519 nan 8.150 nan 0.000 0.444 575 G N -1.169 107.241 108.800 -0.650 0.000 2.408 575 G HA2 -0.200 3.763 3.960 0.006 0.000 0.217 575 G HA3 -0.200 3.763 3.960 0.006 0.000 0.217 575 G C 1.497 176.299 174.900 -0.164 0.000 1.150 575 G CA 1.270 46.148 45.100 -0.370 0.000 0.776 575 G HN 0.524 nan 8.290 nan 0.000 0.542 576 C N 0.395 119.523 119.300 -0.288 0.000 2.450 576 C HA 0.090 4.554 4.460 0.006 0.000 0.279 576 C C 3.331 178.246 174.990 -0.123 0.000 1.335 576 C CA 0.979 59.902 59.018 -0.158 0.000 1.749 576 C CB -0.661 26.989 27.740 -0.150 0.000 1.963 576 C HN 0.391 nan 8.230 nan 0.000 0.501 577 S N -0.503 115.052 115.700 -0.242 0.000 2.368 577 S HA -0.198 4.275 4.470 0.006 0.000 0.224 577 S C 1.445 175.932 174.600 -0.189 0.000 1.029 577 S CA 1.334 59.457 58.200 -0.129 0.000 0.988 577 S CB -0.389 62.743 63.200 -0.114 0.000 0.838 577 S HN 0.830 nan 8.310 nan 0.000 0.462 578 W N 2.135 123.234 121.300 -0.336 0.000 2.338 578 W HA -0.136 4.527 4.660 0.006 0.000 0.304 578 W C 1.833 178.209 176.519 -0.240 0.000 1.212 578 W CA 1.087 58.278 57.345 -0.256 0.000 1.264 578 W CB -0.525 28.806 29.460 -0.214 0.000 1.142 578 W HN 0.265 nan 8.180 nan 0.000 0.512 579 L N 1.577 122.775 121.223 -0.042 0.000 2.056 579 L HA 0.001 4.344 4.340 0.006 0.000 0.207 579 L C 2.428 179.116 176.870 -0.305 0.000 1.078 579 L CA 2.711 57.437 54.840 -0.189 0.000 0.749 579 L CB -1.502 40.594 42.059 0.061 0.000 0.901 579 L HN 0.064 nan 8.230 nan 0.000 0.433 580 A N -0.453 122.183 122.820 -0.307 0.000 1.902 580 A HA -0.095 4.229 4.320 0.006 0.000 0.217 580 A C 2.442 179.542 177.584 -0.806 0.000 1.181 580 A CA 1.867 53.659 52.037 -0.408 0.000 0.623 580 A CB -1.135 17.648 19.000 -0.362 0.000 0.818 580 A HN 0.575 nan 8.150 nan 0.000 0.443 581 A N -0.255 121.906 122.820 -1.098 0.000 1.898 581 A HA 0.245 4.569 4.320 0.006 0.000 0.216 581 A C 2.405 179.693 177.584 -0.492 0.000 1.181 581 A CA 1.778 53.202 52.037 -1.022 0.000 0.620 581 A CB -0.933 17.651 19.000 -0.694 0.000 0.819 581 A HN 1.103 nan 8.150 nan 0.000 0.442 582 A N -0.513 121.947 122.820 -0.600 0.000 2.216 582 A HA 0.079 4.403 4.320 0.006 0.000 0.214 582 A C 1.834 179.353 177.584 -0.109 0.000 1.160 582 A CA 1.922 53.678 52.037 -0.468 0.000 0.725 582 A CB -0.765 17.578 19.000 -1.097 0.000 0.784 582 A HN 0.775 nan 8.150 nan 0.000 0.472 583 T N -4.920 109.523 114.554 -0.185 0.000 3.145 583 T HA 0.208 4.561 4.350 0.006 0.000 0.281 583 T C 1.340 175.861 174.700 -0.298 0.000 1.003 583 T CA 0.650 62.604 62.100 -0.243 0.000 0.901 583 T CB 0.146 68.906 68.868 -0.180 0.000 1.112 583 T HN 0.148 nan 8.240 nan 0.000 0.535 584 S N 1.470 117.101 115.700 -0.115 0.000 2.423 584 S HA -0.115 4.359 4.470 0.006 0.000 0.231 584 S C 1.853 176.457 174.600 0.008 0.000 1.014 584 S CA 1.197 59.399 58.200 0.004 0.000 0.965 584 S CB -0.621 62.672 63.200 0.154 0.000 0.785 584 S HN 0.816 nan 8.310 nan 0.000 0.495 585 Y N 0.754 121.105 120.300 0.085 0.000 2.274 585 Y HA 0.072 4.625 4.550 0.006 0.000 0.290 585 Y C 2.491 178.489 175.900 0.165 0.000 1.145 585 Y CA 1.405 59.581 58.100 0.125 0.000 1.203 585 Y CB -1.038 37.538 38.460 0.195 0.000 0.984 585 Y HN 0.299 nan 8.280 nan 0.000 0.533 586 S N 0.032 115.313 115.700 -0.699 0.000 2.384 586 S HA -0.110 4.363 4.470 0.006 0.000 0.217 586 S C 2.129 176.613 174.600 -0.192 0.000 1.041 586 S CA 1.181 59.113 58.200 -0.446 0.000 0.948 586 S CB -1.101 61.686 63.200 -0.688 0.000 0.872 586 S HN 0.723 nan 8.310 nan 0.000 0.512 587 T N 0.381 114.825 114.554 -0.183 0.000 2.788 587 T HA 0.037 4.390 4.350 0.006 0.000 0.268 587 T C 1.256 175.962 174.700 0.009 0.000 1.044 587 T CA 1.365 63.432 62.100 -0.055 0.000 1.139 587 T CB -0.413 68.487 68.868 0.053 0.000 0.867 587 T HN 0.422 nan 8.240 nan 0.000 0.454 588 N N 0.968 119.683 118.700 0.026 0.000 2.171 588 N HA 0.114 4.857 4.740 0.006 0.000 0.212 588 N C 0.270 175.816 175.510 0.060 0.000 1.184 588 N CA 0.228 53.309 53.050 0.051 0.000 0.888 588 N CB 0.090 38.624 38.487 0.079 0.000 1.038 588 N HN 0.417 nan 8.380 nan 0.000 0.517 589 N N 0.768 119.514 118.700 0.076 0.000 2.721 589 N HA -0.216 4.528 4.740 0.006 0.000 0.249 589 N C -1.223 174.366 175.510 0.132 0.000 1.072 589 N CA 0.282 53.415 53.050 0.139 0.000 0.710 589 N CB -1.275 37.281 38.487 0.115 0.000 0.993 589 N HN 0.294 nan 8.380 nan 0.000 0.547 590 L N 0.526 121.814 121.223 0.107 0.000 2.454 590 L HA 0.564 4.907 4.340 0.006 0.000 0.258 590 L C -2.382 174.520 176.870 0.053 0.000 1.025 590 L CA -1.627 53.253 54.840 0.066 0.000 0.901 590 L CB 1.376 43.473 42.059 0.063 0.000 1.210 590 L HN -0.044 nan 8.230 nan 0.000 0.457 591 P HA 0.155 nan 4.420 nan 0.000 0.267 591 P C -1.031 176.213 177.300 -0.094 0.000 1.205 591 P CA 0.059 63.110 63.100 -0.083 0.000 0.765 591 P CB 0.908 32.279 31.700 -0.550 0.000 0.828 592 M N 3.817 123.390 119.600 -0.046 0.000 2.530 592 M HA 0.459 4.943 4.480 0.006 0.000 0.307 592 M C -0.001 176.139 176.300 -0.267 0.000 1.161 592 M CA -0.800 54.462 55.300 -0.062 0.000 0.903 592 M CB 1.972 34.673 32.600 0.168 0.000 1.711 592 M HN 0.233 nan 8.290 nan 0.000 0.451 593 I N 4.734 125.153 120.570 -0.251 0.000 2.502 593 I HA 0.286 4.460 4.170 0.006 0.000 0.276 593 I C -2.214 173.861 176.117 -0.071 0.000 1.057 593 I CA -1.531 59.585 61.300 -0.308 0.000 1.163 593 I CB 1.527 39.338 38.000 -0.316 0.000 1.288 593 I HN 0.232 nan 8.210 nan 0.000 0.479 594 P HA 0.316 nan 4.420 nan 0.000 0.282 594 P C -1.095 176.270 177.300 0.107 0.000 1.249 594 P CA -0.258 62.884 63.100 0.069 0.000 0.806 594 P CB 1.009 32.655 31.700 -0.090 0.000 0.984 595 F N 2.153 122.381 119.950 0.464 0.000 2.610 595 F HA 0.253 4.783 4.527 0.006 0.000 0.355 595 F C -0.163 175.928 175.800 0.484 0.000 1.140 595 F CA -0.757 57.548 58.000 0.507 0.000 1.037 595 F CB 1.089 40.348 39.000 0.432 0.000 1.287 595 F HN 0.233 nan 8.300 nan 0.000 0.457 596 Y N 5.659 126.209 120.300 0.417 0.000 2.385 596 Y HA 0.617 5.171 4.550 0.006 0.000 0.341 596 Y C -1.040 174.953 175.900 0.156 0.000 0.965 596 Y CA -2.089 56.160 58.100 0.249 0.000 1.180 596 Y CB 0.720 39.225 38.460 0.075 0.000 1.139 596 Y HN 0.572 nan 8.280 nan 0.000 0.502 597 I N 9.219 129.804 120.570 0.026 0.000 2.412 597 I HA 0.512 4.685 4.170 0.006 0.000 0.296 597 I C -1.690 174.196 176.117 -0.384 0.000 0.987 597 I CA -0.697 60.328 61.300 -0.458 0.000 1.180 597 I CB 0.930 38.598 38.000 -0.553 0.000 1.340 597 I HN 0.689 nan 8.210 nan 0.000 0.455 598 Y N 4.517 124.519 120.300 -0.497 0.000 2.750 598 Y HA 0.440 4.994 4.550 0.006 0.000 0.335 598 Y C -1.882 174.169 175.900 0.251 0.000 1.252 598 Y CA -1.436 56.615 58.100 -0.082 0.000 1.064 598 Y CB 0.215 38.459 38.460 -0.359 0.000 1.321 598 Y HN 0.279 nan 8.280 nan 0.000 0.451 599 Y N 2.376 122.956 120.300 0.467 0.000 2.605 599 Y HA 0.146 4.699 4.550 0.006 0.000 0.336 599 Y C 1.874 177.870 175.900 0.159 0.000 1.111 599 Y CA -0.210 58.065 58.100 0.291 0.000 1.422 599 Y CB 0.690 39.337 38.460 0.311 0.000 1.193 599 Y HN 0.884 nan 8.280 nan 0.000 0.526 600 S N 2.194 117.953 115.700 0.098 0.000 2.392 600 S HA -0.379 4.095 4.470 0.006 0.000 0.232 600 S C 1.995 176.656 174.600 0.101 0.000 1.041 600 S CA 1.641 59.899 58.200 0.095 0.000 1.026 600 S CB -0.383 62.840 63.200 0.038 0.000 0.845 600 S HN 0.729 nan 8.310 nan 0.000 0.465 601 M N 1.254 120.767 119.600 -0.144 0.000 2.144 601 M HA 0.052 4.536 4.480 0.006 0.000 0.260 601 M C 0.519 176.679 176.300 -0.234 0.000 1.067 601 M CA 1.408 56.511 55.300 -0.329 0.000 1.095 601 M CB -0.776 31.441 32.600 -0.638 0.000 1.365 601 M HN 0.349 nan 8.290 nan 0.000 0.406 602 F N -0.429 119.612 119.950 0.151 0.000 2.701 602 F HA 0.410 4.940 4.527 0.006 0.000 0.295 602 F C 1.530 177.262 175.800 -0.114 0.000 1.165 602 F CA -0.259 57.766 58.000 0.042 0.000 1.399 602 F CB -1.625 37.399 39.000 0.040 0.000 0.996 602 F HN 0.113 nan 8.300 nan 0.000 0.513 603 G N -0.222 108.599 108.800 0.035 0.000 3.226 603 G HA2 0.054 4.018 3.960 0.006 0.000 0.190 603 G HA3 0.054 4.018 3.960 0.006 0.000 0.190 603 G C 1.108 175.827 174.900 -0.303 0.000 1.988 603 G CA -0.161 44.739 45.100 -0.333 0.000 0.859 603 G HN 0.121 nan 8.290 nan 0.000 0.631 604 F N 0.868 120.718 119.950 -0.166 0.000 2.154 604 F HA -0.143 4.387 4.527 0.006 0.000 0.301 604 F C 2.942 178.714 175.800 -0.047 0.000 1.087 604 F CA 1.905 59.830 58.000 -0.125 0.000 1.274 604 F CB -0.314 38.586 39.000 -0.167 0.000 1.009 604 F HN 0.307 nan 8.300 nan 0.000 0.485 605 Q N 0.211 120.105 119.800 0.156 0.000 2.181 605 Q HA -0.253 4.090 4.340 0.006 0.000 0.205 605 Q C 2.206 178.270 176.000 0.106 0.000 0.980 605 Q CA 1.705 57.592 55.803 0.140 0.000 0.862 605 Q CB -0.001 28.835 28.738 0.163 0.000 0.905 605 Q HN 0.227 nan 8.270 nan 0.000 0.429 606 R N 0.262 120.809 120.500 0.077 0.000 2.195 606 R HA 0.132 4.475 4.340 0.006 0.000 0.197 606 R C 1.333 177.627 176.300 -0.010 0.000 0.990 606 R CA 0.928 57.061 56.100 0.054 0.000 1.048 606 R CB 0.305 30.662 30.300 0.094 0.000 0.997 606 R HN 0.449 nan 8.270 nan 0.000 0.502 607 I N -3.332 117.200 120.570 -0.062 0.000 3.658 607 I HA 0.539 4.712 4.170 0.006 0.000 0.328 607 I C 0.971 177.057 176.117 -0.052 0.000 1.567 607 I CA -0.254 60.995 61.300 -0.085 0.000 1.078 607 I CB 0.947 38.845 38.000 -0.170 0.000 1.267 607 I HN 0.039 nan 8.210 nan 0.000 0.495 608 G N 1.289 110.101 108.800 0.019 0.000 2.450 608 G HA2 -0.303 3.661 3.960 0.006 0.000 0.220 608 G HA3 -0.303 3.661 3.960 0.006 0.000 0.220 608 G C 1.120 176.113 174.900 0.154 0.000 1.130 608 G CA 1.392 46.563 45.100 0.118 0.000 0.760 608 G HN 0.474 nan 8.290 nan 0.000 0.557 609 D N -0.373 120.088 120.400 0.102 0.000 2.178 609 D HA -0.057 4.586 4.640 0.006 0.000 0.202 609 D C 2.254 178.666 176.300 0.188 0.000 0.974 609 D CA 0.112 54.191 54.000 0.132 0.000 0.841 609 D CB -0.146 40.697 40.800 0.071 0.000 0.953 609 D HN 0.172 nan 8.370 nan 0.000 0.478 610 L N 0.053 121.346 121.223 0.116 0.000 2.109 610 L HA -0.087 4.256 4.340 0.006 0.000 0.207 610 L C 1.815 178.771 176.870 0.144 0.000 1.086 610 L CA 1.161 56.066 54.840 0.107 0.000 0.760 610 L CB -0.889 41.182 42.059 0.021 0.000 0.910 610 L HN 0.197 nan 8.230 nan 0.000 0.437 611 C N -0.777 118.602 119.300 0.131 0.000 2.440 611 C HA -0.195 4.268 4.460 0.006 0.000 0.278 611 C C 2.622 177.852 174.990 0.401 0.000 1.295 611 C CA 0.432 59.568 59.018 0.196 0.000 1.738 611 C CB -1.279 26.574 27.740 0.187 0.000 1.987 611 C HN 0.753 nan 8.230 nan 0.000 0.492 612 W N 1.551 122.965 121.300 0.190 0.000 2.379 612 W HA -0.111 4.552 4.660 0.006 0.000 0.307 612 W C 2.421 179.048 176.519 0.180 0.000 1.200 612 W CA 1.521 58.972 57.345 0.176 0.000 1.297 612 W CB -0.444 29.086 29.460 0.117 0.000 1.140 612 W HN 0.331 nan 8.180 nan 0.000 0.507 613 A N 0.998 124.016 122.820 0.330 0.000 1.908 613 A HA -0.136 4.187 4.320 0.006 0.000 0.218 613 A C 2.113 179.801 177.584 0.173 0.000 1.181 613 A CA 2.643 54.814 52.037 0.225 0.000 0.627 613 A CB -1.322 17.819 19.000 0.236 0.000 0.818 613 A HN 0.315 nan 8.150 nan 0.000 0.445 614 A N -0.521 122.424 122.820 0.209 0.000 1.933 614 A HA 0.110 4.433 4.320 0.006 0.000 0.218 614 A C 2.382 180.125 177.584 0.266 0.000 1.175 614 A CA 1.922 54.093 52.037 0.222 0.000 0.628 614 A CB -1.325 17.825 19.000 0.249 0.000 0.814 614 A HN 0.729 nan 8.150 nan 0.000 0.444 615 G N -0.236 108.732 108.800 0.279 0.000 2.421 615 G HA2 -0.294 3.669 3.960 0.006 0.000 0.216 615 G HA3 -0.294 3.669 3.960 0.006 0.000 0.216 615 G C 1.353 176.253 174.900 0.000 0.000 1.171 615 G CA 1.360 46.553 45.100 0.155 0.000 0.775 615 G HN 0.519 nan 8.290 nan 0.000 0.543 616 D N 0.095 120.453 120.400 -0.071 0.000 2.144 616 D HA -0.113 4.530 4.640 0.006 0.000 0.199 616 D C 2.265 178.603 176.300 0.064 0.000 0.984 616 D CA 0.907 54.888 54.000 -0.031 0.000 0.834 616 D CB -0.275 40.532 40.800 0.012 0.000 0.955 616 D HN 0.436 nan 8.370 nan 0.000 0.465 617 Q N -0.507 119.351 119.800 0.097 0.000 2.415 617 Q HA -0.000 4.343 4.340 0.006 0.000 0.206 617 Q C -0.226 175.825 176.000 0.085 0.000 0.946 617 Q CA 0.072 55.928 55.803 0.089 0.000 0.951 617 Q CB 0.081 28.887 28.738 0.113 0.000 1.026 617 Q HN 0.170 nan 8.270 nan 0.000 0.510 618 Q N -1.526 118.345 119.800 0.119 0.000 2.468 618 Q HA -0.213 4.130 4.340 0.006 0.000 0.289 618 Q C -0.603 175.533 176.000 0.228 0.000 1.299 618 Q CA 0.923 56.824 55.803 0.163 0.000 0.838 618 Q CB -2.360 26.479 28.738 0.169 0.000 1.195 618 Q HN 0.486 nan 8.270 nan 0.000 0.456 619 A N 1.166 124.103 122.820 0.196 0.000 2.462 619 A HA 0.399 4.722 4.320 0.006 0.000 0.243 619 A C 0.430 178.108 177.584 0.158 0.000 1.076 619 A CA 0.191 52.279 52.037 0.085 0.000 0.773 619 A CB 0.418 19.330 19.000 -0.145 0.000 1.010 619 A HN 0.323 nan 8.150 nan 0.000 0.493 620 R N 1.654 122.193 120.500 0.064 0.000 2.422 620 R HA 0.572 4.915 4.340 0.006 0.000 0.307 620 R C 0.109 176.424 176.300 0.025 0.000 1.004 620 R CA 0.144 56.259 56.100 0.025 0.000 0.882 620 R CB 1.864 32.003 30.300 -0.269 0.000 1.164 620 R HN 1.063 nan 8.270 nan 0.000 0.489 621 G N 1.703 110.514 108.800 0.019 0.000 2.488 621 G HA2 0.461 4.424 3.960 0.006 0.000 0.301 621 G HA3 0.461 4.424 3.960 0.006 0.000 0.301 621 G C -1.823 173.192 174.900 0.192 0.000 1.339 621 G CA -0.650 44.445 45.100 -0.009 0.000 0.803 621 G HN 0.218 nan 8.290 nan 0.000 0.482 622 F N 0.042 120.227 119.950 0.392 0.000 2.482 622 F HA 0.661 5.192 4.527 0.006 0.000 0.331 622 F C 0.197 176.230 175.800 0.388 0.000 1.115 622 F CA -0.700 57.523 58.000 0.372 0.000 0.955 622 F CB 2.238 41.286 39.000 0.081 0.000 1.136 622 F HN 0.111 nan 8.300 nan 0.000 0.452 623 L N 5.131 126.604 121.223 0.417 0.000 2.305 623 L HA 0.496 4.839 4.340 0.006 0.000 0.284 623 L C -0.852 176.125 176.870 0.178 0.000 1.013 623 L CA -0.625 54.295 54.840 0.134 0.000 0.819 623 L CB 1.265 43.326 42.059 0.003 0.000 1.227 623 L HN 0.439 nan 8.230 nan 0.000 0.417 624 I N 3.318 123.804 120.570 -0.139 0.000 2.330 624 I HA 0.242 4.415 4.170 0.006 0.000 0.286 624 I C 0.824 176.453 176.117 -0.813 0.000 1.025 624 I CA -0.214 60.816 61.300 -0.450 0.000 1.197 624 I CB 1.278 38.818 38.000 -0.766 0.000 1.358 624 I HN 0.588 nan 8.210 nan 0.000 0.467 625 G N 5.540 113.977 108.800 -0.606 0.000 2.639 625 G HA2 0.453 4.416 3.960 0.006 0.000 0.312 625 G HA3 0.453 4.416 3.960 0.006 0.000 0.312 625 G C 0.532 175.153 174.900 -0.465 0.000 0.911 625 G CA -0.285 44.441 45.100 -0.623 0.000 1.410 625 G HN 0.730 nan 8.290 nan 0.000 0.469 626 G N 1.265 109.743 108.800 -0.538 0.000 2.621 626 G HA2 0.464 4.428 3.960 0.006 0.000 0.271 626 G HA3 0.464 4.428 3.960 0.006 0.000 0.271 626 G C 0.963 175.894 174.900 0.052 0.000 1.236 626 G CA 0.444 45.395 45.100 -0.248 0.000 0.958 626 G HN 1.571 nan 8.290 nan 0.000 0.512 627 T N -2.466 112.181 114.554 0.154 0.000 3.622 627 T HA -0.208 4.146 4.350 0.006 0.000 0.380 627 T C 0.594 175.273 174.700 -0.034 0.000 0.764 627 T CA 0.858 62.973 62.100 0.025 0.000 1.908 627 T CB -2.577 66.205 68.868 -0.143 0.000 1.771 627 T HN 1.752 nan 8.240 nan 0.000 0.706 628 S N -0.267 115.421 115.700 -0.020 0.000 2.707 628 S HA 0.777 5.251 4.470 0.006 0.000 0.276 628 S C 0.806 175.360 174.600 -0.077 0.000 1.179 628 S CA -0.088 58.100 58.200 -0.020 0.000 0.992 628 S CB 1.528 64.766 63.200 0.063 0.000 1.030 628 S HN 2.438 nan 8.310 nan 0.000 0.554 629 G N 0.645 109.311 108.800 -0.223 0.000 3.039 629 G HA2 -0.116 3.847 3.960 0.006 0.000 0.686 629 G HA3 -0.116 3.847 3.960 0.006 0.000 0.686 629 G C -0.032 174.643 174.900 -0.375 0.000 1.066 629 G CA -0.027 44.806 45.100 -0.446 0.000 0.774 629 G HN 0.883 nan 8.290 nan 0.000 0.591 630 R N 0.673 120.870 120.500 -0.504 0.000 2.083 630 R HA -0.087 4.257 4.340 0.006 0.000 0.237 630 R C 3.016 179.153 176.300 -0.272 0.000 1.137 630 R CA 3.337 59.187 56.100 -0.418 0.000 0.951 630 R CB -0.417 29.473 30.300 -0.684 0.000 0.851 630 R HN 1.110 nan 8.270 nan 0.000 0.434 631 T N -4.069 110.341 114.554 -0.240 0.000 3.081 631 T HA 0.069 4.423 4.350 0.006 0.000 0.255 631 T C 1.525 176.207 174.700 -0.031 0.000 1.113 631 T CA 0.952 63.013 62.100 -0.065 0.000 1.082 631 T CB 0.066 68.919 68.868 -0.024 0.000 0.939 631 T HN 0.153 nan 8.240 nan 0.000 0.506 632 T N 1.988 116.506 114.554 -0.060 0.000 2.896 632 T HA 0.190 4.543 4.350 0.006 0.000 0.263 632 T C 0.706 175.395 174.700 -0.019 0.000 1.050 632 T CA 0.281 62.373 62.100 -0.013 0.000 1.140 632 T CB -0.253 68.617 68.868 0.002 0.000 0.877 632 T HN 0.262 nan 8.240 nan 0.000 0.457 633 L N 4.480 125.673 121.223 -0.050 0.000 2.536 633 L HA 0.307 4.651 4.340 0.006 0.000 0.242 633 L C 1.358 178.201 176.870 -0.044 0.000 1.280 633 L CA -0.545 54.255 54.840 -0.066 0.000 1.221 633 L CB -0.575 41.425 42.059 -0.098 0.000 1.449 633 L HN 0.115 nan 8.230 nan 0.000 0.405 634 N N 0.619 119.307 118.700 -0.020 0.000 2.166 634 N HA -0.149 4.595 4.740 0.006 0.000 0.186 634 N C 1.359 176.866 175.510 -0.004 0.000 1.019 634 N CA 1.383 54.437 53.050 0.005 0.000 0.856 634 N CB -0.337 38.163 38.487 0.021 0.000 0.993 634 N HN 0.517 nan 8.380 nan 0.000 0.426 635 G N 0.448 109.229 108.800 -0.032 0.000 2.551 635 G HA2 -0.086 3.878 3.960 0.006 0.000 0.216 635 G HA3 -0.086 3.878 3.960 0.006 0.000 0.216 635 G C 1.429 176.289 174.900 -0.067 0.000 1.137 635 G CA -0.006 45.070 45.100 -0.041 0.000 0.798 635 G HN 0.207 nan 8.290 nan 0.000 0.536 636 E N 0.579 120.714 120.200 -0.108 0.000 2.150 636 E HA 0.138 4.491 4.350 0.006 0.000 0.193 636 E C 1.778 178.337 176.600 -0.068 0.000 0.985 636 E CA 0.770 57.050 56.400 -0.200 0.000 0.814 636 E CB -0.251 29.231 29.700 -0.363 0.000 0.752 636 E HN 0.445 nan 8.360 nan 0.000 0.466 637 G N 0.863 109.676 108.800 0.022 0.000 2.615 637 G HA2 -0.277 3.687 3.960 0.006 0.000 0.218 637 G HA3 -0.277 3.687 3.960 0.006 0.000 0.218 637 G C 0.475 175.471 174.900 0.160 0.000 1.339 637 G CA -0.129 45.023 45.100 0.087 0.000 0.884 637 G HN 0.208 nan 8.290 nan 0.000 0.559 638 L N 0.332 121.653 121.223 0.164 0.000 2.021 638 L HA -0.100 4.243 4.340 0.006 0.000 0.215 638 L C 2.326 179.335 176.870 0.232 0.000 1.074 638 L CA 3.346 58.309 54.840 0.205 0.000 0.760 638 L CB -1.277 40.853 42.059 0.118 0.000 0.889 638 L HN 0.748 nan 8.230 nan 0.000 0.433 639 Q N -2.128 117.815 119.800 0.238 0.000 2.360 639 Q HA -0.023 4.320 4.340 0.006 0.000 0.202 639 Q C 1.015 177.061 176.000 0.077 0.000 0.915 639 Q CA 0.299 56.223 55.803 0.202 0.000 0.943 639 Q CB 0.242 29.102 28.738 0.202 0.000 1.064 639 Q HN 0.677 nan 8.270 nan 0.000 0.511 640 H N -0.602 118.499 119.070 0.051 0.000 2.800 640 H HA 0.164 4.724 4.556 0.006 0.000 0.257 640 H C -0.193 175.070 175.328 -0.108 0.000 0.967 640 H CA -0.111 55.895 56.048 -0.071 0.000 1.192 640 H CB 0.757 30.509 29.762 -0.017 0.000 1.441 640 H HN 0.053 nan 8.280 nan 0.000 0.461 641 E N 2.329 122.585 120.200 0.093 0.000 2.081 641 E HA 0.007 4.361 4.350 0.006 0.000 0.270 641 E C -0.670 175.905 176.600 -0.042 0.000 1.180 641 E CA -0.184 56.218 56.400 0.003 0.000 0.926 641 E CB 0.297 30.016 29.700 0.032 0.000 1.035 641 E HN 0.247 nan 8.360 nan 0.000 0.418 642 D N 2.435 122.755 120.400 -0.132 0.000 2.339 642 D HA 0.156 4.800 4.640 0.006 0.000 0.241 642 D C 0.467 176.588 176.300 -0.298 0.000 1.183 642 D CA -0.349 53.525 54.000 -0.210 0.000 0.859 642 D CB 0.773 41.459 40.800 -0.189 0.000 1.067 642 D HN 0.450 nan 8.370 nan 0.000 0.484 643 G N 3.010 111.699 108.800 -0.185 0.000 3.969 643 G HA2 0.025 3.989 3.960 0.006 0.000 0.291 643 G HA3 0.025 3.989 3.960 0.006 0.000 0.291 643 G C 0.461 175.462 174.900 0.168 0.000 1.016 643 G CA -0.400 44.533 45.100 -0.277 0.000 0.819 643 G HN 0.698 nan 8.290 nan 0.000 0.493 644 H N -1.814 117.343 119.070 0.145 0.000 3.726 644 H HA 0.072 4.632 4.556 0.006 0.000 0.262 644 H C 1.642 177.007 175.328 0.063 0.000 1.181 644 H CA 0.688 56.802 56.048 0.110 0.000 1.143 644 H CB -0.461 29.306 29.762 0.008 0.000 1.627 644 H HN 0.214 nan 8.280 nan 0.000 0.750 645 S N 0.744 116.346 115.700 -0.164 0.000 2.400 645 S HA -0.211 4.262 4.470 0.006 0.000 0.232 645 S C 1.588 176.037 174.600 -0.251 0.000 1.025 645 S CA 1.208 59.325 58.200 -0.138 0.000 0.993 645 S CB -0.821 62.388 63.200 0.015 0.000 0.808 645 S HN 0.475 nan 8.310 nan 0.000 0.478 646 H N 0.954 119.861 119.070 -0.272 0.000 2.491 646 H HA 0.119 4.679 4.556 0.006 0.000 0.290 646 H C 1.837 177.028 175.328 -0.228 0.000 1.050 646 H CA 1.246 57.063 56.048 -0.384 0.000 1.309 646 H CB -0.049 29.082 29.762 -1.052 0.000 1.392 646 H HN 0.398 nan 8.280 nan 0.000 0.554 647 I N 0.658 121.198 120.570 -0.050 0.000 2.500 647 I HA -0.162 4.012 4.170 0.006 0.000 0.252 647 I C 2.106 178.184 176.117 -0.065 0.000 1.142 647 I CA 0.880 62.186 61.300 0.011 0.000 1.451 647 I CB -0.786 37.252 38.000 0.062 0.000 1.093 647 I HN 0.231 nan 8.210 nan 0.000 0.430 648 Q N 0.663 120.383 119.800 -0.132 0.000 2.083 648 Q HA -0.130 4.213 4.340 0.006 0.000 0.198 648 Q C 2.386 178.115 176.000 -0.452 0.000 0.969 648 Q CA 2.023 57.710 55.803 -0.193 0.000 0.838 648 Q CB -0.157 28.522 28.738 -0.097 0.000 0.900 648 Q HN 0.569 nan 8.270 nan 0.000 0.436 649 S N 1.169 116.364 115.700 -0.842 0.000 2.423 649 S HA -0.125 4.349 4.470 0.006 0.000 0.231 649 S C 1.933 176.294 174.600 -0.398 0.000 1.014 649 S CA 1.038 58.588 58.200 -1.083 0.000 0.965 649 S CB -0.459 61.983 63.200 -1.262 0.000 0.785 649 S HN 0.418 nan 8.310 nan 0.000 0.495 650 L N 1.898 123.000 121.223 -0.201 0.000 2.549 650 L HA 0.190 4.534 4.340 0.006 0.000 0.229 650 L C 2.063 178.912 176.870 -0.036 0.000 1.158 650 L CA 1.477 56.273 54.840 -0.072 0.000 0.842 650 L CB -2.014 40.052 42.059 0.011 0.000 0.952 650 L HN 0.464 nan 8.230 nan 0.000 0.452 651 T N -2.877 111.660 114.554 -0.028 0.000 3.088 651 T HA 0.243 4.596 4.350 0.006 0.000 0.259 651 T C 0.845 175.685 174.700 0.233 0.000 1.122 651 T CA 0.135 62.281 62.100 0.077 0.000 1.095 651 T CB -0.574 68.328 68.868 0.055 0.000 0.930 651 T HN 0.313 nan 8.240 nan 0.000 0.508 652 I N 2.835 123.484 120.570 0.132 0.000 2.291 652 I HA 0.257 4.431 4.170 0.006 0.000 0.290 652 I C -1.612 174.461 176.117 -0.074 0.000 1.050 652 I CA -2.621 58.741 61.300 0.103 0.000 1.245 652 I CB 1.745 39.795 38.000 0.083 0.000 1.405 652 I HN -0.060 nan 8.210 nan 0.000 0.478 653 P HA -0.203 nan 4.420 nan 0.000 0.216 653 P C 0.548 177.749 177.300 -0.164 0.000 1.154 653 P CA 1.469 64.499 63.100 -0.116 0.000 0.865 653 P CB -0.037 31.591 31.700 -0.119 0.000 0.789 654 N N -2.046 116.519 118.700 -0.225 0.000 2.320 654 N HA 0.035 4.779 4.740 0.006 0.000 0.237 654 N C -0.729 174.527 175.510 -0.423 0.000 1.129 654 N CA -0.384 52.521 53.050 -0.243 0.000 0.854 654 N CB -1.150 37.240 38.487 -0.163 0.000 1.083 654 N HN 0.079 nan 8.380 nan 0.000 0.504 655 C N 1.382 120.399 119.300 -0.473 0.000 2.329 655 C HA 0.601 5.064 4.460 0.006 0.000 0.329 655 C C -0.639 174.163 174.990 -0.312 0.000 1.275 655 C CA -0.941 57.721 59.018 -0.592 0.000 1.726 655 C CB -0.618 26.831 27.740 -0.486 0.000 2.291 655 C HN 0.334 nan 8.230 nan 0.000 0.514 656 I N 6.105 126.492 120.570 -0.306 0.000 2.330 656 I HA 0.341 4.514 4.170 0.006 0.000 0.289 656 I C 0.369 176.303 176.117 -0.304 0.000 1.001 656 I CA 0.174 61.237 61.300 -0.395 0.000 1.193 656 I CB 1.086 38.687 38.000 -0.665 0.000 1.345 656 I HN 0.673 nan 8.210 nan 0.000 0.461 657 S N 6.591 122.150 115.700 -0.236 0.000 2.475 657 S HA 0.730 5.204 4.470 0.006 0.000 0.298 657 S C -0.939 173.550 174.600 -0.184 0.000 1.119 657 S CA -0.472 57.730 58.200 0.003 0.000 1.085 657 S CB 1.337 64.681 63.200 0.240 0.000 1.028 657 S HN 0.355 nan 8.310 nan 0.000 0.489 658 Y N 0.621 120.995 120.300 0.124 0.000 2.512 658 Y HA 0.438 4.991 4.550 0.006 0.000 0.348 658 Y C -0.323 175.610 175.900 0.055 0.000 0.990 658 Y CA -0.989 57.151 58.100 0.067 0.000 1.033 658 Y CB 1.800 40.300 38.460 0.066 0.000 1.259 658 Y HN 0.588 nan 8.280 nan 0.000 0.461 659 D N 3.801 124.286 120.400 0.143 0.000 2.513 659 D HA 0.272 4.915 4.640 0.006 0.000 0.295 659 D C -2.924 173.440 176.300 0.107 0.000 1.202 659 D CA -2.136 51.911 54.000 0.079 0.000 0.849 659 D CB 0.878 41.634 40.800 -0.073 0.000 1.116 659 D HN 0.059 nan 8.370 nan 0.000 0.502 660 P HA 0.192 nan 4.420 nan 0.000 0.275 660 P C 0.086 177.384 177.300 -0.002 0.000 1.228 660 P CA -0.259 62.868 63.100 0.045 0.000 0.786 660 P CB 2.096 33.818 31.700 0.036 0.000 0.927 661 A N 2.494 125.239 122.820 -0.126 0.000 2.063 661 A HA 0.147 4.471 4.320 0.006 0.000 0.211 661 A C 0.263 177.733 177.584 -0.190 0.000 1.177 661 A CA 0.941 52.842 52.037 -0.227 0.000 0.759 661 A CB -0.392 18.264 19.000 -0.574 0.000 0.857 661 A HN 0.527 nan 8.150 nan 0.000 0.468 662 Y N -2.434 117.828 120.300 -0.063 0.000 2.549 662 Y HA 0.612 5.165 4.550 0.006 0.000 0.339 662 Y C 1.399 177.154 175.900 -0.241 0.000 1.053 662 Y CA -1.300 56.681 58.100 -0.198 0.000 1.105 662 Y CB 1.301 39.410 38.460 -0.584 0.000 1.258 662 Y HN 0.054 nan 8.280 nan 0.000 0.478 663 A N 1.391 124.240 122.820 0.048 0.000 1.908 663 A HA -0.240 4.084 4.320 0.006 0.000 0.218 663 A C 1.786 179.397 177.584 0.044 0.000 1.181 663 A CA 2.183 54.241 52.037 0.035 0.000 0.627 663 A CB -1.355 17.678 19.000 0.055 0.000 0.818 663 A HN 0.898 nan 8.150 nan 0.000 0.445 664 Y N -0.347 120.015 120.300 0.103 0.000 2.352 664 Y HA 0.010 4.564 4.550 0.006 0.000 0.292 664 Y C 1.748 177.677 175.900 0.048 0.000 1.136 664 Y CA 1.127 59.260 58.100 0.055 0.000 1.227 664 Y CB -0.802 37.675 38.460 0.028 0.000 0.991 664 Y HN 0.404 nan 8.280 nan 0.000 0.545 665 E N 0.705 120.828 120.200 -0.129 0.000 2.107 665 E HA -0.101 4.253 4.350 0.006 0.000 0.191 665 E C 2.270 178.857 176.600 -0.021 0.000 0.982 665 E CA 1.271 57.660 56.400 -0.018 0.000 0.809 665 E CB -0.174 29.489 29.700 -0.062 0.000 0.756 665 E HN 0.376 nan 8.360 nan 0.000 0.459 666 V N 1.592 121.494 119.914 -0.020 0.000 2.287 666 V HA -0.307 3.816 4.120 0.006 0.000 0.248 666 V C 2.353 178.418 176.094 -0.048 0.000 1.053 666 V CA 1.968 64.266 62.300 -0.003 0.000 1.027 666 V CB -0.744 31.102 31.823 0.039 0.000 0.646 666 V HN 0.330 nan 8.190 nan 0.000 0.447 667 A N -0.284 122.504 122.820 -0.053 0.000 1.877 667 A HA -0.169 4.154 4.320 0.006 0.000 0.216 667 A C 2.374 179.794 177.584 -0.274 0.000 1.186 667 A CA 2.177 54.099 52.037 -0.192 0.000 0.620 667 A CB -0.729 18.246 19.000 -0.042 0.000 0.822 667 A HN 0.345 nan 8.150 nan 0.000 0.443 668 V N 0.191 120.044 119.914 -0.102 0.000 2.427 668 V HA -0.243 3.881 4.120 0.006 0.000 0.248 668 V C 2.392 178.450 176.094 -0.060 0.000 1.051 668 V CA 1.895 64.158 62.300 -0.063 0.000 1.048 668 V CB -0.678 31.145 31.823 0.000 0.000 0.666 668 V HN 0.559 nan 8.190 nan 0.000 0.456 669 I N -0.796 119.708 120.570 -0.110 0.000 2.252 669 I HA -0.271 3.902 4.170 0.006 0.000 0.245 669 I C 2.480 178.587 176.117 -0.016 0.000 1.102 669 I CA 1.738 62.948 61.300 -0.150 0.000 1.385 669 I CB -0.277 37.534 38.000 -0.315 0.000 1.064 669 I HN 0.265 nan 8.210 nan 0.000 0.414 670 M N -0.477 119.092 119.600 -0.051 0.000 2.132 670 M HA -0.226 4.257 4.480 0.006 0.000 0.263 670 M C 2.527 178.775 176.300 -0.086 0.000 1.065 670 M CA 1.599 56.871 55.300 -0.045 0.000 1.122 670 M CB -0.800 31.690 32.600 -0.182 0.000 1.365 670 M HN 0.339 nan 8.290 nan 0.000 0.411 671 H N 0.074 118.942 119.070 -0.336 0.000 2.352 671 H HA -0.204 4.355 4.556 0.006 0.000 0.299 671 H C 1.469 176.778 175.328 -0.032 0.000 1.097 671 H CA 2.302 58.214 56.048 -0.226 0.000 1.311 671 H CB -0.154 29.419 29.762 -0.315 0.000 1.377 671 H HN 0.335 nan 8.280 nan 0.000 0.504 672 D N -0.296 120.011 120.400 -0.155 0.000 2.097 672 D HA -0.072 4.572 4.640 0.006 0.000 0.197 672 D C 2.488 178.698 176.300 -0.150 0.000 0.984 672 D CA 1.589 55.512 54.000 -0.128 0.000 0.826 672 D CB -0.751 40.081 40.800 0.054 0.000 0.973 672 D HN 0.529 nan 8.370 nan 0.000 0.460 673 G N 0.378 109.023 108.800 -0.259 0.000 2.446 673 G HA2 -0.248 3.715 3.960 0.006 0.000 0.217 673 G HA3 -0.248 3.715 3.960 0.006 0.000 0.217 673 G C 1.571 176.321 174.900 -0.250 0.000 1.168 673 G CA 0.872 45.523 45.100 -0.748 0.000 0.771 673 G HN 0.325 nan 8.290 nan 0.000 0.551 674 L N 0.653 121.924 121.223 0.079 0.000 2.013 674 L HA -0.075 4.269 4.340 0.006 0.000 0.212 674 L C 2.703 179.619 176.870 0.077 0.000 1.073 674 L CA 2.545 57.507 54.840 0.203 0.000 0.753 674 L CB -0.603 41.576 42.059 0.200 0.000 0.890 674 L HN 0.313 nan 8.230 nan 0.000 0.432 675 E N -0.546 119.601 120.200 -0.089 0.000 2.077 675 E HA -0.194 4.160 4.350 0.006 0.000 0.193 675 E C 2.334 178.912 176.600 -0.036 0.000 0.989 675 E CA 1.363 57.715 56.400 -0.080 0.000 0.800 675 E CB -0.052 29.523 29.700 -0.209 0.000 0.746 675 E HN 0.402 nan 8.360 nan 0.000 0.452 676 R N -0.745 119.723 120.500 -0.054 0.000 2.075 676 R HA -0.003 4.341 4.340 0.006 0.000 0.232 676 R C 2.485 178.735 176.300 -0.084 0.000 1.126 676 R CA 1.799 57.877 56.100 -0.037 0.000 0.963 676 R CB -0.215 30.097 30.300 0.021 0.000 0.858 676 R HN 0.290 nan 8.270 nan 0.000 0.435 677 M N -1.389 118.140 119.600 -0.119 0.000 2.216 677 M HA -0.039 4.445 4.480 0.006 0.000 0.264 677 M C 0.903 176.911 176.300 -0.488 0.000 1.080 677 M CA 1.536 56.657 55.300 -0.299 0.000 1.153 677 M CB 0.187 32.613 32.600 -0.291 0.000 1.356 677 M HN 0.098 nan 8.290 nan 0.000 0.432 678 Y N -0.141 120.180 120.300 0.036 0.000 2.481 678 Y HA 0.370 4.924 4.550 0.006 0.000 0.247 678 Y C 1.411 177.448 175.900 0.228 0.000 1.151 678 Y CA -0.654 57.552 58.100 0.176 0.000 1.238 678 Y CB -0.062 38.429 38.460 0.052 0.000 1.179 678 Y HN 0.071 nan 8.280 nan 0.000 0.524 679 G N -0.029 108.871 108.800 0.166 0.000 2.510 679 G HA2 0.089 4.053 3.960 0.006 0.000 0.280 679 G HA3 0.089 4.053 3.960 0.006 0.000 0.280 679 G C 0.602 175.531 174.900 0.047 0.000 1.386 679 G CA -0.350 44.820 45.100 0.117 0.000 1.047 679 G HN 0.276 nan 8.290 nan 0.000 0.527 680 E N -0.674 119.535 120.200 0.015 0.000 2.209 680 E HA -0.150 4.204 4.350 0.006 0.000 0.196 680 E C 2.172 178.719 176.600 -0.089 0.000 0.993 680 E CA 0.975 57.349 56.400 -0.043 0.000 0.819 680 E CB 0.050 29.738 29.700 -0.020 0.000 0.745 680 E HN 0.509 nan 8.360 nan 0.000 0.477 681 K N 1.028 121.388 120.400 -0.068 0.000 2.147 681 K HA -0.179 4.145 4.320 0.006 0.000 0.205 681 K C 0.255 176.775 176.600 -0.133 0.000 1.049 681 K CA 0.823 57.060 56.287 -0.082 0.000 0.936 681 K CB 0.094 32.561 32.500 -0.055 0.000 0.722 681 K HN 0.033 nan 8.250 nan 0.000 0.446 682 Q N 1.372 121.066 119.800 -0.176 0.000 2.437 682 Q HA -0.201 4.142 4.340 0.006 0.000 0.354 682 Q C -0.943 174.923 176.000 -0.223 0.000 1.402 682 Q CA 0.637 56.279 55.803 -0.268 0.000 1.020 682 Q CB -1.225 27.283 28.738 -0.384 0.000 1.220 682 Q HN 0.437 nan 8.270 nan 0.000 0.368 683 E N 0.880 120.974 120.200 -0.175 0.000 2.338 683 E HA 0.080 4.433 4.350 0.006 0.000 0.272 683 E C -0.105 176.413 176.600 -0.135 0.000 1.029 683 E CA -0.428 55.900 56.400 -0.119 0.000 0.872 683 E CB 0.630 30.292 29.700 -0.062 0.000 1.015 683 E HN 0.200 nan 8.360 nan 0.000 0.417 684 N N 3.986 122.635 118.700 -0.085 0.000 2.968 684 N HA 0.139 4.882 4.740 0.006 0.000 0.271 684 N C -1.114 174.390 175.510 -0.010 0.000 1.174 684 N CA 0.074 53.097 53.050 -0.046 0.000 1.096 684 N CB 0.890 39.375 38.487 -0.003 0.000 1.403 684 N HN 0.177 nan 8.380 nan 0.000 0.522 685 V N 2.223 122.142 119.914 0.008 0.000 3.114 685 V HA 0.607 4.731 4.120 0.006 0.000 0.308 685 V C -1.685 174.509 176.094 0.167 0.000 1.168 685 V CA -0.825 61.493 62.300 0.029 0.000 1.015 685 V CB 2.191 34.026 31.823 0.020 0.000 1.050 685 V HN 0.443 nan 8.190 nan 0.000 0.433 686 Y N 2.571 122.968 120.300 0.161 0.000 2.602 686 Y HA 0.841 5.395 4.550 0.006 0.000 0.342 686 Y C -1.652 174.439 175.900 0.319 0.000 1.029 686 Y CA -1.602 56.648 58.100 0.251 0.000 1.080 686 Y CB 1.215 39.916 38.460 0.401 0.000 1.284 686 Y HN 0.521 nan 8.280 nan 0.000 0.485 687 Y N 1.408 121.887 120.300 0.299 0.000 2.420 687 Y HA 0.468 5.021 4.550 0.006 0.000 0.334 687 Y C -1.110 175.095 175.900 0.509 0.000 1.094 687 Y CA -1.337 56.936 58.100 0.288 0.000 1.126 687 Y CB 1.609 40.125 38.460 0.094 0.000 1.217 687 Y HN 0.686 nan 8.280 nan 0.000 0.462 688 Y N 4.299 124.821 120.300 0.369 0.000 2.329 688 Y HA 0.654 5.208 4.550 0.006 0.000 0.328 688 Y C -1.561 174.515 175.900 0.293 0.000 0.992 688 Y CA -1.912 56.381 58.100 0.322 0.000 1.151 688 Y CB 0.560 39.201 38.460 0.302 0.000 1.150 688 Y HN 0.477 nan 8.280 nan 0.000 0.450 689 I N 5.993 126.498 120.570 -0.108 0.000 2.447 689 I HA 0.338 4.511 4.170 0.006 0.000 0.287 689 I C -0.342 175.515 176.117 -0.434 0.000 1.023 689 I CA -0.956 60.260 61.300 -0.139 0.000 1.083 689 I CB 2.283 40.345 38.000 0.103 0.000 1.245 689 I HN 0.624 nan 8.210 nan 0.000 0.434 690 T N 1.403 115.721 114.554 -0.394 0.000 2.856 690 T HA 0.572 4.925 4.350 0.006 0.000 0.292 690 T C 0.129 174.754 174.700 -0.125 0.000 0.980 690 T CA -0.604 61.318 62.100 -0.297 0.000 1.091 690 T CB 1.290 70.109 68.868 -0.081 0.000 0.936 690 T HN 0.708 nan 8.240 nan 0.000 0.503 691 T N 0.850 115.314 114.554 -0.150 0.000 2.926 691 T HA 0.758 5.111 4.350 0.006 0.000 0.289 691 T C -0.465 174.218 174.700 -0.028 0.000 1.054 691 T CA -1.112 60.938 62.100 -0.083 0.000 1.015 691 T CB 1.002 69.789 68.868 -0.136 0.000 1.167 691 T HN 0.583 nan 8.240 nan 0.000 0.526 692 L N 1.727 122.953 121.223 0.005 0.000 2.319 692 L HA 0.562 4.905 4.340 0.006 0.000 0.267 692 L C 0.786 177.673 176.870 0.028 0.000 1.011 692 L CA -1.190 53.665 54.840 0.025 0.000 0.818 692 L CB 1.509 43.597 42.059 0.048 0.000 1.316 692 L HN 0.883 nan 8.230 nan 0.000 0.432 693 N N -0.371 118.348 118.700 0.032 0.000 2.214 693 N HA 0.017 4.760 4.740 0.006 0.000 0.214 693 N C -0.258 175.259 175.510 0.011 0.000 1.132 693 N CA -0.219 52.851 53.050 0.032 0.000 0.856 693 N CB 0.470 38.968 38.487 0.019 0.000 1.020 693 N HN 0.720 nan 8.380 nan 0.000 0.509 694 E N 0.839 121.039 120.200 0.001 0.000 2.151 694 E HA 0.227 4.580 4.350 0.006 0.000 0.275 694 E C -1.004 175.524 176.600 -0.120 0.000 0.936 694 E CA -0.664 55.747 56.400 0.019 0.000 0.777 694 E CB 0.669 30.454 29.700 0.141 0.000 1.108 694 E HN 0.070 nan 8.360 nan 0.000 0.401 695 N N 3.556 122.220 118.700 -0.059 0.000 2.499 695 N HA 0.238 4.982 4.740 0.006 0.000 0.281 695 N C -1.043 174.475 175.510 0.015 0.000 1.098 695 N CA 0.142 53.124 53.050 -0.113 0.000 0.979 695 N CB 0.714 39.191 38.487 -0.016 0.000 1.121 695 N HN 0.421 nan 8.380 nan 0.000 0.466 696 Y N -2.455 117.900 120.300 0.093 0.000 2.764 696 Y HA 0.320 4.873 4.550 0.006 0.000 0.331 696 Y C -0.253 175.733 175.900 0.142 0.000 1.280 696 Y CA -1.243 56.926 58.100 0.116 0.000 1.065 696 Y CB 0.545 39.074 38.460 0.114 0.000 1.319 696 Y HN 0.426 nan 8.280 nan 0.000 0.453 697 H N 3.218 122.495 119.070 0.344 0.000 2.886 697 H HA 0.261 4.820 4.556 0.006 0.000 0.329 697 H C -0.968 174.517 175.328 0.262 0.000 1.044 697 H CA 0.309 56.486 56.048 0.214 0.000 1.456 697 H CB 0.749 30.586 29.762 0.126 0.000 1.464 697 H HN 0.566 nan 8.280 nan 0.000 0.573 698 M N 8.521 127.889 119.600 -0.385 0.000 2.036 698 M HA 0.240 4.724 4.480 0.006 0.000 0.337 698 M C -2.435 173.553 176.300 -0.520 0.000 1.012 698 M CA -2.216 52.918 55.300 -0.276 0.000 0.962 698 M CB 1.162 33.715 32.600 -0.078 0.000 1.423 698 M HN 0.483 nan 8.290 nan 0.000 0.405 699 P HA 0.282 nan 4.420 nan 0.000 0.274 699 P C -0.476 176.786 177.300 -0.062 0.000 1.256 699 P CA -0.321 62.644 63.100 -0.224 0.000 0.795 699 P CB 0.833 32.447 31.700 -0.143 0.000 1.038 700 A N 2.001 124.780 122.820 -0.068 0.000 2.366 700 A HA 0.335 4.659 4.320 0.006 0.000 0.249 700 A C 0.676 178.019 177.584 -0.401 0.000 1.084 700 A CA -0.608 51.355 52.037 -0.123 0.000 0.794 700 A CB -0.278 18.663 19.000 -0.099 0.000 1.034 700 A HN 0.714 nan 8.150 nan 0.000 0.491 701 M N 1.781 120.965 119.600 -0.694 0.000 2.238 701 M HA 0.241 4.725 4.480 0.006 0.000 0.350 701 M C -2.203 173.744 176.300 -0.587 0.000 1.321 701 M CA -1.264 53.266 55.300 -1.282 0.000 1.097 701 M CB 0.263 32.329 32.600 -0.891 0.000 1.713 701 M HN 0.322 nan 8.290 nan 0.000 0.455 702 P HA 0.040 nan 4.420 nan 0.000 0.268 702 P C -1.261 175.934 177.300 -0.175 0.000 1.204 702 P CA -0.045 62.940 63.100 -0.192 0.000 0.768 702 P CB 0.448 32.117 31.700 -0.050 0.000 0.842 703 E N 1.784 121.918 120.200 -0.111 0.000 2.414 703 E HA 0.208 4.561 4.350 0.006 0.000 0.263 703 E C 1.084 177.642 176.600 -0.070 0.000 1.000 703 E CA 0.807 57.154 56.400 -0.089 0.000 0.914 703 E CB -0.299 29.366 29.700 -0.058 0.000 0.948 703 E HN 0.744 nan 8.360 nan 0.000 0.444 704 G N 2.839 111.596 108.800 -0.070 0.000 2.184 704 G HA2 -0.363 3.600 3.960 0.006 0.000 0.264 704 G HA3 -0.363 3.600 3.960 0.006 0.000 0.264 704 G C 0.779 175.643 174.900 -0.062 0.000 0.975 704 G CA 0.505 45.577 45.100 -0.047 0.000 0.642 704 G HN 0.728 nan 8.290 nan 0.000 0.536 705 A N -0.178 122.562 122.820 -0.134 0.000 2.169 705 A HA 0.421 4.745 4.320 0.006 0.000 0.212 705 A C 1.860 179.308 177.584 -0.228 0.000 1.153 705 A CA 1.764 53.653 52.037 -0.247 0.000 0.756 705 A CB -0.203 18.515 19.000 -0.470 0.000 0.813 705 A HN 0.559 nan 8.150 nan 0.000 0.471 706 E N 0.276 120.400 120.200 -0.126 0.000 2.033 706 E HA -0.255 4.098 4.350 0.006 0.000 0.199 706 E C 1.892 178.477 176.600 -0.026 0.000 1.011 706 E CA 1.708 58.067 56.400 -0.069 0.000 0.815 706 E CB -0.231 29.446 29.700 -0.038 0.000 0.755 706 E HN 0.616 nan 8.360 nan 0.000 0.451 707 E N 0.077 120.279 120.200 0.004 0.000 2.110 707 E HA -0.097 4.257 4.350 0.006 0.000 0.193 707 E C 2.098 178.729 176.600 0.051 0.000 0.988 707 E CA 1.435 57.856 56.400 0.035 0.000 0.804 707 E CB -0.712 29.024 29.700 0.060 0.000 0.745 707 E HN 0.290 nan 8.360 nan 0.000 0.458 708 G N 0.506 109.362 108.800 0.093 0.000 2.422 708 G HA2 -0.238 3.726 3.960 0.006 0.000 0.218 708 G HA3 -0.238 3.726 3.960 0.006 0.000 0.218 708 G C 1.680 176.686 174.900 0.177 0.000 1.146 708 G CA 0.955 46.181 45.100 0.210 0.000 0.769 708 G HN 0.325 nan 8.290 nan 0.000 0.547 709 I N 0.134 120.731 120.570 0.045 0.000 2.226 709 I HA -0.161 4.013 4.170 0.006 0.000 0.245 709 I C 3.057 179.254 176.117 0.133 0.000 1.100 709 I CA 0.997 62.361 61.300 0.107 0.000 1.374 709 I CB -0.159 37.846 38.000 0.008 0.000 1.057 709 I HN 0.098 nan 8.210 nan 0.000 0.413 710 R N 0.650 121.195 120.500 0.076 0.000 2.066 710 R HA -0.110 4.233 4.340 0.006 0.000 0.232 710 R C 2.268 178.646 176.300 0.130 0.000 1.131 710 R CA 0.984 57.153 56.100 0.114 0.000 0.955 710 R CB -0.274 30.067 30.300 0.070 0.000 0.851 710 R HN 0.193 nan 8.270 nan 0.000 0.432 711 K N -0.795 119.563 120.400 -0.070 0.000 2.209 711 K HA -0.040 4.284 4.320 0.006 0.000 0.204 711 K C 1.440 177.900 176.600 -0.234 0.000 1.048 711 K CA 1.446 57.527 56.287 -0.342 0.000 0.940 711 K CB 0.192 32.084 32.500 -1.014 0.000 0.729 711 K HN 0.548 nan 8.250 nan 0.000 0.451 712 G N 0.680 109.468 108.800 -0.020 0.000 2.421 712 G HA2 -0.126 3.837 3.960 0.006 0.000 0.188 712 G HA3 -0.126 3.837 3.960 0.006 0.000 0.188 712 G C 0.106 175.015 174.900 0.014 0.000 1.001 712 G CA -0.080 45.013 45.100 -0.013 0.000 0.693 712 G HN 0.277 nan 8.290 nan 0.000 0.479 713 I N 0.088 120.756 120.570 0.163 0.000 2.828 713 I HA 0.626 4.800 4.170 0.006 0.000 0.295 713 I C -1.735 174.627 176.117 0.408 0.000 1.459 713 I CA -1.445 59.963 61.300 0.181 0.000 1.015 713 I CB 1.909 39.932 38.000 0.039 0.000 1.345 713 I HN 0.508 nan 8.210 nan 0.000 0.449 714 Y N 3.996 124.428 120.300 0.220 0.000 2.592 714 Y HA 0.476 5.030 4.550 0.006 0.000 0.334 714 Y C -1.649 174.387 175.900 0.227 0.000 1.136 714 Y CA -1.275 56.963 58.100 0.229 0.000 1.042 714 Y CB 0.821 39.393 38.460 0.186 0.000 1.325 714 Y HN 0.471 nan 8.280 nan 0.000 0.457 715 K N 2.895 123.400 120.400 0.173 0.000 2.297 715 K HA 0.367 4.690 4.320 0.006 0.000 0.286 715 K C -0.137 176.439 176.600 -0.040 0.000 1.053 715 K CA -0.303 55.902 56.287 -0.138 0.000 0.940 715 K CB 0.865 33.244 32.500 -0.201 0.000 1.019 715 K HN 1.020 nan 8.250 nan 0.000 0.475 716 L N 2.753 123.887 121.223 -0.148 0.000 2.084 716 L HA -0.030 4.313 4.340 0.006 0.000 0.202 716 L C 0.727 177.597 176.870 -0.001 0.000 1.074 716 L CA 1.098 55.947 54.840 0.015 0.000 0.757 716 L CB 0.060 42.130 42.059 0.019 0.000 0.918 716 L HN 0.783 nan 8.230 nan 0.000 0.444 717 E N -1.676 118.474 120.200 -0.084 0.000 2.422 717 E HA 0.265 4.618 4.350 0.006 0.000 0.280 717 E C -1.109 175.427 176.600 -0.107 0.000 1.091 717 E CA -0.789 55.573 56.400 -0.064 0.000 0.849 717 E CB 1.522 31.212 29.700 -0.018 0.000 1.353 717 E HN -0.091 nan 8.360 nan 0.000 0.449 718 T N -0.303 114.212 114.554 -0.066 0.000 2.824 718 T HA 0.677 5.031 4.350 0.006 0.000 0.282 718 T C -0.445 174.242 174.700 -0.022 0.000 0.993 718 T CA -0.708 61.358 62.100 -0.056 0.000 0.967 718 T CB 0.512 69.353 68.868 -0.045 0.000 0.960 718 T HN 0.456 nan 8.240 nan 0.000 0.441 719 I N 2.817 123.382 120.570 -0.009 0.000 2.412 719 I HA 0.414 4.587 4.170 0.006 0.000 0.296 719 I C 0.337 176.462 176.117 0.015 0.000 0.987 719 I CA -1.039 60.265 61.300 0.007 0.000 1.180 719 I CB 1.741 39.750 38.000 0.015 0.000 1.340 719 I HN 0.573 nan 8.210 nan 0.000 0.455 720 E N 3.450 123.659 120.200 0.016 0.000 2.349 720 E HA 0.668 5.021 4.350 0.006 0.000 0.262 720 E C -0.044 176.573 176.600 0.028 0.000 1.088 720 E CA -0.206 56.206 56.400 0.020 0.000 0.899 720 E CB 1.726 31.435 29.700 0.016 0.000 1.044 720 E HN 0.834 nan 8.360 nan 0.000 0.420 721 G N -0.487 108.331 108.800 0.030 0.000 2.658 721 G HA2 0.192 4.156 3.960 0.006 0.000 0.301 721 G HA3 0.192 4.156 3.960 0.006 0.000 0.301 721 G C 0.156 175.077 174.900 0.035 0.000 1.481 721 G CA 0.037 45.160 45.100 0.038 0.000 0.931 721 G HN 0.368 nan 8.290 nan 0.000 0.573 722 S N 0.407 116.128 115.700 0.034 0.000 2.524 722 S HA 0.089 4.563 4.470 0.006 0.000 0.216 722 S C 1.291 175.912 174.600 0.034 0.000 0.987 722 S CA 0.270 58.488 58.200 0.030 0.000 0.909 722 S CB 0.087 63.302 63.200 0.025 0.000 0.781 722 S HN 0.484 nan 8.310 nan 0.000 0.521 723 K N 1.413 121.839 120.400 0.044 0.000 2.404 723 K HA 0.400 4.724 4.320 0.006 0.000 0.194 723 K C 0.752 177.380 176.600 0.046 0.000 1.023 723 K CA 0.360 56.675 56.287 0.047 0.000 1.094 723 K CB 0.535 33.072 32.500 0.063 0.000 0.841 723 K HN 0.509 nan 8.250 nan 0.000 0.523 724 G N 1.211 110.037 108.800 0.043 0.000 2.336 724 G HA2 0.200 4.163 3.960 0.006 0.000 0.300 724 G HA3 0.200 4.163 3.960 0.006 0.000 0.300 724 G C -2.136 172.788 174.900 0.041 0.000 1.375 724 G CA -0.917 44.207 45.100 0.039 0.000 0.885 724 G HN -0.022 nan 8.290 nan 0.000 0.599 725 K N -0.689 119.735 120.400 0.040 0.000 2.525 725 K HA 0.767 5.090 4.320 0.006 0.000 0.254 725 K C -0.421 176.210 176.600 0.051 0.000 0.934 725 K CA -0.199 56.115 56.287 0.045 0.000 0.802 725 K CB 2.137 34.662 32.500 0.043 0.000 1.295 725 K HN 1.601 nan 8.250 nan 0.000 0.433 726 V N -0.607 119.344 119.914 0.061 0.000 3.167 726 V HA 0.651 4.774 4.120 0.006 0.000 0.310 726 V C -1.338 174.822 176.094 0.109 0.000 1.207 726 V CA -0.914 61.431 62.300 0.075 0.000 1.059 726 V CB 2.014 33.874 31.823 0.062 0.000 1.079 726 V HN 0.764 nan 8.190 nan 0.000 0.446 727 Q N 1.103 120.990 119.800 0.144 0.000 2.333 727 Q HA 0.747 5.091 4.340 0.006 0.000 0.267 727 Q C -1.570 174.559 176.000 0.215 0.000 1.012 727 Q CA -0.561 55.388 55.803 0.242 0.000 0.824 727 Q CB 2.600 31.496 28.738 0.264 0.000 1.290 727 Q HN 0.692 nan 8.270 nan 0.000 0.449 728 L N 3.613 124.983 121.223 0.245 0.000 2.349 728 L HA 0.522 4.866 4.340 0.006 0.000 0.278 728 L C -1.237 175.780 176.870 0.245 0.000 0.996 728 L CA -0.823 54.128 54.840 0.186 0.000 0.825 728 L CB 1.121 43.249 42.059 0.115 0.000 1.243 728 L HN 0.334 nan 8.230 nan 0.000 0.412 729 L N 2.642 123.993 121.223 0.214 0.000 2.346 729 L HA 0.939 5.283 4.340 0.006 0.000 0.276 729 L C 0.368 177.344 176.870 0.177 0.000 1.006 729 L CA -0.119 54.849 54.840 0.213 0.000 0.817 729 L CB 1.974 44.184 42.059 0.251 0.000 1.272 729 L HN 0.615 nan 8.230 nan 0.000 0.421 730 G N 0.160 109.035 108.800 0.124 0.000 2.690 730 G HA2 0.759 4.722 3.960 0.006 0.000 0.291 730 G HA3 0.759 4.722 3.960 0.006 0.000 0.291 730 G C -1.526 173.418 174.900 0.074 0.000 1.403 730 G CA -0.187 44.984 45.100 0.118 0.000 0.864 730 G HN 0.708 nan 8.290 nan 0.000 0.480 731 S N -1.108 114.666 115.700 0.124 0.000 2.638 731 S HA 0.862 5.336 4.470 0.006 0.000 0.274 731 S C 0.761 175.433 174.600 0.119 0.000 1.157 731 S CA 0.688 58.947 58.200 0.098 0.000 0.826 731 S CB 1.255 64.569 63.200 0.190 0.000 1.139 731 S HN 2.720 nan 8.310 nan 0.000 0.474 732 G N 2.075 110.932 108.800 0.096 0.000 2.594 732 G HA2 -0.334 3.630 3.960 0.006 0.000 0.297 732 G HA3 -0.334 3.630 3.960 0.006 0.000 0.297 732 G C 1.096 176.058 174.900 0.102 0.000 1.273 732 G CA 1.561 46.738 45.100 0.129 0.000 0.974 732 G HN 2.218 nan 8.290 nan 0.000 0.552 733 S N -0.557 115.238 115.700 0.157 0.000 2.447 733 S HA 0.012 4.485 4.470 0.006 0.000 0.233 733 S C 2.166 176.849 174.600 0.138 0.000 1.006 733 S CA 1.678 59.990 58.200 0.187 0.000 0.957 733 S CB -0.016 63.311 63.200 0.212 0.000 0.773 733 S HN 0.579 nan 8.310 nan 0.000 0.507 734 I N 1.163 121.811 120.570 0.130 0.000 3.059 734 I HA 0.115 4.288 4.170 0.006 0.000 0.270 734 I C 2.114 178.310 176.117 0.131 0.000 1.238 734 I CA 0.290 61.699 61.300 0.182 0.000 1.478 734 I CB -1.248 36.809 38.000 0.095 0.000 1.097 734 I HN 0.324 nan 8.210 nan 0.000 0.455 735 L N 2.434 123.664 121.223 0.010 0.000 2.043 735 L HA -0.219 4.125 4.340 0.006 0.000 0.212 735 L C 2.834 179.653 176.870 -0.085 0.000 1.075 735 L CA 1.954 56.762 54.840 -0.053 0.000 0.752 735 L CB -0.679 41.275 42.059 -0.176 0.000 0.891 735 L HN 0.324 nan 8.230 nan 0.000 0.432 736 R N -1.956 118.415 120.500 -0.215 0.000 2.152 736 R HA -0.191 4.152 4.340 0.006 0.000 0.232 736 R C 1.830 177.956 176.300 -0.291 0.000 1.117 736 R CA 1.926 57.854 56.100 -0.286 0.000 0.981 736 R CB -0.982 29.003 30.300 -0.525 0.000 0.870 736 R HN 0.488 nan 8.270 nan 0.000 0.451 737 H N -0.094 118.939 119.070 -0.062 0.000 2.470 737 H HA 0.087 4.647 4.556 0.006 0.000 0.289 737 H C 1.952 177.276 175.328 -0.008 0.000 1.033 737 H CA 1.141 57.175 56.048 -0.023 0.000 1.331 737 H CB 0.341 30.098 29.762 -0.009 0.000 1.414 737 H HN -0.045 nan 8.280 nan 0.000 0.545 738 V N 0.704 120.673 119.914 0.092 0.000 2.453 738 V HA -0.179 3.945 4.120 0.006 0.000 0.247 738 V C 2.120 178.240 176.094 0.043 0.000 1.048 738 V CA 1.583 63.924 62.300 0.069 0.000 1.049 738 V CB -0.232 31.633 31.823 0.070 0.000 0.672 738 V HN 0.384 nan 8.190 nan 0.000 0.457 739 R N 0.069 120.582 120.500 0.021 0.000 2.115 739 R HA -0.170 4.173 4.340 0.006 0.000 0.230 739 R C 2.323 178.633 176.300 0.016 0.000 1.111 739 R CA 1.499 57.612 56.100 0.022 0.000 0.976 739 R CB -0.248 30.069 30.300 0.028 0.000 0.870 739 R HN 0.687 nan 8.270 nan 0.000 0.445 740 E N 1.205 121.404 120.200 -0.001 0.000 2.110 740 E HA -0.173 4.180 4.350 0.006 0.000 0.193 740 E C 1.911 178.526 176.600 0.024 0.000 0.988 740 E CA 1.178 57.581 56.400 0.004 0.000 0.804 740 E CB -0.038 29.655 29.700 -0.012 0.000 0.745 740 E HN 0.324 nan 8.360 nan 0.000 0.458 741 A N 1.227 124.064 122.820 0.029 0.000 1.933 741 A HA -0.072 4.252 4.320 0.006 0.000 0.218 741 A C 2.428 180.043 177.584 0.052 0.000 1.175 741 A CA 1.715 53.769 52.037 0.028 0.000 0.628 741 A CB -0.797 18.218 19.000 0.025 0.000 0.814 741 A HN 0.449 nan 8.150 nan 0.000 0.444 742 A N -0.344 122.504 122.820 0.048 0.000 1.902 742 A HA -0.145 4.178 4.320 0.006 0.000 0.217 742 A C 1.940 179.560 177.584 0.060 0.000 1.181 742 A CA 1.711 53.780 52.037 0.052 0.000 0.623 742 A CB -0.395 18.628 19.000 0.039 0.000 0.818 742 A HN 0.441 nan 8.150 nan 0.000 0.443 743 E N 0.070 120.301 120.200 0.052 0.000 2.072 743 E HA -0.131 4.223 4.350 0.006 0.000 0.191 743 E C 1.989 178.636 176.600 0.077 0.000 0.985 743 E CA 1.041 57.472 56.400 0.052 0.000 0.801 743 E CB -0.439 29.283 29.700 0.036 0.000 0.750 743 E HN 0.744 nan 8.360 nan 0.000 0.452 744 I N 0.745 121.375 120.570 0.100 0.000 2.179 744 I HA -0.264 3.909 4.170 0.006 0.000 0.242 744 I C 2.495 178.761 176.117 0.249 0.000 1.088 744 I CA 0.819 62.218 61.300 0.164 0.000 1.357 744 I CB -0.317 37.798 38.000 0.192 0.000 1.051 744 I HN 0.038 nan 8.210 nan 0.000 0.409 745 L N 0.573 121.934 121.223 0.230 0.000 2.042 745 L HA -0.245 4.098 4.340 0.006 0.000 0.210 745 L C 2.774 179.779 176.870 0.225 0.000 1.076 745 L CA 1.549 56.550 54.840 0.269 0.000 0.749 745 L CB -0.617 41.523 42.059 0.136 0.000 0.893 745 L HN 0.275 nan 8.230 nan 0.000 0.432 746 A N -0.185 122.717 122.820 0.136 0.000 1.874 746 A HA -0.152 4.171 4.320 0.006 0.000 0.214 746 A C 2.269 179.895 177.584 0.071 0.000 1.189 746 A CA 1.380 53.473 52.037 0.094 0.000 0.615 746 A CB -0.196 18.841 19.000 0.062 0.000 0.830 746 A HN 0.283 nan 8.150 nan 0.000 0.443 747 K N -0.522 119.912 120.400 0.057 0.000 2.186 747 K HA -0.006 4.318 4.320 0.006 0.000 0.202 747 K C 0.865 177.441 176.600 -0.039 0.000 1.052 747 K CA 1.292 57.588 56.287 0.015 0.000 0.965 747 K CB 0.025 32.534 32.500 0.016 0.000 0.746 747 K HN 0.324 nan 8.250 nan 0.000 0.457 748 D N -1.241 119.117 120.400 -0.070 0.000 2.338 748 D HA 0.009 4.652 4.640 0.006 0.000 0.208 748 D C 0.527 176.481 176.300 -0.577 0.000 0.997 748 D CA 0.871 54.660 54.000 -0.352 0.000 0.880 748 D CB 0.376 40.896 40.800 -0.467 0.000 0.980 748 D HN 0.214 nan 8.370 nan 0.000 0.509 749 Y N -1.143 119.182 120.300 0.043 0.000 2.563 749 Y HA 0.337 4.890 4.550 0.006 0.000 0.250 749 Y C 1.580 177.497 175.900 0.028 0.000 1.126 749 Y CA -0.114 58.006 58.100 0.035 0.000 1.231 749 Y CB 1.036 39.523 38.460 0.046 0.000 1.288 749 Y HN -0.052 nan 8.280 nan 0.000 0.537 750 G N 1.112 109.990 108.800 0.130 0.000 2.179 750 G HA2 -0.279 3.685 3.960 0.006 0.000 0.257 750 G HA3 -0.279 3.685 3.960 0.006 0.000 0.257 750 G C -0.225 174.733 174.900 0.097 0.000 1.010 750 G CA 0.418 45.571 45.100 0.089 0.000 0.736 750 G HN 0.151 nan 8.290 nan 0.000 0.513 751 V N 0.778 120.769 119.914 0.128 0.000 2.383 751 V HA 0.684 4.807 4.120 0.006 0.000 0.275 751 V C 1.207 177.347 176.094 0.077 0.000 1.036 751 V CA 0.150 62.507 62.300 0.096 0.000 0.889 751 V CB 1.269 33.149 31.823 0.094 0.000 0.985 751 V HN 0.614 nan 8.190 nan 0.000 0.459 752 G N 3.719 112.554 108.800 0.058 0.000 2.522 752 G HA2 0.739 4.703 3.960 0.006 0.000 0.304 752 G HA3 0.739 4.703 3.960 0.006 0.000 0.304 752 G C -0.309 174.618 174.900 0.045 0.000 1.210 752 G CA 0.143 45.271 45.100 0.047 0.000 0.960 752 G HN 1.014 nan 8.290 nan 0.000 0.497 753 S N -1.028 114.693 115.700 0.035 0.000 2.611 753 S HA 0.485 4.959 4.470 0.006 0.000 0.268 753 S C -2.093 172.508 174.600 0.002 0.000 1.156 753 S CA -1.006 57.216 58.200 0.036 0.000 0.817 753 S CB 2.203 65.433 63.200 0.049 0.000 1.122 753 S HN 0.414 nan 8.310 nan 0.000 0.466 754 D N 0.905 121.308 120.400 0.004 0.000 2.256 754 D HA 0.591 5.234 4.640 0.006 0.000 0.240 754 D C -0.854 175.330 176.300 -0.192 0.000 1.062 754 D CA -0.194 53.722 54.000 -0.141 0.000 0.832 754 D CB 1.965 42.722 40.800 -0.070 0.000 1.135 754 D HN 0.425 nan 8.370 nan 0.000 0.484 755 V N 3.406 123.123 119.914 -0.328 0.000 2.417 755 V HA 0.344 4.468 4.120 0.006 0.000 0.291 755 V C -0.895 174.978 176.094 -0.368 0.000 1.024 755 V CA -0.695 61.494 62.300 -0.184 0.000 0.861 755 V CB 0.778 32.555 31.823 -0.076 0.000 0.985 755 V HN 0.363 nan 8.190 nan 0.000 0.436 756 Y N 1.752 122.018 120.300 -0.057 0.000 2.429 756 Y HA 0.573 5.126 4.550 0.006 0.000 0.342 756 Y C 0.495 176.267 175.900 -0.213 0.000 1.004 756 Y CA -0.742 57.270 58.100 -0.147 0.000 1.075 756 Y CB 2.141 40.537 38.460 -0.106 0.000 1.214 756 Y HN 0.533 nan 8.280 nan 0.000 0.455 757 S N 2.144 117.674 115.700 -0.284 0.000 2.438 757 S HA 0.593 5.067 4.470 0.006 0.000 0.293 757 S C -1.096 173.354 174.600 -0.249 0.000 1.141 757 S CA -0.562 57.463 58.200 -0.292 0.000 1.080 757 S CB 0.096 63.053 63.200 -0.405 0.000 0.978 757 S HN 0.447 nan 8.310 nan 0.000 0.479 758 V N 6.156 125.946 119.914 -0.207 0.000 2.311 758 V HA 0.255 4.378 4.120 0.006 0.000 0.275 758 V C 1.454 177.418 176.094 -0.217 0.000 1.022 758 V CA -0.253 61.843 62.300 -0.340 0.000 0.830 758 V CB 0.594 31.904 31.823 -0.855 0.000 1.012 758 V HN 1.071 nan 8.190 nan 0.000 0.452 759 T N -0.158 114.370 114.554 -0.045 0.000 3.043 759 T HA 0.030 4.384 4.350 0.006 0.000 0.263 759 T C 0.865 175.618 174.700 0.088 0.000 1.094 759 T CA 0.723 62.889 62.100 0.109 0.000 1.127 759 T CB 0.252 69.286 68.868 0.278 0.000 0.905 759 T HN 0.554 nan 8.240 nan 0.000 0.490 760 S N -0.283 115.343 115.700 -0.124 0.000 2.423 760 S HA 0.444 4.918 4.470 0.006 0.000 0.213 760 S C -0.171 174.227 174.600 -0.336 0.000 1.131 760 S CA -0.816 57.231 58.200 -0.255 0.000 1.155 760 S CB -0.431 62.472 63.200 -0.496 0.000 1.202 760 S HN 0.176 nan 8.310 nan 0.000 0.441 761 F N 2.239 121.936 119.950 -0.422 0.000 2.202 761 F HA -0.056 4.474 4.527 0.006 0.000 0.301 761 F C 2.637 178.240 175.800 -0.328 0.000 1.082 761 F CA 1.737 59.444 58.000 -0.489 0.000 1.313 761 F CB -0.418 37.993 39.000 -0.981 0.000 1.024 761 F HN 0.472 nan 8.300 nan 0.000 0.495 762 T N -0.930 113.573 114.554 -0.084 0.000 2.777 762 T HA -0.138 4.215 4.350 0.006 0.000 0.266 762 T C 1.861 176.494 174.700 -0.112 0.000 1.040 762 T CA 1.273 63.349 62.100 -0.040 0.000 1.141 762 T CB -0.135 68.750 68.868 0.029 0.000 0.868 762 T HN 0.129 nan 8.240 nan 0.000 0.444 763 E N 1.031 121.110 120.200 -0.203 0.000 2.150 763 E HA 0.037 4.390 4.350 0.006 0.000 0.193 763 E C 2.270 178.769 176.600 -0.168 0.000 0.985 763 E CA 0.556 56.824 56.400 -0.219 0.000 0.814 763 E CB -0.318 29.194 29.700 -0.314 0.000 0.752 763 E HN 0.472 nan 8.360 nan 0.000 0.466 764 L N 0.307 121.443 121.223 -0.145 0.000 2.093 764 L HA -0.124 4.219 4.340 0.006 0.000 0.208 764 L C 2.511 179.325 176.870 -0.094 0.000 1.085 764 L CA 1.063 55.844 54.840 -0.098 0.000 0.755 764 L CB -0.467 41.550 42.059 -0.070 0.000 0.904 764 L HN 0.048 nan 8.230 nan 0.000 0.435 765 A N 0.173 122.969 122.820 -0.041 0.000 1.898 765 A HA -0.190 4.134 4.320 0.006 0.000 0.216 765 A C 2.385 179.892 177.584 -0.128 0.000 1.181 765 A CA 1.363 53.400 52.037 -0.000 0.000 0.620 765 A CB -0.430 18.618 19.000 0.080 0.000 0.819 765 A HN 0.290 nan 8.150 nan 0.000 0.442 766 R N -0.545 119.890 120.500 -0.109 0.000 2.081 766 R HA -0.172 4.171 4.340 0.006 0.000 0.235 766 R C 2.058 178.257 176.300 -0.168 0.000 1.131 766 R CA 1.725 57.756 56.100 -0.116 0.000 0.960 766 R CB -0.485 29.754 30.300 -0.102 0.000 0.856 766 R HN 0.758 nan 8.270 nan 0.000 0.436 767 D N -0.486 119.803 120.400 -0.185 0.000 2.104 767 D HA -0.129 4.514 4.640 0.006 0.000 0.194 767 D C 1.972 178.099 176.300 -0.288 0.000 0.994 767 D CA 1.655 55.545 54.000 -0.183 0.000 0.830 767 D CB -0.270 40.448 40.800 -0.137 0.000 0.959 767 D HN 0.238 nan 8.370 nan 0.000 0.452 768 G N -0.443 108.037 108.800 -0.533 0.000 2.421 768 G HA2 -0.312 3.651 3.960 0.006 0.000 0.216 768 G HA3 -0.312 3.651 3.960 0.006 0.000 0.216 768 G C 1.626 175.988 174.900 -0.896 0.000 1.171 768 G CA 0.851 45.296 45.100 -1.091 0.000 0.775 768 G HN 0.364 nan 8.290 nan 0.000 0.543 769 Q N 0.087 119.525 119.800 -0.603 0.000 2.124 769 Q HA -0.105 4.239 4.340 0.006 0.000 0.202 769 Q C 2.173 178.133 176.000 -0.066 0.000 0.977 769 Q CA 1.393 57.104 55.803 -0.153 0.000 0.850 769 Q CB -0.078 28.642 28.738 -0.031 0.000 0.901 769 Q HN 0.357 nan 8.270 nan 0.000 0.429 770 D N -0.171 120.173 120.400 -0.093 0.000 2.144 770 D HA -0.111 4.533 4.640 0.006 0.000 0.200 770 D C 1.866 178.192 176.300 0.042 0.000 0.978 770 D CA 0.778 54.770 54.000 -0.013 0.000 0.833 770 D CB -0.321 40.454 40.800 -0.041 0.000 0.961 770 D HN 0.259 nan 8.370 nan 0.000 0.470 771 C N 1.088 120.376 119.300 -0.019 0.000 2.453 771 C HA -0.048 4.415 4.460 0.006 0.000 0.277 771 C C 2.463 177.544 174.990 0.153 0.000 1.262 771 C CA 0.421 59.469 59.018 0.049 0.000 1.718 771 C CB -0.469 27.259 27.740 -0.020 0.000 2.031 771 C HN 0.314 nan 8.230 nan 0.000 0.480 772 E N 0.581 120.847 120.200 0.110 0.000 2.150 772 E HA -0.146 4.207 4.350 0.006 0.000 0.193 772 E C 2.171 178.859 176.600 0.146 0.000 0.985 772 E CA 0.664 57.155 56.400 0.152 0.000 0.814 772 E CB -0.510 29.304 29.700 0.189 0.000 0.752 772 E HN 0.667 nan 8.360 nan 0.000 0.466 773 R N -0.339 120.244 120.500 0.139 0.000 2.066 773 R HA -0.160 4.183 4.340 0.006 0.000 0.232 773 R C 2.173 178.576 176.300 0.171 0.000 1.131 773 R CA 1.538 57.711 56.100 0.123 0.000 0.955 773 R CB -0.564 29.801 30.300 0.108 0.000 0.851 773 R HN 0.200 nan 8.270 nan 0.000 0.432 774 W N 2.233 123.579 121.300 0.077 0.000 2.338 774 W HA -0.177 4.486 4.660 0.006 0.000 0.304 774 W C 1.653 178.307 176.519 0.224 0.000 1.212 774 W CA 1.888 59.330 57.345 0.162 0.000 1.264 774 W CB -0.234 29.264 29.460 0.063 0.000 1.142 774 W HN 0.206 nan 8.180 nan 0.000 0.512 775 N N 0.173 119.080 118.700 0.345 0.000 2.084 775 N HA -0.270 4.474 4.740 0.006 0.000 0.190 775 N C 1.810 177.324 175.510 0.007 0.000 1.030 775 N CA 2.134 55.294 53.050 0.183 0.000 0.849 775 N CB -1.282 37.330 38.487 0.207 0.000 1.012 775 N HN 0.352 nan 8.380 nan 0.000 0.423 776 M N 0.435 120.045 119.600 0.017 0.000 2.149 776 M HA -0.110 4.374 4.480 0.006 0.000 0.261 776 M C 1.238 177.459 176.300 -0.132 0.000 1.064 776 M CA 1.483 56.761 55.300 -0.037 0.000 1.102 776 M CB -0.002 32.592 32.600 -0.010 0.000 1.369 776 M HN 0.046 nan 8.290 nan 0.000 0.408 777 L N -1.094 119.999 121.223 -0.216 0.000 2.558 777 L HA -0.006 4.337 4.340 0.006 0.000 0.225 777 L C 0.072 176.443 176.870 -0.832 0.000 1.128 777 L CA 0.230 54.800 54.840 -0.450 0.000 0.868 777 L CB -0.358 41.423 42.059 -0.463 0.000 1.006 777 L HN 0.389 nan 8.230 nan 0.000 0.454 778 H N -1.310 117.456 119.070 -0.505 0.000 2.511 778 H HA 0.150 4.709 4.556 0.006 0.000 0.228 778 H C -1.698 173.435 175.328 -0.325 0.000 1.424 778 H CA -1.285 54.435 56.048 -0.547 0.000 1.321 778 H CB 0.294 29.381 29.762 -1.125 0.000 1.720 778 H HN -0.094 nan 8.280 nan 0.000 0.512 779 P HA -0.163 nan 4.420 nan 0.000 0.221 779 P C 0.746 178.028 177.300 -0.030 0.000 1.145 779 P CA 0.902 63.962 63.100 -0.067 0.000 0.795 779 P CB 0.603 32.260 31.700 -0.071 0.000 0.775 780 L N -0.987 120.218 121.223 -0.030 0.000 2.529 780 L HA 0.182 4.525 4.340 0.006 0.000 0.223 780 L C 1.352 178.239 176.870 0.028 0.000 1.113 780 L CA 0.787 55.627 54.840 -0.001 0.000 0.861 780 L CB -0.814 41.242 42.059 -0.005 0.000 1.012 780 L HN -0.038 nan 8.230 nan 0.000 0.461 781 E N -1.113 119.111 120.200 0.040 0.000 2.254 781 E HA 0.306 4.659 4.350 0.006 0.000 0.261 781 E C -0.151 176.544 176.600 0.160 0.000 1.051 781 E CA -0.647 55.817 56.400 0.108 0.000 0.902 781 E CB 0.637 30.424 29.700 0.145 0.000 1.168 781 E HN -0.107 nan 8.360 nan 0.000 0.423 782 T N 3.639 118.306 114.554 0.189 0.000 2.793 782 T HA 0.091 4.445 4.350 0.006 0.000 0.289 782 T C -2.237 172.614 174.700 0.251 0.000 0.956 782 T CA -0.942 61.255 62.100 0.162 0.000 1.177 782 T CB -0.150 68.781 68.868 0.105 0.000 0.897 782 T HN 0.173 nan 8.240 nan 0.000 0.533 783 P HA 0.171 nan 4.420 nan 0.000 0.268 783 P C 0.099 177.490 177.300 0.152 0.000 1.204 783 P CA -0.257 62.978 63.100 0.225 0.000 0.768 783 P CB 0.523 32.306 31.700 0.137 0.000 0.842 784 R N 1.623 122.221 120.500 0.163 0.000 2.438 784 R HA 0.334 4.677 4.340 0.006 0.000 0.287 784 R C -0.552 175.761 176.300 0.022 0.000 1.077 784 R CA -0.659 55.438 56.100 -0.004 0.000 1.034 784 R CB 0.585 30.817 30.300 -0.113 0.000 0.993 784 R HN 0.263 nan 8.270 nan 0.000 0.459 785 V N 5.950 125.855 119.914 -0.015 0.000 2.383 785 V HA 0.210 4.333 4.120 0.006 0.000 0.275 785 V C -1.989 174.093 176.094 -0.020 0.000 1.036 785 V CA -2.174 60.122 62.300 -0.007 0.000 0.889 785 V CB 1.360 33.169 31.823 -0.023 0.000 0.985 785 V HN 0.661 nan 8.190 nan 0.000 0.459 786 P HA -0.004 nan 4.420 nan 0.000 0.266 786 P C 0.340 177.643 177.300 0.004 0.000 1.195 786 P CA 0.176 63.259 63.100 -0.029 0.000 0.768 786 P CB 0.386 32.067 31.700 -0.031 0.000 0.838 787 Y N 3.422 123.670 120.300 -0.088 0.000 2.193 787 Y HA -0.219 4.335 4.550 0.006 0.000 0.285 787 Y C 2.000 177.868 175.900 -0.054 0.000 1.166 787 Y CA 1.439 59.502 58.100 -0.062 0.000 1.181 787 Y CB -0.349 38.074 38.460 -0.062 0.000 0.976 787 Y HN 0.318 nan 8.280 nan 0.000 0.520 788 I N -0.364 120.254 120.570 0.080 0.000 2.361 788 I HA -0.253 3.920 4.170 0.006 0.000 0.251 788 I C 2.185 178.240 176.117 -0.103 0.000 1.133 788 I CA 1.418 62.711 61.300 -0.011 0.000 1.413 788 I CB -0.249 37.744 38.000 -0.012 0.000 1.073 788 I HN 0.302 nan 8.210 nan 0.000 0.424 789 A N -0.550 122.225 122.820 -0.075 0.000 2.167 789 A HA -0.107 4.216 4.320 0.006 0.000 0.214 789 A C 2.027 179.547 177.584 -0.108 0.000 1.151 789 A CA 0.746 52.737 52.037 -0.078 0.000 0.735 789 A CB -0.313 18.669 19.000 -0.029 0.000 0.802 789 A HN 0.590 nan 8.150 nan 0.000 0.467 790 Q N -1.066 118.626 119.800 -0.180 0.000 2.392 790 Q HA 0.117 4.460 4.340 0.006 0.000 0.203 790 Q C 1.221 177.093 176.000 -0.214 0.000 0.917 790 Q CA 0.514 56.188 55.803 -0.216 0.000 0.939 790 Q CB 0.495 29.035 28.738 -0.329 0.000 1.063 790 Q HN 0.509 nan 8.270 nan 0.000 0.516 791 V N -0.416 119.382 119.914 -0.194 0.000 3.013 791 V HA 0.116 4.240 4.120 0.006 0.000 0.238 791 V C 0.912 177.016 176.094 0.016 0.000 1.161 791 V CA 0.583 62.840 62.300 -0.072 0.000 1.170 791 V CB 0.295 32.088 31.823 -0.050 0.000 0.917 791 V HN 0.234 nan 8.190 nan 0.000 0.478 792 M N 1.452 120.973 119.600 -0.132 0.000 2.283 792 M HA 0.333 4.817 4.480 0.006 0.000 0.314 792 M C 0.235 176.514 176.300 -0.035 0.000 1.153 792 M CA -0.008 55.193 55.300 -0.166 0.000 1.084 792 M CB 0.898 33.304 32.600 -0.323 0.000 1.468 792 M HN 0.498 nan 8.290 nan 0.000 0.474 793 N N -0.569 118.140 118.700 0.015 0.000 3.124 793 N HA 0.328 5.072 4.740 0.006 0.000 0.350 793 N C -0.540 174.974 175.510 0.007 0.000 1.411 793 N CA -0.678 52.387 53.050 0.024 0.000 0.729 793 N CB 0.240 38.763 38.487 0.060 0.000 1.379 793 N HN 0.595 nan 8.380 nan 0.000 0.599 794 D N -1.731 118.679 120.400 0.017 0.000 2.363 794 D HA 0.249 4.893 4.640 0.006 0.000 0.214 794 D C -0.010 176.305 176.300 0.026 0.000 1.093 794 D CA -0.483 53.524 54.000 0.012 0.000 0.837 794 D CB -0.502 40.303 40.800 0.008 0.000 0.948 794 D HN 0.664 nan 8.370 nan 0.000 0.507 795 A N 1.941 124.787 122.820 0.043 0.000 2.445 795 A HA 0.416 4.740 4.320 0.006 0.000 0.242 795 A C -2.109 175.510 177.584 0.059 0.000 1.075 795 A CA -1.088 50.980 52.037 0.051 0.000 0.777 795 A CB -0.157 18.882 19.000 0.065 0.000 1.013 795 A HN 0.087 nan 8.150 nan 0.000 0.493 796 P HA 0.212 nan 4.420 nan 0.000 0.264 796 P C -0.450 176.901 177.300 0.086 0.000 1.183 796 P CA 0.589 63.726 63.100 0.062 0.000 0.763 796 P CB 0.617 32.343 31.700 0.043 0.000 0.807 797 A N 3.408 126.301 122.820 0.120 0.000 2.356 797 A HA 0.703 5.027 4.320 0.006 0.000 0.323 797 A C -0.876 176.774 177.584 0.109 0.000 1.119 797 A CA -0.682 51.452 52.037 0.161 0.000 0.790 797 A CB 1.583 20.738 19.000 0.259 0.000 1.273 797 A HN 0.338 nan 8.150 nan 0.000 0.452 798 V N 0.424 120.385 119.914 0.079 0.000 2.709 798 V HA 0.769 4.893 4.120 0.006 0.000 0.308 798 V C 0.076 176.174 176.094 0.007 0.000 1.062 798 V CA -0.163 62.126 62.300 -0.019 0.000 0.901 798 V CB 1.610 33.434 31.823 0.002 0.000 1.003 798 V HN 1.438 nan 8.190 nan 0.000 0.425 799 A N 2.872 125.628 122.820 -0.106 0.000 2.401 799 A HA 0.956 5.280 4.320 0.006 0.000 0.310 799 A C -0.562 177.000 177.584 -0.036 0.000 1.075 799 A CA -0.601 51.438 52.037 0.002 0.000 0.746 799 A CB 2.133 21.148 19.000 0.024 0.000 1.277 799 A HN 0.892 nan 8.150 nan 0.000 0.425 800 S N 0.066 115.796 115.700 0.050 0.000 2.546 800 S HA 0.823 5.297 4.470 0.006 0.000 0.272 800 S C -0.464 174.197 174.600 0.103 0.000 1.140 800 S CA 0.314 58.534 58.200 0.033 0.000 0.920 800 S CB 1.437 64.655 63.200 0.029 0.000 1.083 800 S HN 1.988 nan 8.310 nan 0.000 0.476 801 T N 0.472 115.086 114.554 0.100 0.000 2.754 801 T HA 0.499 4.853 4.350 0.006 0.000 0.296 801 T C -0.521 174.227 174.700 0.080 0.000 1.205 801 T CA -0.462 61.753 62.100 0.192 0.000 1.009 801 T CB 1.409 70.528 68.868 0.417 0.000 1.368 801 T HN 0.322 nan 8.240 nan 0.000 0.509 802 D N -0.598 119.833 120.400 0.051 0.000 2.325 802 D HA 0.274 4.918 4.640 0.006 0.000 0.225 802 D C -0.822 175.130 176.300 -0.581 0.000 1.096 802 D CA 0.054 53.900 54.000 -0.257 0.000 0.844 802 D CB -0.281 40.344 40.800 -0.292 0.000 0.925 802 D HN 0.430 nan 8.370 nan 0.000 0.513 803 Y N -0.125 120.131 120.300 -0.074 0.000 2.598 803 Y HA 0.333 4.886 4.550 0.006 0.000 0.340 803 Y C 0.904 176.765 175.900 -0.064 0.000 1.038 803 Y CA -1.510 56.527 58.100 -0.106 0.000 1.100 803 Y CB 0.760 39.088 38.460 -0.220 0.000 1.281 803 Y HN -0.186 nan 8.280 nan 0.000 0.488 804 M N 0.168 119.816 119.600 0.081 0.000 2.247 804 M HA 0.106 4.590 4.480 0.006 0.000 0.318 804 M C 0.531 176.861 176.300 0.050 0.000 1.054 804 M CA 0.204 55.519 55.300 0.026 0.000 1.117 804 M CB 0.452 33.062 32.600 0.016 0.000 1.515 804 M HN 0.708 nan 8.290 nan 0.000 0.442 805 K N 0.661 121.052 120.400 -0.014 0.000 2.127 805 K HA -0.196 4.127 4.320 0.006 0.000 0.208 805 K C 1.769 178.338 176.600 -0.053 0.000 1.047 805 K CA 1.581 57.836 56.287 -0.053 0.000 0.927 805 K CB -0.497 31.956 32.500 -0.078 0.000 0.716 805 K HN 0.616 nan 8.250 nan 0.000 0.450 806 L N 0.733 121.950 121.223 -0.010 0.000 2.129 806 L HA -0.186 4.158 4.340 0.006 0.000 0.212 806 L C 1.926 178.805 176.870 0.016 0.000 1.087 806 L CA 1.479 56.318 54.840 -0.002 0.000 0.757 806 L CB -0.560 41.512 42.059 0.022 0.000 0.896 806 L HN 0.113 nan 8.230 nan 0.000 0.434 807 F N 0.031 119.904 119.950 -0.129 0.000 2.161 807 F HA -0.178 4.353 4.527 0.006 0.000 0.300 807 F C 2.145 177.665 175.800 -0.468 0.000 1.089 807 F CA 1.494 59.385 58.000 -0.182 0.000 1.282 807 F CB -0.527 38.410 39.000 -0.106 0.000 1.010 807 F HN 0.149 nan 8.300 nan 0.000 0.485 808 A N -1.009 121.368 122.820 -0.738 0.000 2.063 808 A HA 0.041 4.365 4.320 0.006 0.000 0.211 808 A C 2.077 179.347 177.584 -0.523 0.000 1.177 808 A CA 0.646 51.827 52.037 -1.427 0.000 0.759 808 A CB -0.642 17.677 19.000 -1.135 0.000 0.857 808 A HN 0.416 nan 8.150 nan 0.000 0.468 809 E N 0.595 120.643 120.200 -0.253 0.000 2.338 809 E HA -0.231 4.123 4.350 0.006 0.000 0.197 809 E C 2.009 178.606 176.600 -0.006 0.000 1.007 809 E CA 1.037 57.413 56.400 -0.040 0.000 0.849 809 E CB -0.118 29.540 29.700 -0.072 0.000 0.774 809 E HN 0.858 nan 8.360 nan 0.000 0.506 810 Q N -0.039 119.723 119.800 -0.063 0.000 2.368 810 Q HA -0.121 4.223 4.340 0.006 0.000 0.210 810 Q C 1.666 177.700 176.000 0.056 0.000 0.982 810 Q CA 1.546 57.348 55.803 -0.002 0.000 0.884 810 Q CB -0.214 28.528 28.738 0.007 0.000 0.933 810 Q HN 0.302 nan 8.270 nan 0.000 0.460 811 V N -2.710 117.241 119.914 0.061 0.000 3.542 811 V HA 0.246 4.370 4.120 0.006 0.000 0.296 811 V C 1.915 177.921 176.094 -0.146 0.000 1.364 811 V CA 0.244 62.613 62.300 0.115 0.000 1.118 811 V CB -0.096 31.833 31.823 0.177 0.000 0.972 811 V HN 0.100 nan 8.190 nan 0.000 0.430 812 R N 2.174 122.582 120.500 -0.153 0.000 2.113 812 R HA -0.162 4.182 4.340 0.006 0.000 0.244 812 R C 2.055 178.138 176.300 -0.361 0.000 1.142 812 R CA 2.831 58.807 56.100 -0.208 0.000 0.953 812 R CB -1.560 28.722 30.300 -0.030 0.000 0.860 812 R HN 0.531 nan 8.270 nan 0.000 0.438 813 T N -0.077 114.137 114.554 -0.567 0.000 2.778 813 T HA -0.164 4.189 4.350 0.006 0.000 0.269 813 T C 0.956 175.232 174.700 -0.706 0.000 1.050 813 T CA 1.803 63.470 62.100 -0.722 0.000 1.137 813 T CB -0.341 67.916 68.868 -1.018 0.000 0.860 813 T HN 0.354 nan 8.240 nan 0.000 0.468 814 Y N 0.307 120.552 120.300 -0.092 0.000 2.482 814 Y HA 0.370 4.923 4.550 0.006 0.000 0.270 814 Y C 0.919 176.731 175.900 -0.147 0.000 1.152 814 Y CA -1.131 56.912 58.100 -0.094 0.000 1.292 814 Y CB -0.566 37.852 38.460 -0.070 0.000 1.070 814 Y HN -0.066 nan 8.280 nan 0.000 0.528 815 V N 5.441 125.235 119.914 -0.199 0.000 2.470 815 V HA 0.049 4.172 4.120 0.006 0.000 0.276 815 V C -1.323 174.671 176.094 -0.167 0.000 1.040 815 V CA -1.256 60.884 62.300 -0.267 0.000 1.008 815 V CB 1.005 32.481 31.823 -0.578 0.000 0.990 815 V HN 0.129 nan 8.190 nan 0.000 0.477 816 P HA 0.174 nan 4.420 nan 0.000 0.269 816 P C -0.082 177.187 177.300 -0.053 0.000 1.461 816 P CA 0.319 63.378 63.100 -0.068 0.000 0.809 816 P CB 0.337 32.006 31.700 -0.052 0.000 1.503 817 A N -0.124 122.660 122.820 -0.061 0.000 2.380 817 A HA 0.456 4.780 4.320 0.006 0.000 0.315 817 A C 0.521 178.101 177.584 -0.006 0.000 1.101 817 A CA -0.492 51.533 52.037 -0.019 0.000 0.771 817 A CB 1.004 20.007 19.000 0.005 0.000 1.287 817 A HN -0.224 nan 8.150 nan 0.000 0.436 818 D N 0.199 120.603 120.400 0.008 0.000 2.277 818 D HA 0.067 4.710 4.640 0.006 0.000 0.208 818 D C -0.574 175.743 176.300 0.030 0.000 0.962 818 D CA 1.444 55.450 54.000 0.010 0.000 0.865 818 D CB 0.212 41.016 40.800 0.008 0.000 0.939 818 D HN 0.564 nan 8.370 nan 0.000 0.510 819 D N -0.925 119.504 120.400 0.049 0.000 2.408 819 D HA 0.184 4.828 4.640 0.006 0.000 0.243 819 D C -1.301 175.084 176.300 0.141 0.000 1.075 819 D CA -0.554 53.487 54.000 0.068 0.000 0.832 819 D CB 0.917 41.744 40.800 0.045 0.000 1.162 819 D HN -0.113 nan 8.370 nan 0.000 0.515 820 Y N 3.026 123.311 120.300 -0.026 0.000 2.535 820 Y HA 0.362 4.915 4.550 0.006 0.000 0.341 820 Y C -0.958 174.923 175.900 -0.032 0.000 1.041 820 Y CA -0.821 57.262 58.100 -0.028 0.000 1.307 820 Y CB 0.440 38.875 38.460 -0.042 0.000 1.095 820 Y HN 0.223 nan 8.280 nan 0.000 0.534 821 R N 3.761 124.123 120.500 -0.229 0.000 2.357 821 R HA 0.673 5.016 4.340 0.006 0.000 0.296 821 R C -1.195 174.852 176.300 -0.421 0.000 1.052 821 R CA -0.811 55.136 56.100 -0.256 0.000 0.988 821 R CB 1.640 31.866 30.300 -0.122 0.000 1.025 821 R HN 0.357 nan 8.270 nan 0.000 0.469 822 V N 5.430 125.127 119.914 -0.362 0.000 2.487 822 V HA 0.379 4.503 4.120 0.006 0.000 0.298 822 V C -0.180 175.796 176.094 -0.196 0.000 1.028 822 V CA -0.772 61.318 62.300 -0.350 0.000 0.860 822 V CB 1.762 33.346 31.823 -0.399 0.000 0.991 822 V HN 0.565 nan 8.190 nan 0.000 0.427 823 L N 4.020 125.152 121.223 -0.152 0.000 2.334 823 L HA 0.997 5.340 4.340 0.006 0.000 0.275 823 L C 0.618 177.429 176.870 -0.098 0.000 1.036 823 L CA -0.187 54.586 54.840 -0.111 0.000 0.807 823 L CB 1.841 43.852 42.059 -0.080 0.000 1.231 823 L HN 0.810 nan 8.230 nan 0.000 0.438 824 G N -0.645 108.099 108.800 -0.094 0.000 2.608 824 G HA2 0.406 4.370 3.960 0.006 0.000 0.291 824 G HA3 0.406 4.370 3.960 0.006 0.000 0.291 824 G C -0.390 174.456 174.900 -0.091 0.000 1.425 824 G CA -0.160 44.895 45.100 -0.074 0.000 0.787 824 G HN 0.490 nan 8.290 nan 0.000 0.484 825 T N -1.109 113.352 114.554 -0.155 0.000 3.284 825 T HA 0.322 4.676 4.350 0.006 0.000 0.249 825 T C -0.240 174.341 174.700 -0.200 0.000 0.944 825 T CA -0.330 61.580 62.100 -0.317 0.000 0.919 825 T CB -0.497 67.966 68.868 -0.676 0.000 1.089 825 T HN 0.287 nan 8.240 nan 0.000 0.576 826 D N 1.700 122.078 120.400 -0.037 0.000 2.472 826 D HA 0.468 5.112 4.640 0.006 0.000 0.237 826 D C 1.014 177.379 176.300 0.108 0.000 1.141 826 D CA 1.545 55.535 54.000 -0.015 0.000 0.875 826 D CB 0.170 40.953 40.800 -0.028 0.000 1.192 826 D HN 0.763 nan 8.370 nan 0.000 0.450 827 G N 0.227 109.038 108.800 0.019 0.000 2.539 827 G HA2 -0.065 3.898 3.960 0.006 0.000 0.686 827 G HA3 -0.065 3.898 3.960 0.006 0.000 0.686 827 G C -0.864 174.115 174.900 0.132 0.000 1.258 827 G CA -1.207 43.949 45.100 0.094 0.000 0.846 827 G HN 0.255 nan 8.290 nan 0.000 0.647 828 F N 1.342 121.405 119.950 0.188 0.000 2.529 828 F HA 0.482 5.012 4.527 0.006 0.000 0.365 828 F C 1.696 177.672 175.800 0.295 0.000 1.102 828 F CA 1.316 59.417 58.000 0.168 0.000 1.271 828 F CB 0.898 39.957 39.000 0.099 0.000 1.120 828 F HN 0.746 nan 8.300 nan 0.000 0.579 829 G N 2.764 111.842 108.800 0.464 0.000 2.651 829 G HA2 0.559 4.523 3.960 0.006 0.000 0.260 829 G HA3 0.559 4.523 3.960 0.006 0.000 0.260 829 G C -0.666 174.397 174.900 0.272 0.000 1.216 829 G CA -0.744 44.611 45.100 0.426 0.000 0.913 829 G HN 0.772 nan 8.290 nan 0.000 0.535 830 R N -1.704 118.913 120.500 0.194 0.000 2.733 830 R HA 0.489 4.832 4.340 0.006 0.000 0.272 830 R C -1.288 175.036 176.300 0.041 0.000 1.029 830 R CA -0.829 55.308 56.100 0.062 0.000 0.888 830 R CB 0.725 30.993 30.300 -0.053 0.000 1.251 830 R HN 0.372 nan 8.270 nan 0.000 0.464 831 S N 0.702 116.405 115.700 0.004 0.000 2.489 831 S HA 0.411 4.884 4.470 0.006 0.000 0.277 831 S C -0.678 173.913 174.600 -0.015 0.000 1.230 831 S CA -0.222 57.976 58.200 -0.003 0.000 1.053 831 S CB 0.527 63.720 63.200 -0.012 0.000 0.955 831 S HN 0.560 nan 8.310 nan 0.000 0.488 832 D N -0.018 120.382 120.400 -0.001 0.000 2.893 832 D HA 0.153 4.796 4.640 0.006 0.000 0.346 832 D C -0.808 175.502 176.300 0.016 0.000 1.402 832 D CA -0.347 53.653 54.000 -0.000 0.000 0.815 832 D CB 1.017 41.811 40.800 -0.011 0.000 1.403 832 D HN 0.528 nan 8.370 nan 0.000 0.484 833 S N -0.324 115.389 115.700 0.022 0.000 2.614 833 S HA 0.361 4.835 4.470 0.006 0.000 0.265 833 S C 1.336 175.965 174.600 0.048 0.000 1.303 833 S CA -0.361 57.858 58.200 0.031 0.000 1.000 833 S CB 1.569 64.787 63.200 0.031 0.000 0.935 833 S HN 0.484 nan 8.310 nan 0.000 0.551 834 R N 0.750 121.281 120.500 0.052 0.000 2.083 834 R HA -0.141 4.203 4.340 0.006 0.000 0.237 834 R C 2.365 178.703 176.300 0.064 0.000 1.137 834 R CA 1.786 57.922 56.100 0.060 0.000 0.951 834 R CB -0.556 29.787 30.300 0.072 0.000 0.851 834 R HN 0.898 nan 8.270 nan 0.000 0.434 835 E N 0.764 121.004 120.200 0.067 0.000 2.070 835 E HA -0.221 4.132 4.350 0.006 0.000 0.197 835 E C 1.637 178.290 176.600 0.088 0.000 1.004 835 E CA 1.363 57.804 56.400 0.069 0.000 0.805 835 E CB 0.049 29.782 29.700 0.055 0.000 0.744 835 E HN 0.245 nan 8.360 nan 0.000 0.451 836 N N 0.324 119.071 118.700 0.078 0.000 2.188 836 N HA -0.120 4.624 4.740 0.006 0.000 0.184 836 N C 1.941 177.537 175.510 0.144 0.000 1.018 836 N CA 0.797 53.906 53.050 0.099 0.000 0.858 836 N CB -0.195 38.323 38.487 0.052 0.000 0.989 836 N HN 0.237 nan 8.380 nan 0.000 0.426 837 L N 0.403 121.708 121.223 0.138 0.000 2.109 837 L HA -0.028 4.315 4.340 0.006 0.000 0.207 837 L C 2.189 179.236 176.870 0.294 0.000 1.086 837 L CA 0.857 55.835 54.840 0.230 0.000 0.760 837 L CB -0.202 42.010 42.059 0.255 0.000 0.910 837 L HN 0.084 nan 8.230 nan 0.000 0.437 838 R N -1.358 119.243 120.500 0.168 0.000 2.189 838 R HA -0.152 4.191 4.340 0.006 0.000 0.223 838 R C 2.119 178.487 176.300 0.115 0.000 1.092 838 R CA 0.807 56.961 56.100 0.090 0.000 0.989 838 R CB -0.228 30.033 30.300 -0.064 0.000 0.876 838 R HN 0.333 nan 8.270 nan 0.000 0.457 839 H N -0.722 118.396 119.070 0.079 0.000 2.355 839 H HA -0.062 4.497 4.556 0.006 0.000 0.303 839 H C 1.977 177.320 175.328 0.024 0.000 1.061 839 H CA 1.725 57.852 56.048 0.131 0.000 1.368 839 H CB 0.029 29.888 29.762 0.161 0.000 1.412 839 H HN 0.231 nan 8.280 nan 0.000 0.523 840 H N -0.761 118.306 119.070 -0.004 0.000 2.352 840 H HA -0.137 4.422 4.556 0.006 0.000 0.299 840 H C 1.132 176.236 175.328 -0.374 0.000 1.097 840 H CA 2.052 57.974 56.048 -0.210 0.000 1.311 840 H CB -0.464 29.117 29.762 -0.302 0.000 1.377 840 H HN 0.311 nan 8.280 nan 0.000 0.504 841 F N 1.158 120.967 119.950 -0.236 0.000 2.811 841 F HA 0.094 4.625 4.527 0.006 0.000 0.301 841 F C 0.409 175.932 175.800 -0.461 0.000 1.151 841 F CA 0.823 58.632 58.000 -0.318 0.000 1.412 841 F CB -0.252 38.665 39.000 -0.138 0.000 1.113 841 F HN 0.254 nan 8.300 nan 0.000 0.579 842 E N -1.066 118.775 120.200 -0.598 0.000 2.297 842 E HA -0.203 4.151 4.350 0.006 0.000 0.228 842 E C 0.616 176.803 176.600 -0.687 0.000 1.213 842 E CA 0.206 55.811 56.400 -1.325 0.000 0.712 842 E CB -1.858 27.105 29.700 -1.230 0.000 1.202 842 E HN 0.283 nan 8.360 nan 0.000 0.376 843 V N -0.165 119.559 119.914 -0.317 0.000 3.502 843 V HA -0.010 4.114 4.120 0.006 0.000 0.288 843 V C 0.784 176.860 176.094 -0.030 0.000 1.461 843 V CA 0.700 62.927 62.300 -0.122 0.000 1.029 843 V CB 0.241 32.006 31.823 -0.097 0.000 0.843 843 V HN 0.473 nan 8.190 nan 0.000 0.438 844 D N 0.860 121.281 120.400 0.035 0.000 2.393 844 D HA 0.240 4.883 4.640 0.006 0.000 0.246 844 D C 1.587 177.949 176.300 0.104 0.000 1.275 844 D CA 0.433 54.467 54.000 0.057 0.000 0.979 844 D CB 0.864 41.735 40.800 0.119 0.000 1.101 844 D HN 0.019 nan 8.370 nan 0.000 0.505 845 A N 0.223 123.096 122.820 0.089 0.000 1.917 845 A HA -0.210 4.113 4.320 0.006 0.000 0.219 845 A C 2.237 179.741 177.584 -0.134 0.000 1.182 845 A CA 2.222 54.269 52.037 0.016 0.000 0.633 845 A CB -1.145 17.865 19.000 0.018 0.000 0.819 845 A HN 0.521 nan 8.150 nan 0.000 0.448 846 S N -1.476 114.080 115.700 -0.240 0.000 2.370 846 S HA -0.178 4.296 4.470 0.006 0.000 0.226 846 S C 1.791 176.174 174.600 -0.361 0.000 1.033 846 S CA 1.721 59.561 58.200 -0.600 0.000 1.011 846 S CB -0.558 62.342 63.200 -0.501 0.000 0.852 846 S HN 0.699 nan 8.310 nan 0.000 0.457 847 Y N 0.953 121.173 120.300 -0.134 0.000 2.314 847 Y HA -0.036 4.518 4.550 0.006 0.000 0.293 847 Y C 2.408 178.265 175.900 -0.072 0.000 1.129 847 Y CA 0.440 58.487 58.100 -0.088 0.000 1.201 847 Y CB -0.486 37.915 38.460 -0.099 0.000 0.999 847 Y HN 0.046 nan 8.280 nan 0.000 0.541 848 V N -1.217 118.738 119.914 0.068 0.000 2.358 848 V HA -0.255 3.869 4.120 0.006 0.000 0.246 848 V C 2.166 178.259 176.094 -0.002 0.000 1.047 848 V CA 1.514 63.833 62.300 0.032 0.000 1.035 848 V CB -0.765 31.079 31.823 0.034 0.000 0.658 848 V HN 0.210 nan 8.190 nan 0.000 0.452 849 V N -0.305 119.583 119.914 -0.044 0.000 2.295 849 V HA -0.223 3.901 4.120 0.006 0.000 0.246 849 V C 2.429 178.501 176.094 -0.037 0.000 1.049 849 V CA 1.991 64.269 62.300 -0.036 0.000 1.024 849 V CB -0.412 31.396 31.823 -0.024 0.000 0.648 849 V HN 0.403 nan 8.190 nan 0.000 0.447 850 V N 0.226 120.130 119.914 -0.017 0.000 2.407 850 V HA -0.241 3.883 4.120 0.006 0.000 0.248 850 V C 2.650 178.733 176.094 -0.019 0.000 1.055 850 V CA 1.932 64.225 62.300 -0.011 0.000 1.049 850 V CB -1.037 30.775 31.823 -0.018 0.000 0.662 850 V HN 0.564 nan 8.190 nan 0.000 0.455 851 A N -0.175 122.645 122.820 -0.001 0.000 1.930 851 A HA -0.041 4.283 4.320 0.006 0.000 0.217 851 A C 2.402 179.976 177.584 -0.016 0.000 1.175 851 A CA 1.896 53.931 52.037 -0.002 0.000 0.627 851 A CB -0.619 18.384 19.000 0.005 0.000 0.815 851 A HN 0.544 nan 8.150 nan 0.000 0.443 852 A N -0.095 122.713 122.820 -0.019 0.000 1.873 852 A HA 0.019 4.342 4.320 0.006 0.000 0.215 852 A C 2.137 179.697 177.584 -0.040 0.000 1.186 852 A CA 1.348 53.375 52.037 -0.018 0.000 0.616 852 A CB -0.645 18.350 19.000 -0.008 0.000 0.823 852 A HN 0.447 nan 8.150 nan 0.000 0.442 853 L N -0.484 120.689 121.223 -0.084 0.000 2.079 853 L HA -0.173 4.170 4.340 0.006 0.000 0.210 853 L C 2.794 179.624 176.870 -0.066 0.000 1.081 853 L CA 1.162 55.931 54.840 -0.118 0.000 0.752 853 L CB -0.885 41.044 42.059 -0.217 0.000 0.896 853 L HN 0.509 nan 8.230 nan 0.000 0.433 854 G N -0.404 108.368 108.800 -0.047 0.000 2.422 854 G HA2 -0.224 3.740 3.960 0.006 0.000 0.218 854 G HA3 -0.224 3.740 3.960 0.006 0.000 0.218 854 G C 1.424 176.313 174.900 -0.018 0.000 1.146 854 G CA 0.532 45.615 45.100 -0.028 0.000 0.769 854 G HN 0.443 nan 8.290 nan 0.000 0.547 855 E N -0.031 120.160 120.200 -0.014 0.000 2.106 855 E HA 0.006 4.359 4.350 0.006 0.000 0.192 855 E C 2.516 179.115 176.600 -0.001 0.000 0.984 855 E CA 0.380 56.778 56.400 -0.003 0.000 0.806 855 E CB -0.137 29.566 29.700 0.005 0.000 0.750 855 E HN 0.394 nan 8.360 nan 0.000 0.458 856 L N 0.516 121.734 121.223 -0.007 0.000 2.109 856 L HA -0.086 4.258 4.340 0.006 0.000 0.207 856 L C 2.571 179.439 176.870 -0.004 0.000 1.086 856 L CA 0.748 55.587 54.840 -0.002 0.000 0.760 856 L CB -0.384 41.672 42.059 -0.006 0.000 0.910 856 L HN 0.127 nan 8.230 nan 0.000 0.437 857 A N 0.236 123.049 122.820 -0.012 0.000 1.933 857 A HA -0.191 4.132 4.320 0.006 0.000 0.218 857 A C 2.271 179.853 177.584 -0.004 0.000 1.175 857 A CA 1.442 53.474 52.037 -0.009 0.000 0.628 857 A CB -0.282 18.708 19.000 -0.016 0.000 0.814 857 A HN 0.321 nan 8.150 nan 0.000 0.444 858 K N -0.659 119.739 120.400 -0.004 0.000 2.288 858 K HA -0.034 4.290 4.320 0.006 0.000 0.201 858 K C 1.798 178.399 176.600 0.002 0.000 1.048 858 K CA 0.952 57.239 56.287 -0.001 0.000 0.956 858 K CB -0.069 32.430 32.500 -0.001 0.000 0.746 858 K HN 0.394 nan 8.250 nan 0.000 0.461 859 R N -0.234 120.268 120.500 0.004 0.000 2.297 859 R HA 0.030 4.374 4.340 0.006 0.000 0.197 859 R C 0.890 177.194 176.300 0.007 0.000 0.943 859 R CA 0.529 56.632 56.100 0.006 0.000 1.038 859 R CB 0.382 30.688 30.300 0.009 0.000 0.957 859 R HN 0.325 nan 8.270 nan 0.000 0.484 860 G N 1.287 110.090 108.800 0.005 0.000 2.143 860 G HA2 -0.301 3.662 3.960 0.006 0.000 0.248 860 G HA3 -0.301 3.662 3.960 0.006 0.000 0.248 860 G C 0.469 175.375 174.900 0.009 0.000 0.991 860 G CA 0.421 45.525 45.100 0.006 0.000 0.689 860 G HN 0.436 nan 8.290 nan 0.000 0.522 861 E N -0.716 119.490 120.200 0.010 0.000 2.250 861 E HA 0.285 4.638 4.350 0.006 0.000 0.192 861 E C 1.462 178.072 176.600 0.017 0.000 0.986 861 E CA 1.065 57.473 56.400 0.014 0.000 0.849 861 E CB 0.203 29.913 29.700 0.016 0.000 0.797 861 E HN 0.903 nan 8.360 nan 0.000 0.482 862 I N -3.380 117.198 120.570 0.013 0.000 3.191 862 I HA 0.409 4.582 4.170 0.006 0.000 0.313 862 I C -0.803 175.320 176.117 0.011 0.000 1.193 862 I CA -1.279 60.032 61.300 0.018 0.000 0.968 862 I CB 2.037 40.048 38.000 0.018 0.000 1.262 862 I HN -0.347 nan 8.210 nan 0.000 0.456 863 D N 2.179 122.588 120.400 0.016 0.000 2.350 863 D HA 0.156 4.800 4.640 0.006 0.000 0.249 863 D C 0.592 176.894 176.300 0.003 0.000 1.119 863 D CA -0.068 53.938 54.000 0.010 0.000 0.886 863 D CB 1.737 42.545 40.800 0.013 0.000 1.195 863 D HN 0.598 nan 8.370 nan 0.000 0.437 864 K N 2.255 122.655 120.400 -0.001 0.000 2.211 864 K HA -0.152 4.172 4.320 0.006 0.000 0.204 864 K C 1.633 178.229 176.600 -0.006 0.000 1.047 864 K CA 0.986 57.270 56.287 -0.006 0.000 0.935 864 K CB 0.251 32.748 32.500 -0.005 0.000 0.728 864 K HN 0.367 nan 8.250 nan 0.000 0.452 865 K N 0.564 120.964 120.400 -0.001 0.000 2.283 865 K HA -0.056 4.268 4.320 0.006 0.000 0.202 865 K C 1.935 178.536 176.600 0.002 0.000 1.048 865 K CA 0.706 56.992 56.287 -0.001 0.000 0.948 865 K CB 0.065 32.566 32.500 0.002 0.000 0.742 865 K HN -0.050 nan 8.250 nan 0.000 0.458 866 V N 0.991 120.911 119.914 0.011 0.000 2.358 866 V HA -0.207 3.916 4.120 0.006 0.000 0.246 866 V C 2.225 178.314 176.094 -0.009 0.000 1.047 866 V CA 1.403 63.722 62.300 0.031 0.000 1.035 866 V CB -0.279 31.577 31.823 0.054 0.000 0.658 866 V HN 0.057 nan 8.190 nan 0.000 0.452 867 V N 0.455 120.348 119.914 -0.035 0.000 2.358 867 V HA -0.216 3.908 4.120 0.006 0.000 0.246 867 V C 2.717 178.792 176.094 -0.033 0.000 1.047 867 V CA 1.922 64.191 62.300 -0.051 0.000 1.035 867 V CB -1.223 30.575 31.823 -0.041 0.000 0.658 867 V HN 0.539 nan 8.190 nan 0.000 0.452 868 A N 0.160 122.967 122.820 -0.022 0.000 1.902 868 A HA -0.241 4.083 4.320 0.006 0.000 0.217 868 A C 1.965 179.531 177.584 -0.030 0.000 1.181 868 A CA 2.027 54.052 52.037 -0.020 0.000 0.623 868 A CB -0.622 18.370 19.000 -0.014 0.000 0.818 868 A HN 0.538 nan 8.150 nan 0.000 0.443 869 D N 0.091 120.473 120.400 -0.030 0.000 2.178 869 D HA 0.000 4.644 4.640 0.006 0.000 0.202 869 D C 2.169 178.408 176.300 -0.101 0.000 0.974 869 D CA 1.341 55.313 54.000 -0.047 0.000 0.841 869 D CB -0.403 40.383 40.800 -0.024 0.000 0.953 869 D HN 0.435 nan 8.370 nan 0.000 0.478 870 A N 0.824 123.588 122.820 -0.093 0.000 1.873 870 A HA -0.123 4.201 4.320 0.006 0.000 0.215 870 A C 2.352 179.835 177.584 -0.168 0.000 1.186 870 A CA 0.779 52.693 52.037 -0.204 0.000 0.616 870 A CB -0.728 18.244 19.000 -0.046 0.000 0.823 870 A HN 0.168 nan 8.150 nan 0.000 0.442 871 I N -0.179 120.370 120.570 -0.036 0.000 2.194 871 I HA -0.345 3.829 4.170 0.006 0.000 0.246 871 I C 2.979 179.086 176.117 -0.016 0.000 1.093 871 I CA 1.207 62.506 61.300 -0.001 0.000 1.355 871 I CB -0.320 37.672 38.000 -0.014 0.000 1.046 871 I HN 0.389 nan 8.210 nan 0.000 0.413 872 A N 0.718 123.507 122.820 -0.053 0.000 1.877 872 A HA -0.268 4.056 4.320 0.006 0.000 0.216 872 A C 2.385 179.922 177.584 -0.077 0.000 1.186 872 A CA 2.002 54.010 52.037 -0.047 0.000 0.620 872 A CB -0.582 18.389 19.000 -0.048 0.000 0.822 872 A HN 0.397 nan 8.150 nan 0.000 0.443 873 K N -1.561 118.724 120.400 -0.191 0.000 2.147 873 K HA -0.130 4.194 4.320 0.006 0.000 0.205 873 K C 0.905 177.399 176.600 -0.177 0.000 1.049 873 K CA 1.521 57.654 56.287 -0.256 0.000 0.936 873 K CB -0.263 31.968 32.500 -0.448 0.000 0.722 873 K HN 0.362 nan 8.250 nan 0.000 0.446 874 F N 1.491 121.449 119.950 0.013 0.000 2.797 874 F HA 0.176 4.707 4.527 0.006 0.000 0.302 874 F C 0.155 175.974 175.800 0.032 0.000 1.130 874 F CA -0.253 57.755 58.000 0.014 0.000 1.387 874 F CB -0.322 38.670 39.000 -0.012 0.000 1.107 874 F HN 0.074 nan 8.300 nan 0.000 0.577 875 N N 0.972 119.771 118.700 0.164 0.000 2.740 875 N HA -0.224 4.520 4.740 0.006 0.000 0.248 875 N C -0.394 175.257 175.510 0.235 0.000 1.062 875 N CA 0.477 53.610 53.050 0.139 0.000 0.704 875 N CB -1.623 36.916 38.487 0.086 0.000 0.968 875 N HN 0.282 nan 8.380 nan 0.000 0.547 876 I N 0.463 121.126 120.570 0.155 0.000 2.342 876 I HA 0.061 4.235 4.170 0.006 0.000 0.291 876 I C 0.684 176.847 176.117 0.076 0.000 1.010 876 I CA -0.432 60.912 61.300 0.072 0.000 1.308 876 I CB 0.982 38.877 38.000 -0.173 0.000 1.400 876 I HN -0.070 nan 8.210 nan 0.000 0.488 877 D N 6.176 126.639 120.400 0.106 0.000 2.468 877 D HA 0.253 4.896 4.640 0.006 0.000 0.218 877 D C 0.928 177.264 176.300 0.059 0.000 1.155 877 D CA -0.211 53.835 54.000 0.077 0.000 0.924 877 D CB 1.394 42.244 40.800 0.083 0.000 1.029 877 D HN 0.623 nan 8.370 nan 0.000 0.515 878 A N 3.657 126.502 122.820 0.041 0.000 2.131 878 A HA -0.134 4.190 4.320 0.006 0.000 0.220 878 A C 1.276 178.875 177.584 0.025 0.000 1.158 878 A CA 1.071 53.128 52.037 0.034 0.000 0.665 878 A CB 0.112 19.124 19.000 0.020 0.000 0.795 878 A HN 0.538 nan 8.150 nan 0.000 0.460 879 D N -0.497 119.917 120.400 0.023 0.000 2.440 879 D HA 0.074 4.718 4.640 0.006 0.000 0.216 879 D C 0.170 176.477 176.300 0.011 0.000 1.150 879 D CA -0.053 53.955 54.000 0.014 0.000 0.832 879 D CB 0.226 41.034 40.800 0.013 0.000 0.992 879 D HN 0.723 nan 8.370 nan 0.000 0.502 880 K N 0.456 120.864 120.400 0.013 0.000 2.219 880 K HA 0.246 4.570 4.320 0.006 0.000 0.258 880 K C 0.485 177.077 176.600 -0.013 0.000 1.008 880 K CA -0.588 55.703 56.287 0.007 0.000 0.928 880 K CB 1.490 33.996 32.500 0.011 0.000 0.983 880 K HN -0.233 nan 8.250 nan 0.000 0.484 881 V N 1.969 121.876 119.914 -0.011 0.000 2.872 881 V HA -0.080 4.044 4.120 0.006 0.000 0.307 881 V C 0.209 176.272 176.094 -0.052 0.000 1.072 881 V CA -0.208 62.081 62.300 -0.019 0.000 1.148 881 V CB 0.532 32.355 31.823 -0.001 0.000 0.954 881 V HN 0.970 nan 8.190 nan 0.000 0.490 882 N N 6.376 125.047 118.700 -0.048 0.000 2.359 882 N HA 0.062 4.805 4.740 0.006 0.000 0.261 882 N C -1.714 173.742 175.510 -0.090 0.000 1.267 882 N CA -0.863 52.144 53.050 -0.071 0.000 0.864 882 N CB 1.347 39.807 38.487 -0.045 0.000 1.063 882 N HN 0.445 nan 8.380 nan 0.000 0.474 883 P HA -0.167 nan 4.420 nan 0.000 0.218 883 P C 1.207 178.498 177.300 -0.015 0.000 1.146 883 P CA 1.183 64.161 63.100 -0.203 0.000 0.813 883 P CB 0.125 31.629 31.700 -0.326 0.000 0.778 884 R N -0.080 120.415 120.500 -0.009 0.000 2.152 884 R HA -0.071 4.273 4.340 0.006 0.000 0.232 884 R C 1.683 178.002 176.300 0.032 0.000 1.117 884 R CA 1.129 57.232 56.100 0.006 0.000 0.981 884 R CB -0.537 29.747 30.300 -0.027 0.000 0.870 884 R HN 0.227 nan 8.270 nan 0.000 0.451 885 L N 0.071 121.312 121.223 0.031 0.000 2.585 885 L HA 0.279 4.622 4.340 0.006 0.000 0.226 885 L C 1.142 178.059 176.870 0.078 0.000 1.113 885 L CA -0.277 54.595 54.840 0.053 0.000 0.876 885 L CB 0.009 42.084 42.059 0.026 0.000 1.072 885 L HN 0.123 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.870 122.820 0.083 0.000 2.254 886 A HA 0.000 4.324 4.320 0.006 0.000 0.244 886 A CA 0.000 52.096 52.037 0.098 0.000 0.836 886 A CB 0.000 19.085 19.000 0.141 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486