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 1w8n_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIGAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMScDDGQT WPVSKVFQPG SMSYSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGIcA PFTIPDVALE PGQQVTVPVA VTNQSGIAVP KPSLQLDASP DATA SEQUENCE DWQVQGSVEP LMPGRQAKGQ VTITVPAGTT PGRYRVGATL RTSAGNASTT DATA SEQUENCE FTVTVGLLDQ ARMSIADVDS EETAREDGRA SNVIDGNPST FWHTEWSRAD DATA SEQUENCE APGYPHRISL DLGGTHTISG LQYTRRQNSA NEQVADYEIY TSLNGTTWDG DATA SEQUENCE PVASGRFTTS LAPQRAVFPA RDARYIRLVA LSEQTGHKYA AVAELEVEGQ DATA SEQUENCE R 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 47 G C 0.000 174.962 174.900 0.103 0.000 0.946 47 G CA 0.000 45.155 45.100 0.092 0.000 0.502 48 E N 1.265 121.527 120.200 0.102 0.000 2.299 48 E HA 0.434 4.786 4.350 0.002 0.000 0.272 48 E C -2.068 174.626 176.600 0.157 0.000 1.043 48 E CA -1.290 55.178 56.400 0.113 0.000 0.895 48 E CB 0.687 30.444 29.700 0.095 0.000 1.011 48 E HN 0.071 nan 8.360 nan 0.000 0.432 49 P HA -0.047 nan 4.420 nan 0.000 0.264 49 P C -1.258 176.211 177.300 0.282 0.000 1.183 49 P CA 0.140 63.412 63.100 0.287 0.000 0.763 49 P CB 0.389 32.267 31.700 0.297 0.000 0.807 50 L N 5.185 126.607 121.223 0.332 0.000 2.409 50 L HA 0.623 4.964 4.340 0.002 0.000 0.272 50 L C -1.813 175.147 176.870 0.149 0.000 0.980 50 L CA -0.701 54.265 54.840 0.209 0.000 0.826 50 L CB 1.369 43.509 42.059 0.135 0.000 1.268 50 L HN 0.302 nan 8.230 nan 0.000 0.407 51 Y N 3.880 124.122 120.300 -0.097 0.000 2.323 51 Y HA 0.619 5.170 4.550 0.002 0.000 0.322 51 Y C -0.905 174.914 175.900 -0.134 0.000 1.133 51 Y CA -0.143 57.768 58.100 -0.315 0.000 1.093 51 Y CB 1.676 39.663 38.460 -0.788 0.000 1.203 51 Y HN 0.775 nan 8.280 nan 0.000 0.427 52 T N 1.939 116.187 114.554 -0.509 0.000 2.906 52 T HA 0.818 5.169 4.350 0.002 0.000 0.295 52 T C -1.116 173.336 174.700 -0.414 0.000 1.075 52 T CA -0.928 61.005 62.100 -0.278 0.000 1.005 52 T CB 2.734 71.538 68.868 -0.107 0.000 1.136 52 T HN 0.596 nan 8.240 nan 0.000 0.498 53 E N 0.565 120.668 120.200 -0.161 0.000 2.408 53 E HA 0.566 4.917 4.350 0.002 0.000 0.275 53 E C -1.378 175.209 176.600 -0.021 0.000 0.935 53 E CA -1.047 55.284 56.400 -0.114 0.000 0.775 53 E CB 2.658 32.363 29.700 0.008 0.000 1.277 53 E HN 0.840 nan 8.360 nan 0.000 0.455 54 Q N 1.448 121.235 119.800 -0.023 0.000 2.364 54 Q HA 0.226 4.567 4.340 0.002 0.000 0.257 54 Q C -1.739 174.198 176.000 -0.106 0.000 0.956 54 Q CA -0.747 55.048 55.803 -0.013 0.000 0.924 54 Q CB 1.513 30.297 28.738 0.077 0.000 1.413 54 Q HN 0.309 nan 8.270 nan 0.000 0.418 55 D N 3.798 124.120 120.400 -0.130 0.000 2.424 55 D HA 0.127 4.768 4.640 0.002 0.000 0.244 55 D C 0.533 176.674 176.300 -0.266 0.000 1.134 55 D CA 0.262 54.138 54.000 -0.206 0.000 0.881 55 D CB 1.271 41.977 40.800 -0.156 0.000 1.191 55 D HN 0.640 nan 8.370 nan 0.000 0.445 56 L N 0.506 121.496 121.223 -0.388 0.000 2.609 56 L HA 0.289 4.630 4.340 0.002 0.000 0.230 56 L C 0.641 177.232 176.870 -0.464 0.000 1.064 56 L CA 0.182 54.747 54.840 -0.459 0.000 0.873 56 L CB 0.361 42.047 42.059 -0.621 0.000 1.139 56 L HN 0.304 nan 8.230 nan 0.000 0.490 57 A N 0.297 122.776 122.820 -0.568 0.000 2.459 57 A HA 0.666 4.987 4.320 0.002 0.000 0.296 57 A C -1.172 176.189 177.584 -0.372 0.000 1.039 57 A CA -0.313 51.317 52.037 -0.678 0.000 0.698 57 A CB 1.797 19.954 19.000 -1.405 0.000 1.261 57 A HN -0.157 nan 8.150 nan 0.000 0.405 58 V N 2.949 122.774 119.914 -0.150 0.000 2.448 58 V HA 0.287 4.408 4.120 0.002 0.000 0.295 58 V C -0.259 175.974 176.094 0.230 0.000 1.025 58 V CA -1.204 61.106 62.300 0.017 0.000 0.859 58 V CB 1.693 33.511 31.823 -0.008 0.000 0.988 58 V HN 0.870 nan 8.190 nan 0.000 0.431 59 N N 3.619 122.443 118.700 0.207 0.000 2.301 59 N HA 0.197 4.938 4.740 0.002 0.000 0.267 59 N C 1.198 176.767 175.510 0.098 0.000 1.304 59 N CA 1.501 54.644 53.050 0.154 0.000 0.851 59 N CB 0.822 39.342 38.487 0.055 0.000 1.070 59 N HN 1.191 nan 8.380 nan 0.000 0.483 60 G N 1.938 110.787 108.800 0.081 0.000 2.238 60 G HA2 -0.235 3.726 3.960 0.002 0.000 0.217 60 G HA3 -0.235 3.726 3.960 0.002 0.000 0.217 60 G C 0.070 175.019 174.900 0.082 0.000 0.996 60 G CA -0.410 44.719 45.100 0.049 0.000 0.632 60 G HN 0.571 nan 8.290 nan 0.000 0.503 61 R N 0.232 120.835 120.500 0.171 0.000 2.711 61 R HA 0.597 4.939 4.340 0.002 0.000 0.284 61 R C 0.219 176.682 176.300 0.272 0.000 0.968 61 R CA -0.481 55.717 56.100 0.163 0.000 0.924 61 R CB 1.010 31.379 30.300 0.115 0.000 1.162 61 R HN 0.135 nan 8.270 nan 0.000 0.465 62 E N 0.324 120.631 120.200 0.178 0.000 2.868 62 E HA -0.237 4.114 4.350 0.002 0.000 0.278 62 E C 0.552 177.299 176.600 0.245 0.000 1.009 62 E CA 1.246 57.766 56.400 0.200 0.000 0.856 62 E CB -1.557 28.265 29.700 0.203 0.000 1.428 62 E HN 1.198 nan 8.360 nan 0.000 0.423 63 G N -1.104 107.749 108.800 0.088 0.000 2.229 63 G HA2 -0.191 3.770 3.960 0.002 0.000 0.189 63 G HA3 -0.191 3.770 3.960 0.002 0.000 0.189 63 G C -0.107 174.411 174.900 -0.636 0.000 1.000 63 G CA -0.130 44.827 45.100 -0.238 0.000 0.663 63 G HN 0.139 nan 8.290 nan 0.000 0.493 64 F N 0.505 120.406 119.950 -0.081 0.000 2.569 64 F HA 0.547 5.075 4.527 0.002 0.000 0.312 64 F C -1.464 174.147 175.800 -0.314 0.000 1.109 64 F CA -1.731 56.091 58.000 -0.296 0.000 0.919 64 F CB 2.418 41.028 39.000 -0.650 0.000 1.211 64 F HN -0.171 nan 8.300 nan 0.000 0.446 65 P HA -0.116 nan 4.420 nan 0.000 0.226 65 P C -0.480 176.755 177.300 -0.109 0.000 1.153 65 P CA 1.148 64.204 63.100 -0.073 0.000 0.777 65 P CB 0.647 32.317 31.700 -0.050 0.000 0.794 66 N N -1.128 117.444 118.700 -0.214 0.000 2.371 66 N HA 0.156 4.897 4.740 0.002 0.000 0.280 66 N C -1.956 173.322 175.510 -0.387 0.000 1.084 66 N CA -0.359 52.571 53.050 -0.201 0.000 0.892 66 N CB 1.437 39.861 38.487 -0.105 0.000 1.653 66 N HN -0.277 nan 8.380 nan 0.000 0.480 67 Y N 1.470 121.741 120.300 -0.049 0.000 2.425 67 Y HA 0.589 5.140 4.550 0.002 0.000 0.344 67 Y C 0.384 176.209 175.900 -0.125 0.000 0.969 67 Y CA -0.562 57.480 58.100 -0.096 0.000 1.052 67 Y CB 1.835 40.195 38.460 -0.167 0.000 1.215 67 Y HN 0.283 nan 8.280 nan 0.000 0.451 68 R N 2.314 122.844 120.500 0.048 0.000 2.752 68 R HA 0.618 4.960 4.340 0.002 0.000 0.271 68 R C -1.721 174.576 176.300 -0.004 0.000 1.026 68 R CA -1.086 54.989 56.100 -0.042 0.000 0.901 68 R CB 2.409 32.635 30.300 -0.124 0.000 1.243 68 R HN 0.639 nan 8.270 nan 0.000 0.463 69 I N -0.115 120.428 120.570 -0.045 0.000 6.568 69 I HA -0.115 4.057 4.170 0.002 0.000 0.126 69 I C -2.597 173.606 176.117 0.143 0.000 1.827 69 I CA -0.575 60.753 61.300 0.047 0.000 2.037 69 I CB -1.693 36.326 38.000 0.032 0.000 3.509 69 I HN 0.489 nan 8.210 nan 0.000 0.169 70 P HA 0.583 nan 4.420 nan 0.000 0.284 70 P C -0.500 176.896 177.300 0.160 0.000 1.253 70 P CA -0.114 63.089 63.100 0.172 0.000 0.800 70 P CB 2.170 33.961 31.700 0.153 0.000 0.961 71 A N 3.217 126.133 122.820 0.161 0.000 2.422 71 A HA 0.732 5.053 4.320 0.002 0.000 0.302 71 A C -1.596 176.206 177.584 0.363 0.000 1.041 71 A CA -0.665 51.474 52.037 0.171 0.000 0.708 71 A CB 1.093 20.058 19.000 -0.058 0.000 1.257 71 A HN 0.542 nan 8.150 nan 0.000 0.414 72 L N 1.424 122.898 121.223 0.419 0.000 2.455 72 L HA 0.913 5.254 4.340 0.002 0.000 0.264 72 L C -0.354 176.677 176.870 0.269 0.000 0.968 72 L CA 0.385 55.448 54.840 0.372 0.000 0.827 72 L CB 2.366 44.593 42.059 0.280 0.000 1.317 72 L HN 0.963 nan 8.230 nan 0.000 0.407 73 T N 2.302 116.895 114.554 0.065 0.000 2.711 73 T HA 0.710 5.061 4.350 0.002 0.000 0.302 73 T C -1.929 172.719 174.700 -0.087 0.000 1.373 73 T CA -0.322 61.759 62.100 -0.031 0.000 1.000 73 T CB 1.360 70.161 68.868 -0.113 0.000 1.483 73 T HN 0.400 nan 8.240 nan 0.000 0.499 74 V N 2.907 122.782 119.914 -0.066 0.000 2.487 74 V HA 0.554 4.676 4.120 0.002 0.000 0.298 74 V C 0.807 176.850 176.094 -0.085 0.000 1.028 74 V CA -0.716 61.539 62.300 -0.075 0.000 0.860 74 V CB 1.485 33.281 31.823 -0.046 0.000 0.991 74 V HN 1.138 nan 8.190 nan 0.000 0.427 75 T N 2.718 117.208 114.554 -0.107 0.000 2.813 75 T HA 0.228 4.580 4.350 0.002 0.000 0.297 75 T C -1.588 173.072 174.700 -0.068 0.000 1.036 75 T CA -1.215 60.828 62.100 -0.095 0.000 1.044 75 T CB 0.967 69.767 68.868 -0.112 0.000 0.993 75 T HN 0.440 nan 8.240 nan 0.000 0.535 76 P HA -0.074 nan 4.420 nan 0.000 0.216 76 P C 0.819 178.087 177.300 -0.052 0.000 1.150 76 P CA 1.033 64.108 63.100 -0.042 0.000 0.843 76 P CB -0.008 31.669 31.700 -0.040 0.000 0.787 77 D N -2.192 118.168 120.400 -0.068 0.000 2.349 77 D HA 0.122 4.764 4.640 0.002 0.000 0.224 77 D C 1.460 177.713 176.300 -0.078 0.000 1.029 77 D CA 0.980 54.938 54.000 -0.070 0.000 0.879 77 D CB -0.314 40.441 40.800 -0.076 0.000 0.906 77 D HN 0.174 nan 8.370 nan 0.000 0.528 78 G N 1.171 109.921 108.800 -0.083 0.000 2.141 78 G HA2 -0.210 3.751 3.960 0.002 0.000 0.231 78 G HA3 -0.210 3.751 3.960 0.002 0.000 0.231 78 G C -0.303 174.523 174.900 -0.124 0.000 0.984 78 G CA -0.393 44.652 45.100 -0.092 0.000 0.660 78 G HN 0.176 nan 8.290 nan 0.000 0.525 79 D N 0.087 120.407 120.400 -0.133 0.000 2.304 79 D HA 0.549 5.191 4.640 0.002 0.000 0.247 79 D C 0.601 176.792 176.300 -0.181 0.000 1.089 79 D CA -0.202 53.693 54.000 -0.175 0.000 0.910 79 D CB 1.257 41.963 40.800 -0.156 0.000 1.199 79 D HN 0.088 nan 8.370 nan 0.000 0.426 80 L N 1.616 122.684 121.223 -0.258 0.000 2.312 80 L HA 0.344 4.685 4.340 0.002 0.000 0.281 80 L C -0.111 176.711 176.870 -0.080 0.000 1.070 80 L CA -0.173 54.557 54.840 -0.182 0.000 0.805 80 L CB 0.608 42.514 42.059 -0.255 0.000 1.174 80 L HN 0.133 nan 8.230 nan 0.000 0.434 81 L N 3.240 124.450 121.223 -0.021 0.000 2.322 81 L HA 0.832 5.173 4.340 0.002 0.000 0.281 81 L C -0.133 176.881 176.870 0.240 0.000 1.014 81 L CA -0.701 54.178 54.840 0.064 0.000 0.815 81 L CB 1.670 43.595 42.059 -0.223 0.000 1.247 81 L HN 0.704 nan 8.230 nan 0.000 0.421 82 A N 2.265 125.311 122.820 0.377 0.000 2.318 82 A HA 0.735 5.056 4.320 0.002 0.000 0.317 82 A C -0.559 177.193 177.584 0.280 0.000 1.159 82 A CA -0.414 51.820 52.037 0.328 0.000 0.799 82 A CB 1.813 20.854 19.000 0.068 0.000 1.194 82 A HN 0.581 nan 8.150 nan 0.000 0.479 83 S N 1.317 117.161 115.700 0.240 0.000 2.568 83 S HA 0.945 5.417 4.470 0.002 0.000 0.293 83 S C -1.189 173.373 174.600 -0.063 0.000 1.089 83 S CA -0.425 57.687 58.200 -0.147 0.000 0.945 83 S CB 0.984 63.959 63.200 -0.375 0.000 1.077 83 S HN 1.441 nan 8.310 nan 0.000 0.485 84 Y N -0.614 119.614 120.300 -0.120 0.000 2.732 84 Y HA 0.515 5.066 4.550 0.002 0.000 0.342 84 Y C -1.410 174.414 175.900 -0.128 0.000 1.203 84 Y CA -1.387 56.652 58.100 -0.102 0.000 1.092 84 Y CB -0.176 38.233 38.460 -0.084 0.000 1.345 84 Y HN 0.382 nan 8.280 nan 0.000 0.458 85 D N 0.842 121.292 120.400 0.084 0.000 2.345 85 D HA 0.460 5.101 4.640 0.002 0.000 0.247 85 D C 0.081 176.356 176.300 -0.041 0.000 1.108 85 D CA 0.583 54.552 54.000 -0.050 0.000 0.894 85 D CB 1.452 42.219 40.800 -0.055 0.000 1.203 85 D HN 0.965 nan 8.370 nan 0.000 0.430 86 G N 1.595 110.116 108.800 -0.464 0.000 2.322 86 G HA2 0.499 4.461 3.960 0.002 0.000 0.309 86 G HA3 0.499 4.461 3.960 0.002 0.000 0.309 86 G C -0.383 174.126 174.900 -0.651 0.000 1.121 86 G CA -0.751 43.651 45.100 -1.163 0.000 0.886 86 G HN 0.295 nan 8.290 nan 0.000 0.447 87 R N 3.497 123.822 120.500 -0.291 0.000 2.352 87 R HA 0.238 4.579 4.340 0.002 0.000 0.304 87 R C -2.079 174.269 176.300 0.080 0.000 1.104 87 R CA -1.594 54.471 56.100 -0.060 0.000 0.991 87 R CB 2.553 32.800 30.300 -0.088 0.000 1.140 87 R HN 0.301 nan 8.270 nan 0.000 0.540 88 P HA -0.102 nan 4.420 nan 0.000 0.226 88 P C 0.839 178.158 177.300 0.033 0.000 1.153 88 P CA 1.142 64.322 63.100 0.133 0.000 0.777 88 P CB 0.399 32.167 31.700 0.114 0.000 0.794 89 T N -6.537 108.027 114.554 0.016 0.000 3.132 89 T HA 0.470 4.821 4.350 0.002 0.000 0.274 89 T C 1.326 176.013 174.700 -0.022 0.000 1.011 89 T CA 0.207 62.302 62.100 -0.009 0.000 0.899 89 T CB -0.392 68.470 68.868 -0.010 0.000 1.089 89 T HN 0.169 nan 8.240 nan 0.000 0.543 90 G N 2.161 110.943 108.800 -0.029 0.000 2.148 90 G HA2 -0.226 3.735 3.960 0.002 0.000 0.254 90 G HA3 -0.226 3.735 3.960 0.002 0.000 0.254 90 G C 0.020 174.891 174.900 -0.049 0.000 0.981 90 G CA 0.453 45.527 45.100 -0.044 0.000 0.670 90 G HN 1.108 nan 8.290 nan 0.000 0.528 91 I N -2.768 117.775 120.570 -0.046 0.000 3.002 91 I HA 0.919 5.091 4.170 0.002 0.000 0.310 91 I C 0.839 176.921 176.117 -0.060 0.000 1.087 91 I CA -0.984 60.285 61.300 -0.051 0.000 1.017 91 I CB 1.518 39.493 38.000 -0.041 0.000 1.226 91 I HN 0.176 nan 8.210 nan 0.000 0.443 92 G N 1.150 109.910 108.800 -0.067 0.000 2.553 92 G HA2 0.533 4.495 3.960 0.002 0.000 0.278 92 G HA3 0.533 4.495 3.960 0.002 0.000 0.278 92 G C -0.082 174.776 174.900 -0.069 0.000 1.349 92 G CA -0.328 44.726 45.100 -0.078 0.000 1.037 92 G HN 1.061 nan 8.290 nan 0.000 0.508 93 A N 0.267 123.041 122.820 -0.078 0.000 2.531 93 A HA 0.442 4.764 4.320 0.002 0.000 0.236 93 A C -1.179 176.367 177.584 -0.065 0.000 1.062 93 A CA -0.586 51.408 52.037 -0.071 0.000 0.760 93 A CB 0.231 19.188 19.000 -0.072 0.000 0.995 93 A HN 0.455 nan 8.150 nan 0.000 0.501 94 P HA 0.134 nan 4.420 nan 0.000 0.249 94 P C 0.640 177.905 177.300 -0.059 0.000 1.583 94 P CA 0.217 63.275 63.100 -0.069 0.000 0.988 94 P CB -0.309 31.349 31.700 -0.070 0.000 1.530 95 G N 2.916 111.686 108.800 -0.050 0.000 2.474 95 G HA2 0.084 4.045 3.960 0.002 0.000 0.233 95 G HA3 0.084 4.045 3.960 0.002 0.000 0.233 95 G C -1.945 172.934 174.900 -0.036 0.000 1.278 95 G CA -0.788 44.290 45.100 -0.036 0.000 0.861 95 G HN 0.115 nan 8.290 nan 0.000 0.567 96 P HA 0.075 nan 4.420 nan 0.000 0.225 96 P C -0.450 176.877 177.300 0.044 0.000 1.768 96 P CA -0.501 62.600 63.100 0.002 0.000 0.943 96 P CB -0.048 31.664 31.700 0.020 0.000 1.936 97 N N 0.313 119.021 118.700 0.014 0.000 2.467 97 N HA 0.229 4.970 4.740 0.002 0.000 0.262 97 N C 0.242 175.791 175.510 0.064 0.000 1.234 97 N CA 0.076 53.135 53.050 0.014 0.000 0.952 97 N CB 0.464 38.931 38.487 -0.034 0.000 1.158 97 N HN 0.078 nan 8.380 nan 0.000 0.463 98 S N 0.405 116.090 115.700 -0.025 0.000 2.532 98 S HA 0.527 4.999 4.470 0.002 0.000 0.301 98 S C -0.148 174.338 174.600 -0.190 0.000 1.083 98 S CA -0.744 57.436 58.200 -0.035 0.000 1.025 98 S CB 1.273 64.476 63.200 0.006 0.000 1.056 98 S HN 0.267 nan 8.310 nan 0.000 0.494 99 I N 3.220 123.639 120.570 -0.251 0.000 2.342 99 I HA 0.357 4.528 4.170 0.002 0.000 0.291 99 I C -0.231 175.655 176.117 -0.385 0.000 1.010 99 I CA -0.138 60.928 61.300 -0.391 0.000 1.308 99 I CB 0.237 37.857 38.000 -0.634 0.000 1.400 99 I HN 0.457 nan 8.210 nan 0.000 0.488 100 L N 5.690 126.638 121.223 -0.458 0.000 2.304 100 L HA 0.632 4.973 4.340 0.002 0.000 0.268 100 L C -0.251 176.271 176.870 -0.579 0.000 1.010 100 L CA -0.774 53.769 54.840 -0.495 0.000 0.813 100 L CB 1.843 43.553 42.059 -0.582 0.000 1.315 100 L HN 0.524 nan 8.230 nan 0.000 0.445 101 Q N 1.077 120.647 119.800 -0.384 0.000 2.295 101 Q HA 0.472 4.813 4.340 0.002 0.000 0.268 101 Q C -1.744 174.241 176.000 -0.026 0.000 1.010 101 Q CA -0.736 54.968 55.803 -0.165 0.000 0.856 101 Q CB 2.616 31.383 28.738 0.048 0.000 1.349 101 Q HN 0.601 nan 8.270 nan 0.000 0.412 102 R N 2.059 122.615 120.500 0.093 0.000 2.740 102 R HA 0.582 4.924 4.340 0.002 0.000 0.282 102 R C -0.908 175.618 176.300 0.376 0.000 0.969 102 R CA -0.892 55.347 56.100 0.232 0.000 0.918 102 R CB 2.442 32.896 30.300 0.256 0.000 1.175 102 R HN 0.526 nan 8.270 nan 0.000 0.464 103 R N 0.866 121.542 120.500 0.294 0.000 2.562 103 R HA 0.350 4.691 4.340 0.002 0.000 0.298 103 R C -1.187 175.023 176.300 -0.150 0.000 0.961 103 R CA -0.288 55.874 56.100 0.103 0.000 0.881 103 R CB 2.066 32.376 30.300 0.017 0.000 1.159 103 R HN 0.549 nan 8.270 nan 0.000 0.450 104 S N 1.185 116.493 115.700 -0.652 0.000 2.454 104 S HA 0.212 4.683 4.470 0.002 0.000 0.306 104 S C 0.586 174.874 174.600 -0.520 0.000 1.100 104 S CA -0.560 57.092 58.200 -0.912 0.000 1.087 104 S CB 1.398 63.503 63.200 -1.825 0.000 1.019 104 S HN 0.720 nan 8.310 nan 0.000 0.480 105 T N 0.071 114.409 114.554 -0.360 0.000 3.069 105 T HA 0.175 4.527 4.350 0.002 0.000 0.252 105 T C 0.169 174.734 174.700 -0.224 0.000 1.053 105 T CA 0.008 61.963 62.100 -0.241 0.000 0.964 105 T CB -0.227 68.541 68.868 -0.166 0.000 1.005 105 T HN 0.629 nan 8.240 nan 0.000 0.532 106 D N 0.497 120.729 120.400 -0.279 0.000 2.788 106 D HA 0.332 4.973 4.640 0.002 0.000 0.289 106 D C 1.310 177.476 176.300 -0.223 0.000 1.340 106 D CA -0.401 53.473 54.000 -0.210 0.000 0.831 106 D CB -0.345 40.353 40.800 -0.171 0.000 1.103 106 D HN 0.355 nan 8.370 nan 0.000 0.476 107 G N -0.438 108.206 108.800 -0.260 0.000 2.153 107 G HA2 -0.078 3.883 3.960 0.002 0.000 0.252 107 G HA3 -0.078 3.883 3.960 0.002 0.000 0.252 107 G C 1.133 175.900 174.900 -0.222 0.000 0.994 107 G CA 0.413 45.386 45.100 -0.211 0.000 0.698 107 G HN 1.495 nan 8.290 nan 0.000 0.521 108 G N -1.411 107.129 108.800 -0.433 0.000 2.218 108 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 108 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 108 G C 1.135 175.982 174.900 -0.088 0.000 0.994 108 G CA 0.912 45.798 45.100 -0.357 0.000 0.637 108 G HN 0.853 nan 8.290 nan 0.000 0.505 109 R N 0.522 120.939 120.500 -0.139 0.000 2.075 109 R HA 0.155 4.496 4.340 0.002 0.000 0.232 109 R C 1.429 177.728 176.300 -0.001 0.000 1.126 109 R CA 1.778 57.869 56.100 -0.015 0.000 0.963 109 R CB -0.229 30.045 30.300 -0.044 0.000 0.858 109 R HN 0.677 nan 8.270 nan 0.000 0.435 110 T N -2.887 111.544 114.554 -0.205 0.000 2.903 110 T HA 0.488 4.839 4.350 0.002 0.000 0.299 110 T C -1.590 172.909 174.700 -0.335 0.000 1.093 110 T CA -0.950 61.101 62.100 -0.081 0.000 1.002 110 T CB 1.733 70.580 68.868 -0.034 0.000 1.127 110 T HN 0.165 nan 8.240 nan 0.000 0.488 111 W N 0.314 121.581 121.300 -0.054 0.000 2.915 111 W HA 0.697 5.358 4.660 0.002 0.000 0.337 111 W C 0.583 177.083 176.519 -0.032 0.000 1.102 111 W CA -0.653 56.657 57.345 -0.058 0.000 1.224 111 W CB 2.075 31.495 29.460 -0.067 0.000 1.416 111 W HN 1.178 nan 8.180 nan 0.000 0.503 112 G N 0.856 109.762 108.800 0.177 0.000 2.535 112 G HA2 0.314 4.275 3.960 0.002 0.000 0.282 112 G HA3 0.314 4.275 3.960 0.002 0.000 0.282 112 G C -0.163 174.812 174.900 0.126 0.000 1.350 112 G CA -0.626 44.536 45.100 0.105 0.000 1.039 112 G HN 0.369 nan 8.290 nan 0.000 0.509 113 E N -0.281 119.972 120.200 0.088 0.000 2.408 113 E HA 0.026 4.377 4.350 0.002 0.000 0.259 113 E C 0.145 176.802 176.600 0.095 0.000 1.110 113 E CA 0.023 56.474 56.400 0.085 0.000 0.929 113 E CB 0.850 30.590 29.700 0.067 0.000 0.971 113 E HN 0.493 nan 8.360 nan 0.000 0.438 114 Q N 1.982 121.838 119.800 0.094 0.000 2.307 114 Q HA 0.028 4.369 4.340 0.002 0.000 0.259 114 Q C -0.666 175.381 176.000 0.078 0.000 0.998 114 Q CA -0.239 55.617 55.803 0.088 0.000 0.923 114 Q CB 0.527 29.337 28.738 0.121 0.000 1.196 114 Q HN 0.243 nan 8.270 nan 0.000 0.416 115 Q N 2.122 121.951 119.800 0.049 0.000 2.297 115 Q HA 0.431 4.772 4.340 0.002 0.000 0.269 115 Q C -0.901 175.103 176.000 0.008 0.000 1.051 115 Q CA -0.827 55.008 55.803 0.054 0.000 0.869 115 Q CB 2.171 30.957 28.738 0.081 0.000 1.346 115 Q HN 0.489 nan 8.270 nan 0.000 0.457 116 V N 1.966 121.895 119.914 0.025 0.000 2.364 116 V HA 0.090 4.211 4.120 0.002 0.000 0.272 116 V C 1.174 177.236 176.094 -0.052 0.000 1.036 116 V CA -0.111 62.175 62.300 -0.023 0.000 0.880 116 V CB 0.953 32.788 31.823 0.020 0.000 0.991 116 V HN 0.636 nan 8.190 nan 0.000 0.460 117 V N 3.432 123.229 119.914 -0.196 0.000 2.331 117 V HA 0.016 4.138 4.120 0.002 0.000 0.242 117 V C 0.875 176.833 176.094 -0.227 0.000 1.034 117 V CA 1.253 63.340 62.300 -0.355 0.000 1.027 117 V CB 0.183 31.569 31.823 -0.728 0.000 0.667 117 V HN 0.837 nan 8.190 nan 0.000 0.457 118 S N 0.053 115.539 115.700 -0.356 0.000 2.647 118 S HA 0.752 5.223 4.470 0.002 0.000 0.300 118 S C -0.354 174.031 174.600 -0.358 0.000 1.129 118 S CA -0.390 57.503 58.200 -0.511 0.000 1.029 118 S CB 1.654 64.325 63.200 -0.882 0.000 1.007 118 S HN 0.475 nan 8.310 nan 0.000 0.484 119 A N 2.648 125.308 122.820 -0.267 0.000 2.309 119 A HA 0.704 5.025 4.320 0.002 0.000 0.290 119 A C 0.852 178.572 177.584 0.227 0.000 1.206 119 A CA -0.385 51.650 52.037 -0.004 0.000 0.850 119 A CB -0.202 18.794 19.000 -0.007 0.000 1.118 119 A HN 0.936 nan 8.150 nan 0.000 0.523 120 G N 0.913 109.886 108.800 0.288 0.000 2.614 120 G HA2 0.405 4.366 3.960 0.002 0.000 0.239 120 G HA3 0.405 4.366 3.960 0.002 0.000 0.239 120 G C -0.062 174.941 174.900 0.171 0.000 1.240 120 G CA -0.119 45.138 45.100 0.262 0.000 0.842 120 G HN 0.879 nan 8.290 nan 0.000 0.584 121 Q N -1.072 118.800 119.800 0.120 0.000 2.309 121 Q HA 0.381 4.723 4.340 0.002 0.000 0.270 121 Q C 0.808 176.837 176.000 0.049 0.000 1.023 121 Q CA -0.461 55.391 55.803 0.081 0.000 0.758 121 Q CB 1.253 30.041 28.738 0.084 0.000 1.247 121 Q HN 0.593 nan 8.270 nan 0.000 0.455 122 T N -0.950 113.627 114.554 0.038 0.000 3.107 122 T HA 0.099 4.450 4.350 0.002 0.000 0.249 122 T C 0.680 175.388 174.700 0.014 0.000 1.096 122 T CA 0.519 62.632 62.100 0.021 0.000 1.012 122 T CB -0.054 68.822 68.868 0.014 0.000 0.977 122 T HN 0.597 nan 8.240 nan 0.000 0.527 123 T N -0.228 114.337 114.554 0.018 0.000 2.950 123 T HA 0.786 5.137 4.350 0.002 0.000 0.288 123 T C 0.056 174.767 174.700 0.019 0.000 1.035 123 T CA -0.768 61.340 62.100 0.014 0.000 1.028 123 T CB 1.514 70.390 68.868 0.012 0.000 1.109 123 T HN 0.323 nan 8.240 nan 0.000 0.514 124 A N 2.505 125.334 122.820 0.016 0.000 2.450 124 A HA 0.581 4.903 4.320 0.002 0.000 0.255 124 A C -2.016 175.584 177.584 0.026 0.000 1.096 124 A CA -1.179 50.869 52.037 0.019 0.000 0.778 124 A CB -0.881 18.128 19.000 0.013 0.000 1.031 124 A HN 0.761 nan 8.150 nan 0.000 0.494 125 P HA 0.278 nan 4.420 nan 0.000 0.286 125 P C -0.348 176.978 177.300 0.044 0.000 1.269 125 P CA -0.460 62.663 63.100 0.039 0.000 0.787 125 P CB 0.551 32.283 31.700 0.055 0.000 0.920 126 I N 3.317 123.903 120.570 0.027 0.000 2.752 126 I HA 0.017 4.188 4.170 0.002 0.000 0.289 126 I C 1.017 177.149 176.117 0.025 0.000 1.197 126 I CA 0.671 61.981 61.300 0.018 0.000 1.432 126 I CB -0.790 37.208 38.000 -0.005 0.000 1.359 126 I HN 0.366 nan 8.210 nan 0.000 0.571 127 K N 4.213 124.626 120.400 0.021 0.000 2.469 127 K HA 0.754 5.075 4.320 0.002 0.000 0.254 127 K C -0.265 176.243 176.600 -0.153 0.000 0.939 127 K CA -0.823 55.452 56.287 -0.019 0.000 0.812 127 K CB 2.736 35.274 32.500 0.062 0.000 1.301 127 K HN 0.777 nan 8.250 nan 0.000 0.433 128 G N 1.499 110.082 108.800 -0.361 0.000 2.638 128 G HA2 0.725 4.687 3.960 0.002 0.000 0.302 128 G HA3 0.725 4.687 3.960 0.002 0.000 0.302 128 G C -1.649 172.856 174.900 -0.659 0.000 1.365 128 G CA -0.500 44.400 45.100 -0.334 0.000 0.987 128 G HN 0.307 nan 8.290 nan 0.000 0.495 129 F N 1.009 121.001 119.950 0.069 0.000 2.536 129 F HA 0.710 5.239 4.527 0.003 0.000 0.322 129 F C 0.326 176.102 175.800 -0.040 0.000 1.144 129 F CA -0.678 57.356 58.000 0.057 0.000 0.924 129 F CB 2.752 41.712 39.000 -0.068 0.000 1.181 129 F HN 0.421 nan 8.300 nan 0.000 0.438 130 S N 0.938 116.735 115.700 0.163 0.000 2.550 130 S HA 0.525 4.996 4.470 0.002 0.000 0.270 130 S C -1.708 172.960 174.600 0.113 0.000 1.145 130 S CA -1.213 57.028 58.200 0.067 0.000 0.852 130 S CB 2.045 65.254 63.200 0.016 0.000 1.119 130 S HN 0.619 nan 8.310 nan 0.000 0.465 131 D N 1.529 121.969 120.400 0.067 0.000 3.241 131 D HA -0.074 4.567 4.640 0.002 0.000 0.248 131 D C -2.644 173.715 176.300 0.099 0.000 1.093 131 D CA 0.498 54.562 54.000 0.107 0.000 0.940 131 D CB -0.648 40.259 40.800 0.180 0.000 0.980 131 D HN 0.265 nan 8.370 nan 0.000 0.421 132 P HA 0.294 nan 4.420 nan 0.000 0.278 132 P C -0.608 176.670 177.300 -0.037 0.000 1.238 132 P CA -0.344 62.742 63.100 -0.022 0.000 0.794 132 P CB 1.852 33.437 31.700 -0.193 0.000 0.955 133 S N 2.242 117.932 115.700 -0.016 0.000 2.677 133 S HA 0.451 4.922 4.470 0.002 0.000 0.283 133 S C -1.205 173.477 174.600 0.135 0.000 1.159 133 S CA -0.566 57.655 58.200 0.034 0.000 1.001 133 S CB 0.235 63.437 63.200 0.002 0.000 1.032 133 S HN 0.251 nan 8.310 nan 0.000 0.487 134 Y N 3.221 123.638 120.300 0.194 0.000 2.300 134 Y HA 0.635 5.186 4.550 0.002 0.000 0.328 134 Y C 0.228 176.308 175.900 0.300 0.000 1.270 134 Y CA -0.590 57.657 58.100 0.244 0.000 1.352 134 Y CB 1.148 39.727 38.460 0.199 0.000 1.286 134 Y HN 0.579 nan 8.280 nan 0.000 0.536 135 L N 2.720 124.297 121.223 0.590 0.000 2.580 135 L HA 0.434 4.775 4.340 0.002 0.000 0.266 135 L C -1.851 175.335 176.870 0.526 0.000 0.955 135 L CA -0.644 54.513 54.840 0.528 0.000 0.886 135 L CB 1.250 43.686 42.059 0.629 0.000 1.263 135 L HN 0.350 nan 8.230 nan 0.000 0.406 136 V N 2.992 123.118 119.914 0.353 0.000 2.407 136 V HA 0.250 4.371 4.120 0.002 0.000 0.278 136 V C -0.064 176.207 176.094 0.295 0.000 1.037 136 V CA -0.501 61.961 62.300 0.269 0.000 0.900 136 V CB 1.481 33.386 31.823 0.137 0.000 0.983 136 V HN 0.604 nan 8.190 nan 0.000 0.459 137 D N 4.730 125.330 120.400 0.334 0.000 2.374 137 D HA 0.153 4.794 4.640 0.002 0.000 0.240 137 D C 1.197 177.610 176.300 0.189 0.000 1.229 137 D CA -0.213 53.973 54.000 0.309 0.000 0.895 137 D CB 0.705 41.761 40.800 0.426 0.000 1.046 137 D HN 0.447 nan 8.370 nan 0.000 0.498 138 R N 2.530 123.122 120.500 0.152 0.000 2.276 138 R HA -0.020 4.321 4.340 0.002 0.000 0.203 138 R C 1.236 177.585 176.300 0.082 0.000 1.017 138 R CA 0.506 56.663 56.100 0.095 0.000 1.010 138 R CB 0.478 30.826 30.300 0.080 0.000 0.900 138 R HN 0.543 nan 8.270 nan 0.000 0.469 139 E N 0.148 120.417 120.200 0.116 0.000 2.086 139 E HA -0.079 4.272 4.350 0.002 0.000 0.190 139 E C 1.600 178.208 176.600 0.014 0.000 0.975 139 E CA 1.639 58.088 56.400 0.082 0.000 0.813 139 E CB 0.180 29.974 29.700 0.156 0.000 0.768 139 E HN 0.330 nan 8.360 nan 0.000 0.457 140 T N -3.447 111.124 114.554 0.029 0.000 3.022 140 T HA 0.294 4.645 4.350 0.002 0.000 0.250 140 T C 1.586 176.278 174.700 -0.012 0.000 1.060 140 T CA 0.381 62.464 62.100 -0.027 0.000 1.013 140 T CB 0.832 69.681 68.868 -0.032 0.000 0.982 140 T HN 0.273 nan 8.240 nan 0.000 0.508 141 G N 1.362 110.169 108.800 0.011 0.000 2.184 141 G HA2 -0.267 3.694 3.960 0.002 0.000 0.264 141 G HA3 -0.267 3.694 3.960 0.002 0.000 0.264 141 G C 0.230 175.094 174.900 -0.061 0.000 0.975 141 G CA 0.326 45.412 45.100 -0.022 0.000 0.642 141 G HN 0.720 nan 8.290 nan 0.000 0.536 142 T N 1.154 115.678 114.554 -0.051 0.000 2.918 142 T HA 0.543 4.894 4.350 0.002 0.000 0.302 142 T C 0.690 175.232 174.700 -0.264 0.000 1.045 142 T CA 0.359 62.342 62.100 -0.196 0.000 1.114 142 T CB 1.317 70.070 68.868 -0.191 0.000 0.965 142 T HN 0.346 nan 8.240 nan 0.000 0.540 143 I N 2.606 122.929 120.570 -0.412 0.000 2.474 143 I HA 0.493 4.665 4.170 0.002 0.000 0.294 143 I C -0.844 175.066 176.117 -0.345 0.000 1.005 143 I CA -0.824 60.338 61.300 -0.229 0.000 1.113 143 I CB 1.417 39.376 38.000 -0.069 0.000 1.289 143 I HN 0.483 nan 8.210 nan 0.000 0.436 144 F N 3.708 123.873 119.950 0.358 0.000 2.538 144 F HA 0.472 5.000 4.527 0.002 0.000 0.325 144 F C 0.255 176.194 175.800 0.232 0.000 1.066 144 F CA -0.784 57.358 58.000 0.235 0.000 0.946 144 F CB 1.381 40.373 39.000 -0.014 0.000 1.199 144 F HN 0.363 nan 8.300 nan 0.000 0.473 145 N N 2.417 121.173 118.700 0.092 0.000 2.549 145 N HA 0.291 5.033 4.740 0.002 0.000 0.281 145 N C -1.738 173.646 175.510 -0.210 0.000 1.084 145 N CA -0.312 52.677 53.050 -0.103 0.000 0.862 145 N CB 0.666 38.868 38.487 -0.475 0.000 1.333 145 N HN 0.373 nan 8.380 nan 0.000 0.523 146 F N 3.937 123.828 119.950 -0.099 0.000 2.384 146 F HA 0.423 4.952 4.527 0.002 0.000 0.338 146 F C 1.198 176.903 175.800 -0.158 0.000 1.103 146 F CA 0.157 58.021 58.000 -0.227 0.000 1.157 146 F CB 0.835 39.707 39.000 -0.214 0.000 1.167 146 F HN 0.428 nan 8.300 nan 0.000 0.529 147 H N -0.557 118.595 119.070 0.137 0.000 2.950 147 H HA 0.473 5.030 4.556 0.002 0.000 0.307 147 H C -1.330 174.126 175.328 0.215 0.000 1.403 147 H CA -1.336 54.785 56.048 0.121 0.000 1.145 147 H CB 0.443 30.247 29.762 0.069 0.000 1.844 147 H HN 0.541 nan 8.280 nan 0.000 0.515 148 V N -0.299 119.820 119.914 0.342 0.000 3.003 148 V HA 0.312 4.433 4.120 0.002 0.000 0.305 148 V C -0.594 175.760 176.094 0.434 0.000 1.078 148 V CA -0.453 62.032 62.300 0.309 0.000 1.083 148 V CB 0.727 32.663 31.823 0.188 0.000 1.039 148 V HN 0.730 nan 8.190 nan 0.000 0.481 149 Y N 4.027 124.446 120.300 0.199 0.000 2.338 149 Y HA 0.715 5.266 4.550 0.003 0.000 0.328 149 Y C -0.057 175.813 175.900 -0.051 0.000 0.965 149 Y CA -1.131 56.986 58.100 0.029 0.000 1.208 149 Y CB 0.991 39.594 38.460 0.239 0.000 1.132 149 Y HN 1.052 nan 8.280 nan 0.000 0.469 150 S N 4.705 120.284 115.700 -0.202 0.000 2.593 150 S HA 0.648 5.119 4.470 0.002 0.000 0.297 150 S C -0.153 174.226 174.600 -0.369 0.000 1.112 150 S CA -0.646 57.388 58.200 -0.277 0.000 1.043 150 S CB 2.901 66.007 63.200 -0.155 0.000 1.054 150 S HN 0.831 nan 8.310 nan 0.000 0.516 151 Q N 0.535 120.148 119.800 -0.311 0.000 2.160 151 Q HA 0.369 4.711 4.340 0.002 0.000 0.166 151 Q C 1.889 177.818 176.000 -0.118 0.000 0.592 151 Q CA -0.599 55.088 55.803 -0.194 0.000 0.711 151 Q CB 0.035 28.653 28.738 -0.201 0.000 1.157 151 Q HN 0.750 nan 8.270 nan 0.000 0.463 152 R N -0.065 120.374 120.500 -0.101 0.000 2.210 152 R HA 0.073 4.414 4.340 0.002 0.000 0.203 152 R C -0.061 176.195 176.300 -0.074 0.000 1.010 152 R CA 0.578 56.636 56.100 -0.071 0.000 1.008 152 R CB 0.655 30.922 30.300 -0.054 0.000 0.923 152 R HN 0.190 nan 8.270 nan 0.000 0.469 153 Q N -0.460 119.285 119.800 -0.092 0.000 2.365 153 Q HA 0.359 4.700 4.340 0.002 0.000 0.269 153 Q C -0.419 175.531 176.000 -0.084 0.000 1.061 153 Q CA -0.467 55.286 55.803 -0.084 0.000 0.816 153 Q CB 2.024 30.709 28.738 -0.088 0.000 1.325 153 Q HN 0.275 nan 8.270 nan 0.000 0.446 154 G N 0.205 108.965 108.800 -0.067 0.000 2.509 154 G HA2 0.191 4.152 3.960 0.002 0.000 0.269 154 G HA3 0.191 4.152 3.960 0.002 0.000 0.269 154 G C 0.271 175.155 174.900 -0.027 0.000 1.416 154 G CA -0.297 44.773 45.100 -0.050 0.000 1.052 154 G HN 0.546 nan 8.290 nan 0.000 0.542 155 F N 1.162 120.988 119.950 -0.206 0.000 2.069 155 F HA -0.061 4.468 4.527 0.003 0.000 0.298 155 F C 2.682 178.381 175.800 -0.169 0.000 1.113 155 F CA 2.153 60.008 58.000 -0.242 0.000 1.214 155 F CB -0.530 38.200 39.000 -0.450 0.000 0.978 155 F HN 0.302 nan 8.300 nan 0.000 0.474 156 A N -0.177 122.482 122.820 -0.269 0.000 1.969 156 A HA 0.032 4.354 4.320 0.002 0.000 0.218 156 A C 2.318 179.780 177.584 -0.203 0.000 1.169 156 A CA 1.504 53.367 52.037 -0.290 0.000 0.635 156 A CB -1.620 17.340 19.000 -0.066 0.000 0.810 156 A HN 0.530 nan 8.150 nan 0.000 0.445 157 G N -1.132 107.585 108.800 -0.140 0.000 3.088 157 G HA2 0.259 4.221 3.960 0.002 0.000 0.217 157 G HA3 0.259 4.221 3.960 0.002 0.000 0.217 157 G C 0.691 175.528 174.900 -0.107 0.000 1.159 157 G CA 0.690 45.729 45.100 -0.102 0.000 0.760 157 G HN 0.468 nan 8.290 nan 0.000 0.550 158 S N 0.326 115.945 115.700 -0.135 0.000 2.552 158 S HA 0.329 4.800 4.470 0.002 0.000 0.289 158 S C 0.646 175.187 174.600 -0.099 0.000 1.304 158 S CA -0.196 57.934 58.200 -0.116 0.000 1.063 158 S CB 0.540 63.672 63.200 -0.113 0.000 0.848 158 S HN 0.409 nan 8.310 nan 0.000 0.499 159 R N 3.329 123.781 120.500 -0.080 0.000 2.758 159 R HA 0.512 4.854 4.340 0.002 0.000 0.265 159 R C -2.504 173.770 176.300 -0.044 0.000 1.016 159 R CA -2.260 53.807 56.100 -0.054 0.000 1.040 159 R CB 0.587 30.860 30.300 -0.044 0.000 1.152 159 R HN 0.431 nan 8.270 nan 0.000 0.503 160 P HA 0.135 nan 4.420 nan 0.000 0.268 160 P C -0.440 176.851 177.300 -0.015 0.000 1.208 160 P CA 0.265 63.362 63.100 -0.005 0.000 0.777 160 P CB 0.591 32.294 31.700 0.005 0.000 0.875 161 G N 0.117 108.913 108.800 -0.007 0.000 2.406 161 G HA2 0.194 4.155 3.960 0.002 0.000 0.680 161 G HA3 0.194 4.155 3.960 0.002 0.000 0.680 161 G C -0.076 174.828 174.900 0.007 0.000 1.338 161 G CA -0.059 45.042 45.100 0.002 0.000 0.941 161 G HN 0.675 nan 8.290 nan 0.000 0.633 162 T N -2.504 112.088 114.554 0.063 0.000 3.209 162 T HA 0.375 4.726 4.350 0.002 0.000 0.295 162 T C 0.060 174.930 174.700 0.282 0.000 0.977 162 T CA 0.790 62.978 62.100 0.148 0.000 0.922 162 T CB 0.658 69.589 68.868 0.105 0.000 1.152 162 T HN 0.737 nan 8.240 nan 0.000 0.527 163 D N 2.815 123.349 120.400 0.223 0.000 2.339 163 D HA 0.270 4.912 4.640 0.002 0.000 0.256 163 D C -1.556 174.881 176.300 0.228 0.000 1.214 163 D CA -2.353 51.753 54.000 0.176 0.000 0.877 163 D CB 1.792 42.654 40.800 0.104 0.000 1.111 163 D HN -0.013 nan 8.370 nan 0.000 0.478 164 P HA -0.101 nan 4.420 nan 0.000 0.220 164 P C 0.601 177.886 177.300 -0.025 0.000 1.144 164 P CA 1.163 64.087 63.100 -0.294 0.000 0.800 164 P CB 0.215 31.828 31.700 -0.145 0.000 0.772 165 A N -1.280 121.575 122.820 0.059 0.000 2.178 165 A HA -0.015 4.306 4.320 0.002 0.000 0.211 165 A C 1.053 178.685 177.584 0.080 0.000 1.157 165 A CA 0.188 52.269 52.037 0.073 0.000 0.780 165 A CB -0.745 18.289 19.000 0.057 0.000 0.828 165 A HN 0.046 nan 8.150 nan 0.000 0.476 166 D N 0.743 121.213 120.400 0.117 0.000 2.338 166 D HA 0.159 4.801 4.640 0.002 0.000 0.255 166 D C -1.618 174.718 176.300 0.059 0.000 1.237 166 D CA -1.983 52.067 54.000 0.083 0.000 0.883 166 D CB 1.310 42.159 40.800 0.082 0.000 1.087 166 D HN 0.117 nan 8.370 nan 0.000 0.485 167 P HA -0.020 nan 4.420 nan 0.000 0.233 167 P C 0.366 177.624 177.300 -0.071 0.000 1.167 167 P CA 0.377 63.453 63.100 -0.041 0.000 0.770 167 P CB 0.494 32.178 31.700 -0.026 0.000 0.837 168 N N -0.366 118.299 118.700 -0.058 0.000 2.270 168 N HA 0.089 4.830 4.740 0.002 0.000 0.198 168 N C -0.110 175.337 175.510 -0.105 0.000 1.117 168 N CA 0.103 53.110 53.050 -0.072 0.000 0.845 168 N CB 0.916 39.374 38.487 -0.049 0.000 0.980 168 N HN 0.053 nan 8.380 nan 0.000 0.486 169 V N 1.803 121.626 119.914 -0.151 0.000 2.472 169 V HA 0.252 4.373 4.120 0.002 0.000 0.290 169 V C 0.007 175.913 176.094 -0.313 0.000 1.037 169 V CA -0.916 61.223 62.300 -0.269 0.000 0.908 169 V CB 2.200 33.745 31.823 -0.464 0.000 0.985 169 V HN 0.014 nan 8.190 nan 0.000 0.454 170 L N 5.470 126.556 121.223 -0.228 0.000 2.295 170 L HA 0.418 4.760 4.340 0.002 0.000 0.288 170 L C -0.035 176.748 176.870 -0.145 0.000 1.079 170 L CA 0.438 55.193 54.840 -0.141 0.000 0.830 170 L CB -0.117 41.932 42.059 -0.018 0.000 1.200 170 L HN 0.634 nan 8.230 nan 0.000 0.438 171 H N 3.163 122.236 119.070 0.005 0.000 2.505 171 H HA 0.631 5.188 4.556 0.002 0.000 0.351 171 H C -0.108 175.342 175.328 0.203 0.000 1.151 171 H CA 0.148 56.260 56.048 0.107 0.000 1.339 171 H CB 1.278 31.123 29.762 0.139 0.000 1.483 171 H HN 0.777 nan 8.280 nan 0.000 0.558 172 A N 3.296 126.330 122.820 0.356 0.000 2.260 172 A HA 0.296 4.617 4.320 0.002 0.000 0.312 172 A C -0.355 177.390 177.584 0.268 0.000 1.321 172 A CA -0.671 51.569 52.037 0.337 0.000 0.928 172 A CB -0.186 19.008 19.000 0.323 0.000 1.158 172 A HN 0.720 nan 8.150 nan 0.000 0.542 173 N N 0.121 118.937 118.700 0.193 0.000 2.472 173 N HA 0.628 5.370 4.740 0.002 0.000 0.289 173 N C -1.133 174.230 175.510 -0.244 0.000 1.156 173 N CA -0.387 52.674 53.050 0.019 0.000 0.940 173 N CB 2.019 40.551 38.487 0.076 0.000 1.200 173 N HN 0.413 nan 8.380 nan 0.000 0.511 174 V N 0.162 119.884 119.914 -0.320 0.000 2.686 174 V HA 0.821 4.942 4.120 0.002 0.000 0.306 174 V C -1.158 174.749 176.094 -0.311 0.000 1.065 174 V CA -0.652 61.321 62.300 -0.546 0.000 0.894 174 V CB 1.437 32.719 31.823 -0.901 0.000 1.004 174 V HN 0.790 nan 8.190 nan 0.000 0.424 175 A N 4.255 126.905 122.820 -0.282 0.000 2.306 175 A HA 0.871 5.192 4.320 0.002 0.000 0.314 175 A C 0.002 177.684 177.584 0.164 0.000 1.164 175 A CA -0.351 51.596 52.037 -0.149 0.000 0.822 175 A CB 1.187 19.996 19.000 -0.318 0.000 1.130 175 A HN 0.881 nan 8.150 nan 0.000 0.496 176 T N 1.295 115.990 114.554 0.235 0.000 2.861 176 T HA 0.591 4.942 4.350 0.002 0.000 0.287 176 T C -0.513 174.149 174.700 -0.064 0.000 1.003 176 T CA -0.327 61.838 62.100 0.108 0.000 0.977 176 T CB 1.387 70.301 68.868 0.077 0.000 0.996 176 T HN 0.718 nan 8.240 nan 0.000 0.448 177 S N 1.058 116.501 115.700 -0.428 0.000 2.594 177 S HA 0.504 4.976 4.470 0.002 0.000 0.296 177 S C 0.776 175.083 174.600 -0.488 0.000 1.124 177 S CA -0.614 57.154 58.200 -0.720 0.000 1.011 177 S CB 0.957 63.267 63.200 -1.483 0.000 1.016 177 S HN 0.835 nan 8.310 nan 0.000 0.485 178 T N 0.088 114.431 114.554 -0.351 0.000 3.134 178 T HA 0.229 4.580 4.350 0.002 0.000 0.260 178 T C 0.018 174.582 174.700 -0.226 0.000 1.027 178 T CA -0.000 61.953 62.100 -0.244 0.000 0.913 178 T CB -0.324 68.448 68.868 -0.160 0.000 1.046 178 T HN 0.606 nan 8.240 nan 0.000 0.553 179 D N 0.027 120.253 120.400 -0.289 0.000 2.720 179 D HA 0.346 4.987 4.640 0.002 0.000 0.285 179 D C 1.255 177.403 176.300 -0.253 0.000 1.359 179 D CA -0.413 53.447 54.000 -0.233 0.000 0.818 179 D CB -0.283 40.394 40.800 -0.205 0.000 1.108 179 D HN 0.323 nan 8.370 nan 0.000 0.474 180 G N -0.274 108.361 108.800 -0.275 0.000 2.147 180 G HA2 -0.004 3.958 3.960 0.002 0.000 0.244 180 G HA3 -0.004 3.958 3.960 0.002 0.000 0.244 180 G C 1.156 175.903 174.900 -0.255 0.000 1.005 180 G CA 0.324 45.287 45.100 -0.228 0.000 0.713 180 G HN 1.469 nan 8.290 nan 0.000 0.515 181 G N -1.468 107.057 108.800 -0.459 0.000 2.157 181 G HA2 -0.250 3.711 3.960 0.002 0.000 0.248 181 G HA3 -0.250 3.711 3.960 0.002 0.000 0.248 181 G C 1.260 175.973 174.900 -0.312 0.000 0.979 181 G CA 0.859 45.662 45.100 -0.494 0.000 0.650 181 G HN 1.222 nan 8.290 nan 0.000 0.529 182 L N 0.456 121.494 121.223 -0.309 0.000 2.027 182 L HA 0.157 4.498 4.340 0.002 0.000 0.206 182 L C 1.887 178.649 176.870 -0.180 0.000 1.074 182 L CA 1.942 56.679 54.840 -0.170 0.000 0.745 182 L CB -0.575 41.398 42.059 -0.143 0.000 0.898 182 L HN 0.630 nan 8.230 nan 0.000 0.433 183 T N -4.401 109.928 114.554 -0.374 0.000 2.906 183 T HA 0.504 4.856 4.350 0.002 0.000 0.295 183 T C -1.463 172.913 174.700 -0.541 0.000 1.075 183 T CA -0.696 61.247 62.100 -0.262 0.000 1.005 183 T CB 1.903 70.695 68.868 -0.127 0.000 1.136 183 T HN 0.064 nan 8.240 nan 0.000 0.498 184 W N 0.764 122.009 121.300 -0.091 0.000 3.022 184 W HA 0.625 5.286 4.660 0.002 0.000 0.335 184 W C -0.079 176.292 176.519 -0.247 0.000 1.133 184 W CA -0.707 56.514 57.345 -0.207 0.000 1.219 184 W CB 2.291 31.577 29.460 -0.291 0.000 1.409 184 W HN 0.994 nan 8.180 nan 0.000 0.507 185 S N 0.362 116.028 115.700 -0.058 0.000 2.681 185 S HA 0.730 5.201 4.470 0.002 0.000 0.299 185 S C -1.239 173.183 174.600 -0.297 0.000 1.113 185 S CA -0.895 57.267 58.200 -0.063 0.000 1.013 185 S CB 1.535 64.743 63.200 0.013 0.000 1.076 185 S HN 0.502 nan 8.310 nan 0.000 0.534 186 H N 0.121 119.211 119.070 0.035 0.000 2.600 186 H HA 0.749 5.306 4.556 0.002 0.000 0.357 186 H C -0.015 175.308 175.328 -0.008 0.000 1.106 186 H CA -0.803 55.235 56.048 -0.016 0.000 1.193 186 H CB 1.507 31.211 29.762 -0.097 0.000 1.594 186 H HN 0.772 nan 8.280 nan 0.000 0.526 187 R N 0.808 121.354 120.500 0.075 0.000 2.764 187 R HA 0.659 5.000 4.340 0.002 0.000 0.270 187 R C -1.447 174.884 176.300 0.053 0.000 1.014 187 R CA -0.991 55.147 56.100 0.064 0.000 0.904 187 R CB 1.360 31.706 30.300 0.075 0.000 1.236 187 R HN 0.454 nan 8.270 nan 0.000 0.466 188 T N 2.144 116.740 114.554 0.070 0.000 2.758 188 T HA 0.352 4.704 4.350 0.002 0.000 0.285 188 T C 0.837 175.599 174.700 0.104 0.000 0.981 188 T CA -0.724 61.437 62.100 0.101 0.000 0.965 188 T CB 0.701 69.611 68.868 0.070 0.000 0.927 188 T HN 0.651 nan 8.240 nan 0.000 0.448 189 I N -0.163 120.478 120.570 0.118 0.000 4.081 189 I HA 0.212 4.383 4.170 0.002 0.000 0.333 189 I C 1.615 177.797 176.117 0.108 0.000 1.413 189 I CA -0.414 60.949 61.300 0.106 0.000 1.110 189 I CB -0.205 37.838 38.000 0.071 0.000 1.082 189 I HN 0.393 nan 8.210 nan 0.000 0.402 190 T N 1.966 116.623 114.554 0.172 0.000 2.653 190 T HA -0.247 4.104 4.350 0.002 0.000 0.268 190 T C 2.112 176.878 174.700 0.110 0.000 1.035 190 T CA 2.242 64.445 62.100 0.172 0.000 1.154 190 T CB -0.315 68.754 68.868 0.334 0.000 0.862 190 T HN 0.607 nan 8.240 nan 0.000 0.441 191 A N 1.752 124.641 122.820 0.115 0.000 2.070 191 A HA -0.124 4.197 4.320 0.002 0.000 0.220 191 A C 1.978 179.582 177.584 0.034 0.000 1.159 191 A CA 1.493 53.569 52.037 0.066 0.000 0.656 191 A CB -0.435 18.606 19.000 0.068 0.000 0.800 191 A HN 0.393 nan 8.150 nan 0.000 0.453 192 D N -0.304 120.124 120.400 0.047 0.000 2.317 192 D HA -0.007 4.634 4.640 0.002 0.000 0.211 192 D C 1.346 177.644 176.300 -0.004 0.000 0.966 192 D CA 1.236 55.255 54.000 0.032 0.000 0.876 192 D CB -0.053 40.798 40.800 0.085 0.000 0.927 192 D HN 0.768 nan 8.370 nan 0.000 0.519 193 I N -2.685 117.878 120.570 -0.011 0.000 3.833 193 I HA 0.262 4.433 4.170 0.002 0.000 0.328 193 I C -0.456 175.679 176.117 0.029 0.000 1.554 193 I CA -0.205 61.071 61.300 -0.039 0.000 1.116 193 I CB 0.622 38.527 38.000 -0.159 0.000 1.182 193 I HN -0.381 nan 8.210 nan 0.000 0.459 194 T N 3.314 117.855 114.554 -0.020 0.000 3.390 194 T HA 0.356 4.707 4.350 0.002 0.000 0.351 194 T C -1.704 172.829 174.700 -0.279 0.000 1.759 194 T CA -0.714 61.341 62.100 -0.075 0.000 1.561 194 T CB 0.777 69.655 68.868 0.016 0.000 1.011 194 T HN 0.201 nan 8.240 nan 0.000 0.689 195 P HA 0.087 nan 4.420 nan 0.000 0.229 195 P C 0.082 177.090 177.300 -0.487 0.000 1.160 195 P CA 0.640 63.505 63.100 -0.393 0.000 0.777 195 P CB 0.365 31.864 31.700 -0.335 0.000 0.814 196 D N 0.608 120.503 120.400 -0.842 0.000 2.349 196 D HA 0.141 4.782 4.640 0.002 0.000 0.232 196 D C -1.627 174.386 176.300 -0.478 0.000 1.071 196 D CA -2.447 51.126 54.000 -0.712 0.000 0.832 196 D CB 1.894 42.002 40.800 -1.153 0.000 1.086 196 D HN -0.048 nan 8.370 nan 0.000 0.504 197 P HA -0.004 nan 4.420 nan 0.000 0.228 197 P C 1.150 178.427 177.300 -0.039 0.000 1.151 197 P CA 0.342 63.376 63.100 -0.110 0.000 0.770 197 P CB 0.275 31.932 31.700 -0.072 0.000 0.786 198 G N -1.351 107.430 108.800 -0.031 0.000 2.650 198 G HA2 -0.121 3.841 3.960 0.002 0.000 0.214 198 G HA3 -0.121 3.841 3.960 0.002 0.000 0.214 198 G C -0.043 175.010 174.900 0.256 0.000 1.136 198 G CA -0.226 44.930 45.100 0.094 0.000 0.789 198 G HN 0.157 nan 8.290 nan 0.000 0.536 199 W N 1.793 123.093 121.300 -0.000 0.000 2.585 199 W HA 0.427 5.088 4.660 0.001 0.000 0.337 199 W C 1.395 177.904 176.519 -0.017 0.000 1.226 199 W CA -1.537 55.808 57.345 0.000 0.000 1.463 199 W CB 0.035 29.498 29.460 0.004 0.000 1.458 199 W HN 0.253 nan 8.180 nan 0.000 0.458 200 R N 0.833 121.435 120.500 0.169 0.000 2.334 200 R HA 0.326 4.667 4.340 0.002 0.000 0.216 200 R C 0.250 176.552 176.300 0.002 0.000 0.905 200 R CA 0.069 56.203 56.100 0.057 0.000 1.064 200 R CB 0.580 30.890 30.300 0.015 0.000 1.046 200 R HN 0.136 nan 8.270 nan 0.000 0.508 201 S N 0.148 115.864 115.700 0.026 0.000 2.552 201 S HA 0.509 4.980 4.470 0.002 0.000 0.272 201 S C -1.939 172.767 174.600 0.177 0.000 1.150 201 S CA -1.010 57.206 58.200 0.027 0.000 0.849 201 S CB 1.321 64.407 63.200 -0.190 0.000 1.113 201 S HN 0.474 nan 8.310 nan 0.000 0.458 202 R N 1.467 122.156 120.500 0.315 0.000 2.692 202 R HA 0.662 5.004 4.340 0.002 0.000 0.269 202 R C -1.833 174.783 176.300 0.527 0.000 1.030 202 R CA -0.842 55.505 56.100 0.411 0.000 0.882 202 R CB 0.618 31.102 30.300 0.306 0.000 1.250 202 R HN 0.767 nan 8.270 nan 0.000 0.465 203 F N -1.223 118.770 119.950 0.071 0.000 2.628 203 F HA 0.782 5.310 4.527 0.002 0.000 0.309 203 F C -0.853 174.683 175.800 -0.440 0.000 1.108 203 F CA -1.272 56.667 58.000 -0.102 0.000 0.971 203 F CB 1.790 40.652 39.000 -0.230 0.000 1.279 203 F HN 0.806 nan 8.300 nan 0.000 0.441 204 A N 2.328 124.633 122.820 -0.857 0.000 2.520 204 A HA 0.541 4.862 4.320 0.002 0.000 0.245 204 A C 0.402 177.511 177.584 -0.791 0.000 1.072 204 A CA 0.062 51.317 52.037 -1.303 0.000 0.761 204 A CB -0.307 18.115 19.000 -0.964 0.000 1.004 204 A HN 1.529 nan 8.150 nan 0.000 0.499 205 A N 3.694 126.047 122.820 -0.778 0.000 2.444 205 A HA 0.491 4.812 4.320 0.002 0.000 0.273 205 A C 0.971 178.380 177.584 -0.291 0.000 1.136 205 A CA 0.247 51.957 52.037 -0.546 0.000 0.799 205 A CB -0.562 18.160 19.000 -0.462 0.000 1.081 205 A HN 1.714 nan 8.150 nan 0.000 0.509 206 S N 2.450 118.068 115.700 -0.136 0.000 2.562 206 S HA 0.643 5.114 4.470 0.002 0.000 0.281 206 S C 0.876 175.463 174.600 -0.023 0.000 1.333 206 S CA 0.136 58.324 58.200 -0.020 0.000 1.052 206 S CB 1.105 64.373 63.200 0.114 0.000 0.884 206 S HN 2.315 nan 8.310 nan 0.000 0.506 207 G N 1.416 110.228 108.800 0.020 0.000 1.930 207 G HA2 0.135 4.096 3.960 0.002 0.000 0.054 207 G HA3 0.135 4.096 3.960 0.002 0.000 0.054 207 G C -1.108 173.857 174.900 0.109 0.000 0.902 207 G CA -0.162 44.972 45.100 0.057 0.000 1.168 207 G HN 0.963 nan 8.290 nan 0.000 0.383 208 E N -0.174 120.085 120.200 0.098 0.000 2.321 208 E HA 0.536 4.887 4.350 0.002 0.000 0.281 208 E C 0.104 176.770 176.600 0.110 0.000 0.910 208 E CA -0.148 56.346 56.400 0.157 0.000 0.770 208 E CB 1.397 31.208 29.700 0.186 0.000 1.225 208 E HN 0.901 nan 8.360 nan 0.000 0.417 209 G N 3.014 111.897 108.800 0.139 0.000 2.537 209 G HA2 0.671 4.632 3.960 0.002 0.000 0.297 209 G HA3 0.671 4.632 3.960 0.002 0.000 0.297 209 G C -0.088 174.903 174.900 0.151 0.000 1.310 209 G CA -0.565 44.601 45.100 0.110 0.000 1.027 209 G HN 0.575 nan 8.290 nan 0.000 0.505 210 I N -3.527 117.129 120.570 0.143 0.000 3.145 210 I HA 0.697 4.868 4.170 0.002 0.000 0.313 210 I C -1.073 175.133 176.117 0.147 0.000 1.122 210 I CA -1.180 60.200 61.300 0.133 0.000 0.987 210 I CB 2.528 40.584 38.000 0.094 0.000 1.236 210 I HN 0.474 nan 8.210 nan 0.000 0.453 211 Q N 3.260 123.131 119.800 0.118 0.000 2.325 211 Q HA 0.525 4.866 4.340 0.002 0.000 0.270 211 Q C -1.589 174.435 176.000 0.039 0.000 1.020 211 Q CA -0.777 55.086 55.803 0.100 0.000 0.785 211 Q CB 2.023 30.836 28.738 0.124 0.000 1.259 211 Q HN 0.736 nan 8.270 nan 0.000 0.452 212 L N 4.121 125.359 121.223 0.025 0.000 2.490 212 L HA 0.108 4.449 4.340 0.002 0.000 0.274 212 L C 1.212 178.061 176.870 -0.035 0.000 1.201 212 L CA 0.066 54.894 54.840 -0.019 0.000 0.869 212 L CB 0.324 42.395 42.059 0.021 0.000 1.123 212 L HN 0.692 nan 8.230 nan 0.000 0.484 213 R N 2.088 122.497 120.500 -0.153 0.000 2.282 213 R HA 0.153 4.495 4.340 0.002 0.000 0.195 213 R C -0.556 175.776 176.300 0.054 0.000 0.909 213 R CA 0.309 56.340 56.100 -0.115 0.000 1.039 213 R CB 0.236 30.390 30.300 -0.244 0.000 1.015 213 R HN 0.394 nan 8.270 nan 0.000 0.513 214 Y N 0.177 120.504 120.300 0.045 0.000 2.587 214 Y HA 0.601 5.153 4.550 0.002 0.000 0.337 214 Y C 1.142 177.047 175.900 0.009 0.000 1.065 214 Y CA -1.115 57.001 58.100 0.027 0.000 1.126 214 Y CB 0.803 39.279 38.460 0.027 0.000 1.279 214 Y HN 0.304 nan 8.280 nan 0.000 0.489 215 G N 1.088 109.977 108.800 0.148 0.000 2.725 215 G HA2 -0.172 3.789 3.960 0.002 0.000 0.220 215 G HA3 -0.172 3.789 3.960 0.002 0.000 0.220 215 G C -2.066 172.797 174.900 -0.061 0.000 1.357 215 G CA -0.557 44.560 45.100 0.030 0.000 0.866 215 G HN 0.506 nan 8.290 nan 0.000 0.548 216 P HA 0.010 nan 4.420 nan 0.000 0.225 216 P C 0.762 177.810 177.300 -0.419 0.000 1.148 216 P CA 1.602 64.492 63.100 -0.349 0.000 0.779 216 P CB -0.062 31.346 31.700 -0.486 0.000 0.780 217 H N -1.289 117.787 119.070 0.010 0.000 2.528 217 H HA 0.458 5.016 4.556 0.002 0.000 0.282 217 H C 0.652 175.980 175.328 0.002 0.000 1.097 217 H CA -0.858 55.187 56.048 -0.006 0.000 1.121 217 H CB -0.167 29.571 29.762 -0.040 0.000 1.590 217 H HN 0.048 nan 8.280 nan 0.000 0.553 218 A N 0.737 123.600 122.820 0.073 0.000 2.603 218 A HA 0.302 4.623 4.320 0.002 0.000 0.235 218 A C 1.647 179.268 177.584 0.060 0.000 1.035 218 A CA 1.315 53.396 52.037 0.073 0.000 0.755 218 A CB -0.334 18.715 19.000 0.082 0.000 0.954 218 A HN 0.689 nan 8.150 nan 0.000 0.511 219 G N 1.067 109.897 108.800 0.049 0.000 2.217 219 G HA2 -0.263 3.698 3.960 0.002 0.000 0.246 219 G HA3 -0.263 3.698 3.960 0.002 0.000 0.246 219 G C 0.535 175.401 174.900 -0.056 0.000 0.990 219 G CA 0.494 45.609 45.100 0.025 0.000 0.627 219 G HN 1.146 nan 8.290 nan 0.000 0.522 220 R N 0.782 121.273 120.500 -0.016 0.000 2.522 220 R HA 0.432 4.773 4.340 0.002 0.000 0.284 220 R C 0.180 176.500 176.300 0.034 0.000 1.032 220 R CA -0.118 55.973 56.100 -0.014 0.000 1.049 220 R CB 0.001 30.309 30.300 0.013 0.000 0.956 220 R HN 0.300 nan 8.270 nan 0.000 0.422 221 L N 6.642 127.892 121.223 0.045 0.000 2.275 221 L HA 0.438 4.780 4.340 0.002 0.000 0.288 221 L C -0.187 176.858 176.870 0.291 0.000 1.046 221 L CA -0.544 54.403 54.840 0.180 0.000 0.805 221 L CB 1.294 43.478 42.059 0.208 0.000 1.193 221 L HN 0.574 nan 8.230 nan 0.000 0.426 222 I N 3.332 124.055 120.570 0.255 0.000 2.439 222 I HA 0.305 4.476 4.170 0.002 0.000 0.285 222 I C -0.663 175.530 176.117 0.128 0.000 1.021 222 I CA -0.544 60.889 61.300 0.221 0.000 1.091 222 I CB 2.051 40.136 38.000 0.143 0.000 1.242 222 I HN 0.507 nan 8.210 nan 0.000 0.439 223 Q N 5.542 125.365 119.800 0.039 0.000 2.330 223 Q HA 0.382 4.723 4.340 0.002 0.000 0.269 223 Q C -1.161 174.773 176.000 -0.110 0.000 1.022 223 Q CA -0.616 55.060 55.803 -0.211 0.000 0.796 223 Q CB 1.627 29.872 28.738 -0.822 0.000 1.271 223 Q HN 0.368 nan 8.270 nan 0.000 0.450 224 Q N 2.360 122.060 119.800 -0.166 0.000 2.299 224 Q HA 0.353 4.695 4.340 0.002 0.000 0.246 224 Q C -1.018 174.803 176.000 -0.298 0.000 0.935 224 Q CA 0.169 55.891 55.803 -0.134 0.000 0.887 224 Q CB 0.789 29.422 28.738 -0.175 0.000 1.223 224 Q HN 0.650 nan 8.270 nan 0.000 0.439 225 Y N -0.822 119.304 120.300 -0.290 0.000 2.570 225 Y HA 0.404 4.955 4.550 0.002 0.000 0.345 225 Y C 0.088 175.755 175.900 -0.388 0.000 1.014 225 Y CA -0.677 57.209 58.100 -0.357 0.000 1.063 225 Y CB 2.109 40.423 38.460 -0.244 0.000 1.272 225 Y HN 0.338 nan 8.280 nan 0.000 0.477 226 T N 3.987 118.313 114.554 -0.380 0.000 2.824 226 T HA 0.670 5.021 4.350 0.002 0.000 0.280 226 T C -0.746 173.919 174.700 -0.057 0.000 0.995 226 T CA -0.465 61.476 62.100 -0.265 0.000 1.009 226 T CB 0.531 69.157 68.868 -0.402 0.000 0.955 226 T HN 0.460 nan 8.240 nan 0.000 0.452 227 I N -0.211 120.288 120.570 -0.118 0.000 2.846 227 I HA 0.716 4.888 4.170 0.002 0.000 0.307 227 I C -1.033 175.012 176.117 -0.120 0.000 1.053 227 I CA -1.179 60.033 61.300 -0.147 0.000 1.050 227 I CB 1.427 39.064 38.000 -0.605 0.000 1.239 227 I HN 0.538 nan 8.210 nan 0.000 0.439 228 I N 4.110 124.607 120.570 -0.122 0.000 2.362 228 I HA 0.374 4.545 4.170 0.002 0.000 0.289 228 I C -0.478 175.626 176.117 -0.022 0.000 0.994 228 I CA -0.618 60.624 61.300 -0.098 0.000 1.158 228 I CB 1.133 38.986 38.000 -0.245 0.000 1.315 228 I HN 0.831 nan 8.210 nan 0.000 0.451 229 N N 5.365 124.086 118.700 0.036 0.000 2.495 229 N HA 0.342 5.083 4.740 0.002 0.000 0.294 229 N C 0.815 176.407 175.510 0.136 0.000 1.276 229 N CA -0.473 52.666 53.050 0.148 0.000 0.973 229 N CB 0.526 39.115 38.487 0.170 0.000 1.143 229 N HN 0.532 nan 8.380 nan 0.000 0.589 230 A N -1.167 121.746 122.820 0.155 0.000 2.014 230 A HA 0.179 4.500 4.320 0.002 0.000 0.218 230 A C 1.863 179.491 177.584 0.074 0.000 1.163 230 A CA 1.440 53.537 52.037 0.101 0.000 0.652 230 A CB -1.275 17.780 19.000 0.092 0.000 0.808 230 A HN 0.831 nan 8.150 nan 0.000 0.449 231 A N -1.666 121.201 122.820 0.078 0.000 2.238 231 A HA 0.414 4.735 4.320 0.002 0.000 0.208 231 A C 1.754 179.371 177.584 0.055 0.000 1.177 231 A CA 1.134 53.206 52.037 0.058 0.000 0.804 231 A CB -0.944 18.089 19.000 0.054 0.000 0.823 231 A HN 1.784 nan 8.150 nan 0.000 0.482 232 G N -1.950 106.893 108.800 0.073 0.000 2.179 232 G HA2 0.045 4.007 3.960 0.002 0.000 0.260 232 G HA3 0.045 4.007 3.960 0.002 0.000 0.260 232 G C 0.465 175.451 174.900 0.143 0.000 0.977 232 G CA 0.317 45.471 45.100 0.089 0.000 0.641 232 G HN 1.615 nan 8.290 nan 0.000 0.533 233 A N 0.126 123.024 122.820 0.130 0.000 2.425 233 A HA 0.661 4.983 4.320 0.002 0.000 0.249 233 A C -0.056 177.734 177.584 0.343 0.000 1.084 233 A CA -0.117 52.011 52.037 0.153 0.000 0.781 233 A CB 0.201 19.255 19.000 0.089 0.000 1.019 233 A HN 0.569 nan 8.150 nan 0.000 0.490 234 F N 1.257 121.219 119.950 0.019 0.000 2.411 234 F HA 0.391 4.919 4.527 0.002 0.000 0.355 234 F C 0.863 176.660 175.800 -0.005 0.000 1.117 234 F CA -0.383 57.648 58.000 0.051 0.000 1.139 234 F CB 0.976 40.049 39.000 0.122 0.000 1.120 234 F HN 0.585 nan 8.300 nan 0.000 0.493 235 Q N 1.426 121.277 119.800 0.084 0.000 2.433 235 Q HA 0.806 5.147 4.340 0.002 0.000 0.279 235 Q C -0.882 175.055 176.000 -0.106 0.000 1.105 235 Q CA -1.331 54.453 55.803 -0.032 0.000 0.815 235 Q CB 2.901 31.570 28.738 -0.115 0.000 1.403 235 Q HN 0.679 nan 8.270 nan 0.000 0.435 236 A N 0.996 123.748 122.820 -0.113 0.000 2.304 236 A HA 0.758 5.080 4.320 0.002 0.000 0.301 236 A C -0.907 176.583 177.584 -0.156 0.000 1.132 236 A CA -0.466 51.476 52.037 -0.158 0.000 0.819 236 A CB 1.293 20.181 19.000 -0.186 0.000 1.094 236 A HN 0.409 nan 8.150 nan 0.000 0.492 237 V N 1.221 121.060 119.914 -0.126 0.000 3.077 237 V HA 0.547 4.668 4.120 0.002 0.000 0.299 237 V C -0.429 175.703 176.094 0.063 0.000 1.276 237 V CA -0.457 61.830 62.300 -0.021 0.000 0.993 237 V CB 2.589 34.374 31.823 -0.063 0.000 1.076 237 V HN 0.975 nan 8.190 nan 0.000 0.434 238 S N 3.364 119.172 115.700 0.179 0.000 2.475 238 S HA 0.644 5.115 4.470 0.002 0.000 0.281 238 S C -0.513 174.252 174.600 0.274 0.000 1.198 238 S CA -0.348 57.995 58.200 0.239 0.000 1.063 238 S CB 1.379 64.770 63.200 0.318 0.000 0.972 238 S HN 0.627 nan 8.310 nan 0.000 0.486 239 V N 5.449 125.504 119.914 0.234 0.000 2.435 239 V HA 0.605 4.726 4.120 0.002 0.000 0.290 239 V C -0.762 175.556 176.094 0.373 0.000 1.030 239 V CA -0.473 61.927 62.300 0.166 0.000 0.881 239 V CB 0.562 32.345 31.823 -0.067 0.000 0.983 239 V HN 0.886 nan 8.190 nan 0.000 0.445 240 Y N 2.050 122.505 120.300 0.259 0.000 2.655 240 Y HA 0.841 5.392 4.550 0.002 0.000 0.336 240 Y C -0.537 175.386 175.900 0.038 0.000 1.154 240 Y CA -1.121 57.123 58.100 0.240 0.000 1.055 240 Y CB 1.969 40.468 38.460 0.066 0.000 1.295 240 Y HN 0.436 nan 8.280 nan 0.000 0.465 241 S N 0.143 115.767 115.700 -0.128 0.000 2.575 241 S HA 0.380 4.851 4.470 0.002 0.000 0.278 241 S C -1.204 173.231 174.600 -0.274 0.000 1.139 241 S CA -0.642 57.219 58.200 -0.564 0.000 0.954 241 S CB 1.234 63.505 63.200 -1.548 0.000 1.054 241 S HN 0.780 nan 8.310 nan 0.000 0.483 242 D N 2.336 122.618 120.400 -0.196 0.000 2.395 242 D HA 0.141 4.782 4.640 0.002 0.000 0.213 242 D C -0.250 175.915 176.300 -0.225 0.000 1.110 242 D CA 0.223 54.132 54.000 -0.152 0.000 0.835 242 D CB 0.490 41.287 40.800 -0.006 0.000 0.965 242 D HN 0.739 nan 8.370 nan 0.000 0.505 243 D N -0.753 119.490 120.400 -0.262 0.000 2.891 243 D HA -0.001 4.640 4.640 0.002 0.000 0.332 243 D C 0.100 176.381 176.300 -0.032 0.000 1.369 243 D CA -0.622 53.320 54.000 -0.096 0.000 0.827 243 D CB -0.650 40.125 40.800 -0.042 0.000 1.141 243 D HN 0.012 nan 8.370 nan 0.000 0.464 244 H N 0.091 119.104 119.070 -0.095 0.000 2.820 244 H HA -0.154 4.403 4.556 0.002 0.000 0.295 244 H C 1.337 176.696 175.328 0.052 0.000 1.187 244 H CA 1.168 57.220 56.048 0.006 0.000 1.144 244 H CB -1.525 28.275 29.762 0.064 0.000 1.354 244 H HN 0.707 nan 8.280 nan 0.000 0.395 245 G N -0.351 108.298 108.800 -0.251 0.000 2.175 245 G HA2 -0.382 3.579 3.960 0.002 0.000 0.244 245 G HA3 -0.382 3.579 3.960 0.002 0.000 0.244 245 G C 1.028 175.884 174.900 -0.072 0.000 0.982 245 G CA 0.843 45.737 45.100 -0.343 0.000 0.641 245 G HN 0.572 nan 8.290 nan 0.000 0.527 246 R N 0.784 121.235 120.500 -0.081 0.000 2.066 246 R HA 0.121 4.462 4.340 0.002 0.000 0.232 246 R C 1.464 177.724 176.300 -0.067 0.000 1.131 246 R CA 2.115 58.219 56.100 0.007 0.000 0.955 246 R CB -0.131 30.176 30.300 0.012 0.000 0.851 246 R HN 0.670 nan 8.270 nan 0.000 0.432 247 T N -2.695 111.694 114.554 -0.274 0.000 2.876 247 T HA 0.493 4.844 4.350 0.002 0.000 0.289 247 T C -1.212 173.186 174.700 -0.502 0.000 1.014 247 T CA -0.877 61.088 62.100 -0.225 0.000 0.986 247 T CB 1.325 70.116 68.868 -0.128 0.000 1.021 247 T HN 0.206 nan 8.240 nan 0.000 0.458 248 W N 1.841 123.102 121.300 -0.065 0.000 2.844 248 W HA 0.753 5.414 4.660 0.002 0.000 0.340 248 W C 0.233 176.641 176.519 -0.184 0.000 1.093 248 W CA -0.881 56.397 57.345 -0.112 0.000 1.212 248 W CB 2.028 31.470 29.460 -0.031 0.000 1.422 248 W HN 1.085 nan 8.180 nan 0.000 0.515 249 R N 1.031 121.467 120.500 -0.106 0.000 2.781 249 R HA 0.963 5.305 4.340 0.002 0.000 0.269 249 R C -1.342 174.771 176.300 -0.310 0.000 1.025 249 R CA -1.205 54.752 56.100 -0.237 0.000 0.914 249 R CB 1.240 31.329 30.300 -0.350 0.000 1.236 249 R HN 0.455 nan 8.270 nan 0.000 0.465 250 A N 0.582 123.291 122.820 -0.185 0.000 2.312 250 A HA 0.717 5.039 4.320 0.002 0.000 0.328 250 A C 0.191 177.751 177.584 -0.039 0.000 1.158 250 A CA -0.161 51.852 52.037 -0.039 0.000 0.821 250 A CB 1.155 20.245 19.000 0.151 0.000 1.170 250 A HN 0.873 nan 8.150 nan 0.000 0.490 251 G N 0.013 108.880 108.800 0.112 0.000 2.666 251 G HA2 0.497 4.459 3.960 0.002 0.000 0.207 251 G HA3 0.497 4.459 3.960 0.002 0.000 0.207 251 G C -0.341 174.591 174.900 0.053 0.000 1.481 251 G CA -0.512 44.545 45.100 -0.072 0.000 1.071 251 G HN 0.761 nan 8.290 nan 0.000 0.572 252 E N 0.131 120.384 120.200 0.088 0.000 2.175 252 E HA 0.496 4.847 4.350 0.002 0.000 0.278 252 E C -0.148 176.607 176.600 0.258 0.000 0.969 252 E CA -0.622 55.920 56.400 0.237 0.000 0.796 252 E CB 1.829 31.688 29.700 0.264 0.000 1.104 252 E HN 0.504 nan 8.360 nan 0.000 0.395 253 A N 2.552 125.535 122.820 0.271 0.000 2.445 253 A HA 0.342 4.663 4.320 0.002 0.000 0.242 253 A C -0.263 177.391 177.584 0.117 0.000 1.075 253 A CA -0.370 51.736 52.037 0.114 0.000 0.777 253 A CB 0.861 19.882 19.000 0.034 0.000 1.013 253 A HN 0.385 nan 8.150 nan 0.000 0.493 254 V N 1.601 121.542 119.914 0.046 0.000 2.808 254 V HA 0.736 4.857 4.120 0.002 0.000 0.308 254 V C 0.164 176.265 176.094 0.012 0.000 1.099 254 V CA 1.038 63.375 62.300 0.062 0.000 0.920 254 V CB 1.242 33.125 31.823 0.100 0.000 1.014 254 V HN 2.756 nan 8.190 nan 0.000 0.425 255 G N 3.968 112.789 108.800 0.035 0.000 2.746 255 G HA2 0.276 4.237 3.960 0.002 0.000 0.685 255 G HA3 0.276 4.237 3.960 0.002 0.000 0.685 255 G C -0.771 174.149 174.900 0.033 0.000 1.350 255 G CA 0.099 45.215 45.100 0.026 0.000 0.837 255 G HN 2.098 nan 8.290 nan 0.000 0.564 256 V N -2.430 117.504 119.914 0.034 0.000 3.126 256 V HA 0.981 5.102 4.120 0.002 0.000 0.314 256 V C 1.526 177.639 176.094 0.031 0.000 1.138 256 V CA 0.302 62.626 62.300 0.040 0.000 1.034 256 V CB 1.164 33.004 31.823 0.029 0.000 1.075 256 V HN 3.091 nan 8.190 nan 0.000 0.442 257 G N 1.251 110.064 108.800 0.022 0.000 2.225 257 G HA2 -0.169 3.792 3.960 0.002 0.000 0.267 257 G HA3 -0.169 3.792 3.960 0.002 0.000 0.267 257 G C -0.003 174.933 174.900 0.059 0.000 1.024 257 G CA 0.827 45.928 45.100 0.002 0.000 0.784 257 G HN 0.769 nan 8.290 nan 0.000 0.507 258 M N -0.746 118.926 119.600 0.119 0.000 2.336 258 M HA 0.719 5.201 4.480 0.002 0.000 0.256 258 M C 0.577 177.004 176.300 0.211 0.000 1.176 258 M CA -0.484 54.880 55.300 0.108 0.000 0.948 258 M CB 0.779 33.409 32.600 0.049 0.000 1.393 258 M HN 0.264 nan 8.290 nan 0.000 0.528 259 D N -1.006 119.456 120.400 0.103 0.000 3.522 259 D HA 0.092 4.733 4.640 0.002 0.000 0.363 259 D C -1.356 174.880 176.300 -0.106 0.000 1.509 259 D CA -0.441 53.616 54.000 0.094 0.000 0.907 259 D CB 0.654 41.564 40.800 0.184 0.000 1.485 259 D HN 0.545 nan 8.370 nan 0.000 0.560 260 E N 0.955 121.056 120.200 -0.164 0.000 2.652 260 E HA 0.079 4.430 4.350 0.002 0.000 0.255 260 E C 0.013 176.484 176.600 -0.215 0.000 0.952 260 E CA 0.720 56.938 56.400 -0.302 0.000 0.947 260 E CB 0.057 29.613 29.700 -0.239 0.000 0.912 260 E HN 0.258 nan 8.360 nan 0.000 0.489 261 N N 2.172 120.728 118.700 -0.239 0.000 2.416 261 N HA 0.408 5.149 4.740 0.002 0.000 0.276 261 N C -1.181 174.239 175.510 -0.149 0.000 1.261 261 N CA -0.990 51.962 53.050 -0.163 0.000 0.790 261 N CB 1.679 40.068 38.487 -0.164 0.000 1.554 261 N HN 0.036 nan 8.380 nan 0.000 0.481 262 K N 0.596 120.947 120.400 -0.082 0.000 2.426 262 K HA 0.538 4.859 4.320 0.002 0.000 0.251 262 K C -0.658 175.944 176.600 0.003 0.000 0.941 262 K CA -0.408 55.855 56.287 -0.040 0.000 0.808 262 K CB 2.095 34.594 32.500 -0.001 0.000 1.265 262 K HN 0.851 nan 8.250 nan 0.000 0.432 263 T N -2.356 112.217 114.554 0.031 0.000 2.908 263 T HA 0.720 5.071 4.350 0.002 0.000 0.290 263 T C -0.603 174.155 174.700 0.096 0.000 1.034 263 T CA -0.932 61.216 62.100 0.080 0.000 1.010 263 T CB 1.784 70.720 68.868 0.113 0.000 1.068 263 T HN 0.258 nan 8.240 nan 0.000 0.481 264 V N 0.596 120.578 119.914 0.113 0.000 2.851 264 V HA 0.505 4.627 4.120 0.002 0.000 0.307 264 V C -1.104 175.049 176.094 0.099 0.000 1.129 264 V CA -0.825 61.539 62.300 0.106 0.000 0.932 264 V CB 1.978 33.878 31.823 0.128 0.000 1.024 264 V HN 1.126 nan 8.190 nan 0.000 0.426 265 E N 5.297 125.537 120.200 0.066 0.000 2.194 265 E HA 0.449 4.800 4.350 0.002 0.000 0.284 265 E C -0.656 175.998 176.600 0.090 0.000 1.035 265 E CA -0.400 56.032 56.400 0.052 0.000 0.836 265 E CB 0.925 30.593 29.700 -0.052 0.000 1.070 265 E HN 0.647 nan 8.360 nan 0.000 0.401 266 L N 2.528 123.830 121.223 0.132 0.000 2.479 266 L HA 0.104 4.446 4.340 0.002 0.000 0.249 266 L C 1.947 178.966 176.870 0.248 0.000 1.178 266 L CA -0.246 54.684 54.840 0.149 0.000 0.811 266 L CB 0.745 42.869 42.059 0.109 0.000 1.187 266 L HN 0.667 nan 8.230 nan 0.000 0.480 267 S N -0.635 115.186 115.700 0.201 0.000 2.440 267 S HA -0.174 4.297 4.470 0.002 0.000 0.238 267 S C 0.858 175.514 174.600 0.092 0.000 1.010 267 S CA 1.262 59.584 58.200 0.202 0.000 0.972 267 S CB -0.475 62.783 63.200 0.097 0.000 0.774 267 S HN 0.842 nan 8.310 nan 0.000 0.501 268 D N -0.670 119.786 120.400 0.093 0.000 2.440 268 D HA 0.317 4.958 4.640 0.002 0.000 0.216 268 D C 1.279 177.634 176.300 0.092 0.000 1.150 268 D CA 0.299 54.310 54.000 0.020 0.000 0.832 268 D CB -0.390 40.417 40.800 0.012 0.000 0.992 268 D HN 0.518 nan 8.370 nan 0.000 0.502 269 G N 0.815 109.777 108.800 0.269 0.000 2.179 269 G HA2 -0.340 3.621 3.960 0.002 0.000 0.260 269 G HA3 -0.340 3.621 3.960 0.002 0.000 0.260 269 G C 0.345 175.334 174.900 0.149 0.000 0.977 269 G CA -0.068 45.204 45.100 0.287 0.000 0.641 269 G HN 0.440 nan 8.290 nan 0.000 0.533 270 R N -0.458 120.108 120.500 0.111 0.000 2.641 270 R HA 0.457 4.798 4.340 0.002 0.000 0.269 270 R C -0.034 176.319 176.300 0.088 0.000 1.074 270 R CA -0.167 55.977 56.100 0.074 0.000 1.133 270 R CB 1.171 31.507 30.300 0.061 0.000 1.029 270 R HN 0.079 nan 8.270 nan 0.000 0.488 271 V N 4.653 124.612 119.914 0.074 0.000 2.334 271 V HA 0.137 4.258 4.120 0.002 0.000 0.281 271 V C -0.484 175.735 176.094 0.208 0.000 1.016 271 V CA -0.730 61.643 62.300 0.121 0.000 0.832 271 V CB 1.233 33.112 31.823 0.094 0.000 0.999 271 V HN 0.438 nan 8.190 nan 0.000 0.439 272 L N 6.584 127.914 121.223 0.180 0.000 2.319 272 L HA 0.518 4.859 4.340 0.002 0.000 0.280 272 L C -0.514 176.459 176.870 0.171 0.000 1.099 272 L CA 0.273 55.220 54.840 0.178 0.000 0.828 272 L CB 1.009 43.152 42.059 0.140 0.000 1.150 272 L HN 0.642 nan 8.230 nan 0.000 0.442 273 L N 6.192 127.492 121.223 0.129 0.000 2.295 273 L HA 0.519 4.860 4.340 0.002 0.000 0.285 273 L C -0.771 176.091 176.870 -0.014 0.000 1.035 273 L CA -0.217 54.604 54.840 -0.031 0.000 0.806 273 L CB 0.887 42.734 42.059 -0.353 0.000 1.214 273 L HN 0.756 nan 8.230 nan 0.000 0.426 274 N N 3.245 121.945 118.700 -0.001 0.000 2.399 274 N HA 0.322 5.063 4.740 0.002 0.000 0.284 274 N C -1.863 173.649 175.510 0.002 0.000 1.025 274 N CA -0.151 52.914 53.050 0.025 0.000 0.885 274 N CB 2.064 40.609 38.487 0.096 0.000 1.339 274 N HN 0.582 nan 8.380 nan 0.000 0.487 275 S N 2.123 117.816 115.700 -0.011 0.000 2.513 275 S HA 0.421 4.892 4.470 0.002 0.000 0.299 275 S C -0.341 174.259 174.600 -0.001 0.000 1.087 275 S CA -0.809 57.374 58.200 -0.029 0.000 1.012 275 S CB 1.425 64.596 63.200 -0.049 0.000 1.044 275 S HN 0.653 nan 8.310 nan 0.000 0.485 276 R N 1.984 122.476 120.500 -0.014 0.000 2.623 276 R HA 0.111 4.452 4.340 0.002 0.000 0.271 276 R C -0.979 175.339 176.300 0.031 0.000 1.043 276 R CA 0.045 56.148 56.100 0.006 0.000 1.083 276 R CB 0.326 30.618 30.300 -0.014 0.000 0.974 276 R HN 0.559 nan 8.270 nan 0.000 0.436 277 D N 2.087 122.511 120.400 0.039 0.000 2.454 277 D HA 0.054 4.696 4.640 0.002 0.000 0.225 277 D C 0.603 176.931 176.300 0.047 0.000 1.081 277 D CA -0.308 53.718 54.000 0.044 0.000 0.864 277 D CB 1.362 42.188 40.800 0.043 0.000 1.040 277 D HN 0.574 nan 8.370 nan 0.000 0.517 278 S N 2.272 118.011 115.700 0.066 0.000 2.547 278 S HA -0.051 4.420 4.470 0.002 0.000 0.235 278 S C 1.577 176.153 174.600 -0.040 0.000 0.980 278 S CA 0.491 58.717 58.200 0.044 0.000 0.941 278 S CB 0.056 63.312 63.200 0.094 0.000 0.763 278 S HN 0.383 nan 8.310 nan 0.000 0.532 279 A N 1.363 124.167 122.820 -0.027 0.000 2.275 279 A HA 0.394 4.715 4.320 0.002 0.000 0.212 279 A C 0.849 178.429 177.584 -0.007 0.000 1.201 279 A CA -0.393 51.624 52.037 -0.033 0.000 0.843 279 A CB -0.422 18.562 19.000 -0.027 0.000 0.873 279 A HN 0.480 nan 8.150 nan 0.000 0.492 280 R N -0.527 119.975 120.500 0.005 0.000 3.332 280 R HA -0.159 4.182 4.340 0.002 0.000 0.263 280 R C 1.083 177.389 176.300 0.010 0.000 1.053 280 R CA 0.582 56.683 56.100 0.002 0.000 0.705 280 R CB -2.775 27.522 30.300 -0.006 0.000 1.166 280 R HN 0.769 nan 8.270 nan 0.000 0.427 281 S N -0.813 114.910 115.700 0.039 0.000 2.442 281 S HA -0.006 4.466 4.470 0.002 0.000 0.236 281 S C 1.624 176.254 174.600 0.049 0.000 1.007 281 S CA 0.929 59.185 58.200 0.093 0.000 0.965 281 S CB 0.362 63.666 63.200 0.174 0.000 0.773 281 S HN 1.135 nan 8.310 nan 0.000 0.504 282 G N -0.526 108.222 108.800 -0.087 0.000 2.157 282 G HA2 -0.202 3.759 3.960 0.002 0.000 0.239 282 G HA3 -0.202 3.759 3.960 0.002 0.000 0.239 282 G C -0.165 174.341 174.900 -0.657 0.000 0.982 282 G CA 0.310 45.194 45.100 -0.360 0.000 0.650 282 G HN 0.588 nan 8.290 nan 0.000 0.527 283 Y N -0.957 119.330 120.300 -0.021 0.000 2.615 283 Y HA 0.761 5.312 4.550 0.002 0.000 0.341 283 Y C 0.515 176.398 175.900 -0.029 0.000 1.089 283 Y CA -1.462 56.618 58.100 -0.033 0.000 1.049 283 Y CB 0.809 39.245 38.460 -0.040 0.000 1.296 283 Y HN 0.013 nan 8.280 nan 0.000 0.470 284 R N 1.329 121.907 120.500 0.129 0.000 2.641 284 R HA 0.310 4.651 4.340 0.002 0.000 0.269 284 R C -0.793 175.534 176.300 0.044 0.000 1.074 284 R CA -0.459 55.674 56.100 0.054 0.000 1.133 284 R CB 0.394 30.679 30.300 -0.024 0.000 1.029 284 R HN 0.649 nan 8.270 nan 0.000 0.488 285 K N 0.674 121.089 120.400 0.024 0.000 2.123 285 K HA 0.493 4.814 4.320 0.002 0.000 0.259 285 K C -0.370 176.228 176.600 -0.002 0.000 0.960 285 K CA -0.747 55.547 56.287 0.012 0.000 0.872 285 K CB 1.796 34.303 32.500 0.011 0.000 1.079 285 K HN 0.452 nan 8.250 nan 0.000 0.440 286 V N -1.867 118.048 119.914 0.002 0.000 3.078 286 V HA 0.992 5.113 4.120 0.002 0.000 0.311 286 V C -1.193 174.915 176.094 0.024 0.000 1.138 286 V CA -0.843 61.464 62.300 0.012 0.000 1.007 286 V CB 1.657 33.499 31.823 0.031 0.000 1.045 286 V HN 0.907 nan 8.190 nan 0.000 0.432 287 A N 1.313 124.161 122.820 0.047 0.000 2.586 287 A HA 0.921 5.242 4.320 0.002 0.000 0.290 287 A C -1.533 176.168 177.584 0.195 0.000 1.086 287 A CA -0.161 51.937 52.037 0.103 0.000 0.665 287 A CB 1.735 20.786 19.000 0.085 0.000 1.279 287 A HN 2.174 nan 8.150 nan 0.000 0.423 288 V N 0.031 120.098 119.914 0.255 0.000 2.925 288 V HA 0.813 4.935 4.120 0.002 0.000 0.311 288 V C -0.343 175.855 176.094 0.173 0.000 1.104 288 V CA 0.012 62.462 62.300 0.249 0.000 0.954 288 V CB 2.223 34.122 31.823 0.127 0.000 1.022 288 V HN 1.487 nan 8.190 nan 0.000 0.427 289 S N 2.127 117.823 115.700 -0.006 0.000 2.472 289 S HA 0.533 5.004 4.470 0.002 0.000 0.303 289 S C 0.707 175.234 174.600 -0.121 0.000 1.099 289 S CA 0.196 58.212 58.200 -0.307 0.000 1.077 289 S CB 1.595 64.353 63.200 -0.737 0.000 1.031 289 S HN 1.103 nan 8.310 nan 0.000 0.487 290 T N -0.129 114.368 114.554 -0.096 0.000 3.054 290 T HA 0.184 4.535 4.350 0.002 0.000 0.255 290 T C 0.098 174.781 174.700 -0.028 0.000 1.035 290 T CA 0.046 62.123 62.100 -0.039 0.000 0.941 290 T CB -0.266 68.590 68.868 -0.020 0.000 1.026 290 T HN 0.630 nan 8.240 nan 0.000 0.533 291 D N 0.634 120.992 120.400 -0.070 0.000 2.772 291 D HA 0.372 5.013 4.640 0.002 0.000 0.272 291 D C 1.285 177.540 176.300 -0.074 0.000 1.314 291 D CA -0.460 53.528 54.000 -0.019 0.000 0.835 291 D CB -0.340 40.422 40.800 -0.062 0.000 1.080 291 D HN 0.362 nan 8.370 nan 0.000 0.482 292 G N -0.387 108.383 108.800 -0.050 0.000 2.147 292 G HA2 -0.027 3.934 3.960 0.002 0.000 0.244 292 G HA3 -0.027 3.934 3.960 0.002 0.000 0.244 292 G C 1.122 175.872 174.900 -0.251 0.000 1.005 292 G CA 0.258 45.314 45.100 -0.073 0.000 0.713 292 G HN 1.459 nan 8.290 nan 0.000 0.515 293 G N -1.618 107.002 108.800 -0.299 0.000 2.176 293 G HA2 -0.277 3.684 3.960 0.002 0.000 0.232 293 G HA3 -0.277 3.684 3.960 0.002 0.000 0.232 293 G C 0.864 175.581 174.900 -0.304 0.000 0.986 293 G CA 1.398 46.308 45.100 -0.317 0.000 0.643 293 G HN 1.320 nan 8.290 nan 0.000 0.522 294 H N 1.463 120.280 119.070 -0.421 0.000 2.353 294 H HA 0.088 4.645 4.556 0.002 0.000 0.300 294 H C 1.361 176.643 175.328 -0.077 0.000 1.090 294 H CA 2.557 58.477 56.048 -0.213 0.000 1.327 294 H CB 0.089 29.740 29.762 -0.185 0.000 1.383 294 H HN 0.893 nan 8.280 nan 0.000 0.508 295 S N -1.563 114.121 115.700 -0.026 0.000 2.579 295 S HA 0.551 5.023 4.470 0.002 0.000 0.272 295 S C -1.628 172.772 174.600 -0.334 0.000 1.141 295 S CA -0.955 57.248 58.200 0.004 0.000 0.843 295 S CB 2.198 65.487 63.200 0.148 0.000 1.122 295 S HN 0.173 nan 8.310 nan 0.000 0.468 296 Y N -0.170 120.178 120.300 0.080 0.000 2.536 296 Y HA 0.733 5.284 4.550 0.002 0.000 0.347 296 Y C 1.054 176.984 175.900 0.052 0.000 1.000 296 Y CA -0.409 57.724 58.100 0.056 0.000 1.051 296 Y CB 1.974 40.462 38.460 0.046 0.000 1.259 296 Y HN 1.081 nan 8.280 nan 0.000 0.468 297 G N 0.860 109.769 108.800 0.181 0.000 2.509 297 G HA2 0.451 4.412 3.960 0.002 0.000 0.269 297 G HA3 0.451 4.412 3.960 0.002 0.000 0.269 297 G C -2.634 172.336 174.900 0.117 0.000 1.416 297 G CA -1.470 43.699 45.100 0.115 0.000 1.052 297 G HN 0.361 nan 8.290 nan 0.000 0.542 298 P HA 0.226 nan 4.420 nan 0.000 0.267 298 P C -0.484 176.851 177.300 0.059 0.000 1.200 298 P CA -0.271 62.865 63.100 0.062 0.000 0.772 298 P CB 0.884 32.610 31.700 0.043 0.000 0.855 299 V N 3.105 123.045 119.914 0.044 0.000 2.407 299 V HA 0.447 4.568 4.120 0.002 0.000 0.278 299 V C 0.631 176.737 176.094 0.019 0.000 1.037 299 V CA -0.050 62.267 62.300 0.029 0.000 0.900 299 V CB 1.093 32.927 31.823 0.018 0.000 0.983 299 V HN 0.762 nan 8.190 nan 0.000 0.459 300 T N 2.192 116.754 114.554 0.013 0.000 2.907 300 T HA 0.745 5.096 4.350 0.002 0.000 0.290 300 T C -0.539 174.158 174.700 -0.005 0.000 1.066 300 T CA -0.789 61.312 62.100 0.001 0.000 1.012 300 T CB 1.679 70.545 68.868 -0.002 0.000 1.184 300 T HN 0.225 nan 8.240 nan 0.000 0.522 301 I N 2.029 122.587 120.570 -0.021 0.000 2.416 301 I HA 0.232 4.403 4.170 0.002 0.000 0.288 301 I C 0.053 176.125 176.117 -0.074 0.000 1.051 301 I CA -0.141 61.140 61.300 -0.032 0.000 1.375 301 I CB 0.638 38.610 38.000 -0.047 0.000 1.407 301 I HN 0.634 nan 8.210 nan 0.000 0.516 302 D N 6.686 127.054 120.400 -0.053 0.000 2.428 302 D HA 0.177 4.818 4.640 0.002 0.000 0.221 302 D C 0.929 177.150 176.300 -0.132 0.000 1.123 302 D CA -0.288 53.669 54.000 -0.072 0.000 0.869 302 D CB 0.701 41.478 40.800 -0.038 0.000 1.032 302 D HN 0.393 nan 8.370 nan 0.000 0.506 303 R N 1.949 122.280 120.500 -0.282 0.000 2.339 303 R HA -0.006 4.335 4.340 0.002 0.000 0.199 303 R C 0.486 176.710 176.300 -0.127 0.000 1.018 303 R CA 0.400 56.189 56.100 -0.519 0.000 1.036 303 R CB 0.461 30.382 30.300 -0.632 0.000 0.899 303 R HN 0.386 nan 8.270 nan 0.000 0.473 304 D N 0.380 120.753 120.400 -0.045 0.000 2.347 304 D HA -0.027 4.614 4.640 0.002 0.000 0.215 304 D C 0.336 176.599 176.300 -0.061 0.000 0.976 304 D CA 0.864 54.867 54.000 0.006 0.000 0.884 304 D CB 0.378 41.242 40.800 0.107 0.000 0.915 304 D HN 0.198 nan 8.370 nan 0.000 0.526 305 L N 2.590 123.781 121.223 -0.054 0.000 2.445 305 L HA 0.284 4.625 4.340 0.002 0.000 0.252 305 L C -2.454 174.460 176.870 0.073 0.000 1.105 305 L CA -1.733 53.017 54.840 -0.150 0.000 0.943 305 L CB 1.673 43.465 42.059 -0.445 0.000 1.277 305 L HN -0.309 nan 8.230 nan 0.000 0.465 306 P HA 0.118 nan 4.420 nan 0.000 0.269 306 P C -1.070 176.174 177.300 -0.094 0.000 1.215 306 P CA 0.135 63.149 63.100 -0.143 0.000 0.780 306 P CB 1.524 33.115 31.700 -0.181 0.000 0.898 307 D N 1.420 121.723 120.400 -0.162 0.000 2.836 307 D HA 0.230 4.871 4.640 0.002 0.000 0.215 307 D C -2.447 173.786 176.300 -0.112 0.000 1.255 307 D CA -1.470 52.484 54.000 -0.077 0.000 0.822 307 D CB 1.585 42.383 40.800 -0.003 0.000 1.656 307 D HN 0.098 nan 8.370 nan 0.000 0.511 308 P HA 0.209 nan 4.420 nan 0.000 0.259 308 P C -1.009 176.274 177.300 -0.028 0.000 1.530 308 P CA 0.056 63.115 63.100 -0.069 0.000 1.022 308 P CB 0.205 31.870 31.700 -0.057 0.000 1.514 309 T N -0.794 113.751 114.554 -0.015 0.000 3.142 309 T HA -0.123 4.229 4.350 0.002 0.000 0.443 309 T C -0.536 174.189 174.700 0.042 0.000 0.773 309 T CA 0.371 62.481 62.100 0.017 0.000 2.337 309 T CB -2.047 66.836 68.868 0.024 0.000 1.699 309 T HN 0.519 nan 8.240 nan 0.000 0.675 310 N N 0.884 119.593 118.700 0.016 0.000 3.265 310 N HA 0.438 5.179 4.740 0.002 0.000 0.235 310 N C -1.115 174.296 175.510 -0.165 0.000 1.343 310 N CA -0.684 52.369 53.050 0.006 0.000 0.904 310 N CB 1.067 39.577 38.487 0.038 0.000 1.492 310 N HN 0.244 nan 8.380 nan 0.000 0.504 311 N N 0.390 118.804 118.700 -0.477 0.000 2.347 311 N HA 0.800 5.541 4.740 0.002 0.000 0.253 311 N C -1.178 174.120 175.510 -0.354 0.000 1.274 311 N CA 0.371 53.056 53.050 -0.609 0.000 0.941 311 N CB 0.989 38.685 38.487 -1.317 0.000 1.200 311 N HN 0.726 nan 8.380 nan 0.000 0.514 312 A N -0.672 121.969 122.820 -0.297 0.000 2.567 312 A HA 0.548 4.869 4.320 0.002 0.000 0.291 312 A C -1.306 176.126 177.584 -0.254 0.000 1.048 312 A CA -0.544 51.309 52.037 -0.308 0.000 0.661 312 A CB 0.250 19.078 19.000 -0.287 0.000 1.288 312 A HN 0.759 nan 8.150 nan 0.000 0.424 313 S N -0.149 115.351 115.700 -0.334 0.000 2.569 313 S HA 0.855 5.327 4.470 0.002 0.000 0.280 313 S C -0.876 173.674 174.600 -0.082 0.000 1.111 313 S CA -0.557 57.559 58.200 -0.141 0.000 0.887 313 S CB 1.663 64.822 63.200 -0.068 0.000 1.095 313 S HN 1.654 nan 8.310 nan 0.000 0.476 314 I N 2.312 122.944 120.570 0.104 0.000 2.534 314 I HA 0.650 4.821 4.170 0.002 0.000 0.288 314 I C -1.546 174.672 176.117 0.170 0.000 1.077 314 I CA -1.278 60.164 61.300 0.238 0.000 1.051 314 I CB 1.372 39.598 38.000 0.377 0.000 1.234 314 I HN 0.955 nan 8.210 nan 0.000 0.425 315 I N 4.004 124.673 120.570 0.164 0.000 2.969 315 I HA 0.580 4.751 4.170 0.002 0.000 0.307 315 I C -0.735 175.450 176.117 0.114 0.000 1.149 315 I CA -1.097 60.279 61.300 0.126 0.000 1.008 315 I CB 1.837 39.901 38.000 0.107 0.000 1.232 315 I HN 0.413 nan 8.210 nan 0.000 0.435 316 R N 2.720 123.278 120.500 0.097 0.000 2.522 316 R HA 0.202 4.543 4.340 0.002 0.000 0.284 316 R C 0.868 177.186 176.300 0.031 0.000 1.032 316 R CA 0.567 56.715 56.100 0.079 0.000 1.049 316 R CB 1.138 31.493 30.300 0.092 0.000 0.956 316 R HN 0.967 nan 8.270 nan 0.000 0.422 317 A N 3.616 126.384 122.820 -0.087 0.000 1.968 317 A HA -0.021 4.300 4.320 0.002 0.000 0.217 317 A C 0.273 177.546 177.584 -0.518 0.000 1.169 317 A CA 0.974 52.792 52.037 -0.364 0.000 0.638 317 A CB 0.131 18.737 19.000 -0.657 0.000 0.812 317 A HN 0.530 nan 8.150 nan 0.000 0.446 318 F N -0.526 119.530 119.950 0.178 0.000 2.660 318 F HA 0.332 4.860 4.527 0.002 0.000 0.352 318 F C -1.901 173.966 175.800 0.112 0.000 1.257 318 F CA -2.379 55.706 58.000 0.141 0.000 1.200 318 F CB 1.438 40.512 39.000 0.123 0.000 1.473 318 F HN 0.031 nan 8.300 nan 0.000 0.561 319 P HA -0.068 nan 4.420 nan 0.000 0.229 319 P C 0.403 177.768 177.300 0.109 0.000 1.160 319 P CA 1.139 64.312 63.100 0.122 0.000 0.777 319 P CB 0.508 32.261 31.700 0.089 0.000 0.814 320 D N -0.025 120.462 120.400 0.145 0.000 2.350 320 D HA 0.112 4.753 4.640 0.002 0.000 0.213 320 D C 1.024 177.417 176.300 0.154 0.000 1.031 320 D CA 0.104 54.179 54.000 0.126 0.000 0.861 320 D CB -0.138 40.726 40.800 0.107 0.000 0.926 320 D HN 0.107 nan 8.370 nan 0.000 0.520 321 A N 2.337 125.274 122.820 0.195 0.000 2.531 321 A HA 0.259 4.580 4.320 0.002 0.000 0.236 321 A C -2.123 175.596 177.584 0.225 0.000 1.062 321 A CA -0.687 51.458 52.037 0.181 0.000 0.760 321 A CB -0.205 18.915 19.000 0.199 0.000 0.995 321 A HN -0.073 nan 8.150 nan 0.000 0.501 322 P HA 0.292 nan 4.420 nan 0.000 0.269 322 P C 0.045 177.375 177.300 0.049 0.000 1.209 322 P CA 0.275 63.446 63.100 0.118 0.000 0.776 322 P CB 0.501 32.223 31.700 0.036 0.000 0.876 323 A N 2.595 125.280 122.820 -0.225 0.000 2.555 323 A HA 0.368 4.690 4.320 0.002 0.000 0.233 323 A C 1.639 179.077 177.584 -0.243 0.000 1.060 323 A CA 0.819 52.488 52.037 -0.613 0.000 0.759 323 A CB -1.418 16.938 19.000 -1.074 0.000 0.995 323 A HN 0.911 nan 8.150 nan 0.000 0.506 324 G N 0.825 109.524 108.800 -0.168 0.000 2.189 324 G HA2 -0.216 3.746 3.960 0.002 0.000 0.267 324 G HA3 -0.216 3.746 3.960 0.002 0.000 0.267 324 G C 0.627 175.508 174.900 -0.031 0.000 0.975 324 G CA 1.224 46.276 45.100 -0.080 0.000 0.644 324 G HN 2.252 nan 8.290 nan 0.000 0.537 325 S N -0.184 115.513 115.700 -0.006 0.000 2.610 325 S HA 0.769 5.241 4.470 0.002 0.000 0.273 325 S C 1.699 176.316 174.600 0.029 0.000 1.274 325 S CA 0.412 58.617 58.200 0.009 0.000 1.023 325 S CB 1.861 65.072 63.200 0.018 0.000 0.962 325 S HN 1.669 nan 8.310 nan 0.000 0.523 326 A N 2.568 125.397 122.820 0.015 0.000 1.892 326 A HA -0.167 4.155 4.320 0.002 0.000 0.218 326 A C 2.320 179.941 177.584 0.061 0.000 1.188 326 A CA 1.707 53.758 52.037 0.025 0.000 0.631 326 A CB -0.841 18.162 19.000 0.005 0.000 0.822 326 A HN 0.935 nan 8.150 nan 0.000 0.447 327 R N -0.716 119.807 120.500 0.038 0.000 2.152 327 R HA -0.024 4.317 4.340 0.002 0.000 0.232 327 R C 2.180 178.654 176.300 0.289 0.000 1.117 327 R CA 1.014 57.176 56.100 0.103 0.000 0.981 327 R CB -0.377 29.822 30.300 -0.169 0.000 0.870 327 R HN 0.518 nan 8.270 nan 0.000 0.451 328 A N 1.031 123.972 122.820 0.200 0.000 2.167 328 A HA -0.061 4.260 4.320 0.002 0.000 0.214 328 A C 1.357 179.055 177.584 0.190 0.000 1.151 328 A CA 0.798 52.975 52.037 0.234 0.000 0.735 328 A CB 0.015 19.159 19.000 0.240 0.000 0.802 328 A HN 0.172 nan 8.150 nan 0.000 0.467 329 K N -0.218 120.269 120.400 0.144 0.000 2.404 329 K HA 0.192 4.513 4.320 0.002 0.000 0.194 329 K C -0.455 176.186 176.600 0.067 0.000 1.023 329 K CA 0.006 56.344 56.287 0.084 0.000 1.094 329 K CB 0.510 33.035 32.500 0.043 0.000 0.841 329 K HN 0.246 nan 8.250 nan 0.000 0.523 330 V N 3.239 123.238 119.914 0.142 0.000 2.406 330 V HA 0.219 4.341 4.120 0.002 0.000 0.272 330 V C -0.062 176.067 176.094 0.058 0.000 1.043 330 V CA -0.384 61.983 62.300 0.112 0.000 0.915 330 V CB 0.654 32.622 31.823 0.243 0.000 0.988 330 V HN 0.130 nan 8.190 nan 0.000 0.466 331 L N 6.052 127.285 121.223 0.016 0.000 2.334 331 L HA 0.675 5.017 4.340 0.002 0.000 0.273 331 L C -0.597 176.396 176.870 0.205 0.000 1.013 331 L CA -0.624 54.276 54.840 0.100 0.000 0.816 331 L CB 1.884 44.028 42.059 0.142 0.000 1.278 331 L HN 0.396 nan 8.230 nan 0.000 0.431 332 L N 1.968 123.320 121.223 0.215 0.000 2.346 332 L HA 0.581 4.922 4.340 0.002 0.000 0.274 332 L C -1.061 176.020 176.870 0.353 0.000 1.007 332 L CA -0.423 54.571 54.840 0.257 0.000 0.818 332 L CB 2.095 44.166 42.059 0.021 0.000 1.284 332 L HN 0.383 nan 8.230 nan 0.000 0.424 333 F N 1.718 121.739 119.950 0.118 0.000 2.556 333 F HA 0.639 5.167 4.527 0.002 0.000 0.314 333 F C -0.478 175.299 175.800 -0.040 0.000 1.106 333 F CA -0.406 57.567 58.000 -0.045 0.000 0.911 333 F CB 2.082 40.842 39.000 -0.400 0.000 1.190 333 F HN 0.420 nan 8.300 nan 0.000 0.448 334 S N 5.999 121.267 115.700 -0.720 0.000 2.561 334 S HA 0.795 5.266 4.470 0.002 0.000 0.303 334 S C -1.346 172.782 174.600 -0.786 0.000 1.110 334 S CA -0.526 57.372 58.200 -0.502 0.000 1.034 334 S CB 1.630 64.690 63.200 -0.233 0.000 1.010 334 S HN 1.001 nan 8.310 nan 0.000 0.482 335 N N 1.098 119.529 118.700 -0.449 0.000 3.179 335 N HA 0.433 5.174 4.740 0.002 0.000 0.250 335 N C -1.405 174.033 175.510 -0.120 0.000 1.507 335 N CA -0.649 52.230 53.050 -0.285 0.000 0.883 335 N CB 1.041 39.340 38.487 -0.314 0.000 1.435 335 N HN 0.859 nan 8.380 nan 0.000 0.532 336 A N -0.135 122.628 122.820 -0.095 0.000 2.395 336 A HA 0.618 4.940 4.320 0.002 0.000 0.286 336 A C 1.149 178.681 177.584 -0.086 0.000 1.193 336 A CA 0.146 52.120 52.037 -0.105 0.000 0.852 336 A CB -0.572 18.388 19.000 -0.067 0.000 1.118 336 A HN 0.952 nan 8.150 nan 0.000 0.524 337 A N 2.635 125.391 122.820 -0.107 0.000 2.167 337 A HA 0.231 4.552 4.320 0.002 0.000 0.214 337 A C 1.547 179.070 177.584 -0.101 0.000 1.151 337 A CA 0.978 52.966 52.037 -0.082 0.000 0.735 337 A CB -0.332 18.621 19.000 -0.078 0.000 0.802 337 A HN 1.005 nan 8.150 nan 0.000 0.467 338 S N -0.606 115.029 115.700 -0.108 0.000 2.576 338 S HA 0.148 4.619 4.470 0.002 0.000 0.276 338 S C 0.816 175.342 174.600 -0.123 0.000 1.339 338 S CA -0.191 57.944 58.200 -0.109 0.000 1.039 338 S CB 0.650 63.792 63.200 -0.096 0.000 0.902 338 S HN 0.545 nan 8.310 nan 0.000 0.516 339 Q N 1.513 121.226 119.800 -0.146 0.000 2.408 339 Q HA 0.045 4.386 4.340 0.002 0.000 0.205 339 Q C 1.525 177.452 176.000 -0.123 0.000 0.919 339 Q CA 0.965 56.662 55.803 -0.177 0.000 0.932 339 Q CB 0.155 28.739 28.738 -0.256 0.000 1.058 339 Q HN 0.955 nan 8.270 nan 0.000 0.517 340 T N -3.078 111.418 114.554 -0.097 0.000 3.023 340 T HA 0.163 4.514 4.350 0.002 0.000 0.253 340 T C 0.598 175.263 174.700 -0.058 0.000 1.038 340 T CA 0.223 62.279 62.100 -0.074 0.000 0.962 340 T CB 0.559 69.385 68.868 -0.071 0.000 1.018 340 T HN 0.123 nan 8.240 nan 0.000 0.521 341 S N 0.368 116.033 115.700 -0.059 0.000 2.567 341 S HA 0.495 4.967 4.470 0.002 0.000 0.270 341 S C -1.344 173.230 174.600 -0.043 0.000 1.152 341 S CA -1.209 56.964 58.200 -0.045 0.000 0.835 341 S CB 1.279 64.452 63.200 -0.045 0.000 1.115 341 S HN 0.254 nan 8.310 nan 0.000 0.459 342 R N 2.157 122.643 120.500 -0.024 0.000 2.878 342 R HA 0.462 4.803 4.340 0.002 0.000 0.239 342 R C 0.001 176.279 176.300 -0.035 0.000 1.515 342 R CA 0.189 56.281 56.100 -0.014 0.000 1.210 342 R CB -0.294 30.022 30.300 0.026 0.000 1.209 342 R HN 0.810 nan 8.270 nan 0.000 0.610 343 S N -0.341 115.315 115.700 -0.073 0.000 2.643 343 S HA 0.181 4.652 4.470 0.002 0.000 0.270 343 S C -0.341 174.163 174.600 -0.160 0.000 1.166 343 S CA -1.080 57.056 58.200 -0.107 0.000 0.815 343 S CB 1.707 64.856 63.200 -0.085 0.000 1.139 343 S HN 0.520 nan 8.310 nan 0.000 0.472 344 Q N -0.241 119.434 119.800 -0.208 0.000 2.470 344 Q HA -0.134 4.208 4.340 0.002 0.000 0.294 344 Q C 0.354 176.137 176.000 -0.362 0.000 1.356 344 Q CA 0.379 56.033 55.803 -0.249 0.000 0.805 344 Q CB -1.837 26.800 28.738 -0.168 0.000 1.157 344 Q HN 1.344 nan 8.270 nan 0.000 0.431 345 G N 1.360 109.795 108.800 -0.608 0.000 2.202 345 G HA2 0.213 4.174 3.960 0.002 0.000 0.251 345 G HA3 0.213 4.174 3.960 0.002 0.000 0.251 345 G C -0.178 174.093 174.900 -1.049 0.000 1.219 345 G CA 0.763 45.210 45.100 -1.088 0.000 0.943 345 G HN 0.206 nan 8.290 nan 0.000 0.465 346 T N 3.196 117.546 114.554 -0.340 0.000 2.886 346 T HA 0.398 4.749 4.350 0.002 0.000 0.292 346 T C -0.214 174.616 174.700 0.216 0.000 1.012 346 T CA -0.531 61.562 62.100 -0.011 0.000 0.982 346 T CB 1.474 70.308 68.868 -0.057 0.000 1.018 346 T HN 0.270 nan 8.240 nan 0.000 0.451 347 I N 3.408 124.118 120.570 0.233 0.000 2.331 347 I HA 0.456 4.627 4.170 0.002 0.000 0.292 347 I C 0.585 176.776 176.117 0.123 0.000 0.998 347 I CA -0.532 60.846 61.300 0.129 0.000 1.267 347 I CB 1.047 39.062 38.000 0.026 0.000 1.386 347 I HN 0.477 nan 8.210 nan 0.000 0.476 348 R N 5.679 126.287 120.500 0.180 0.000 2.778 348 R HA 0.747 5.088 4.340 0.002 0.000 0.277 348 R C -0.691 175.866 176.300 0.428 0.000 0.977 348 R CA -0.899 55.353 56.100 0.253 0.000 0.950 348 R CB 2.923 33.314 30.300 0.152 0.000 1.165 348 R HN 0.562 nan 8.270 nan 0.000 0.474 349 M N 0.996 120.880 119.600 0.473 0.000 2.327 349 M HA 0.349 4.830 4.480 0.002 0.000 0.298 349 M C -1.339 175.102 176.300 0.235 0.000 1.065 349 M CA -0.329 55.195 55.300 0.374 0.000 0.916 349 M CB 2.291 35.004 32.600 0.188 0.000 1.630 349 M HN 0.549 nan 8.290 nan 0.000 0.442 350 S N 2.621 118.235 115.700 -0.143 0.000 2.503 350 S HA 0.558 5.030 4.470 0.002 0.000 0.301 350 S C -0.149 174.311 174.600 -0.233 0.000 1.087 350 S CA -0.769 57.106 58.200 -0.543 0.000 1.042 350 S CB 1.114 63.485 63.200 -1.381 0.000 1.043 350 S HN 0.940 nan 8.310 nan 0.000 0.489 351 c N 2.514 121.017 118.600 -0.162 0.000 3.000 351 c HA 0.371 4.942 4.570 0.002 0.000 0.286 351 c C 0.338 174.388 174.090 -0.067 0.000 1.343 351 c CA -0.587 55.710 56.329 -0.052 0.000 1.742 351 c CB -1.656 40.860 42.510 0.009 0.000 2.200 351 c HN 0.902 nan 8.230 nan 0.000 0.621 352 D N -1.234 119.079 120.400 -0.145 0.000 2.945 352 D HA 0.152 4.793 4.640 0.002 0.000 0.366 352 D C -0.171 176.051 176.300 -0.131 0.000 1.352 352 D CA -0.268 53.663 54.000 -0.114 0.000 0.810 352 D CB -0.643 40.094 40.800 -0.105 0.000 1.170 352 D HN -0.009 nan 8.370 nan 0.000 0.461 353 D N 0.247 120.578 120.400 -0.115 0.000 2.870 353 D HA -0.124 4.517 4.640 0.002 0.000 0.228 353 D C 1.290 177.511 176.300 -0.132 0.000 1.147 353 D CA 1.584 55.540 54.000 -0.073 0.000 0.757 353 D CB -1.362 39.428 40.800 -0.017 0.000 1.091 353 D HN 0.785 nan 8.370 nan 0.000 0.429 354 G N -0.489 108.110 108.800 -0.335 0.000 2.143 354 G HA2 -0.416 3.546 3.960 0.002 0.000 0.249 354 G HA3 -0.416 3.546 3.960 0.002 0.000 0.249 354 G C 0.990 175.681 174.900 -0.348 0.000 0.981 354 G CA 0.884 45.706 45.100 -0.463 0.000 0.665 354 G HN 0.500 nan 8.290 nan 0.000 0.528 355 Q N -0.261 119.366 119.800 -0.289 0.000 2.046 355 Q HA 0.107 4.448 4.340 0.002 0.000 0.200 355 Q C 1.596 177.479 176.000 -0.195 0.000 0.975 355 Q CA 1.643 57.346 55.803 -0.167 0.000 0.836 355 Q CB 0.034 28.706 28.738 -0.110 0.000 0.896 355 Q HN 0.828 nan 8.270 nan 0.000 0.428 356 T N -3.813 110.535 114.554 -0.344 0.000 2.906 356 T HA 0.498 4.849 4.350 0.002 0.000 0.295 356 T C -1.557 172.815 174.700 -0.546 0.000 1.075 356 T CA -0.865 61.081 62.100 -0.258 0.000 1.005 356 T CB 1.067 69.864 68.868 -0.119 0.000 1.136 356 T HN 0.242 nan 8.240 nan 0.000 0.498 357 W N 1.967 123.249 121.300 -0.031 0.000 2.104 357 W HA 0.370 5.031 4.660 0.002 0.000 0.291 357 W C -1.958 174.554 176.519 -0.012 0.000 0.936 357 W CA -1.953 55.381 57.345 -0.018 0.000 1.856 357 W CB 1.379 30.815 29.460 -0.041 0.000 2.036 357 W HN 0.599 nan 8.180 nan 0.000 0.393 358 P HA -0.051 nan 4.420 nan 0.000 0.223 358 P C 0.277 177.652 177.300 0.125 0.000 1.151 358 P CA 1.111 64.273 63.100 0.104 0.000 0.787 358 P CB 0.987 32.746 31.700 0.099 0.000 0.788 359 V N 0.634 120.636 119.914 0.147 0.000 2.495 359 V HA 0.448 4.569 4.120 0.002 0.000 0.298 359 V C 0.044 176.210 176.094 0.119 0.000 1.031 359 V CA -0.376 61.992 62.300 0.114 0.000 0.871 359 V CB 1.784 33.669 31.823 0.104 0.000 0.988 359 V HN 0.210 nan 8.190 nan 0.000 0.432 360 S N 4.085 119.815 115.700 0.049 0.000 2.541 360 S HA 0.849 5.321 4.470 0.002 0.000 0.271 360 S C -1.195 173.360 174.600 -0.076 0.000 1.133 360 S CA -0.933 57.278 58.200 0.019 0.000 0.876 360 S CB 2.435 65.653 63.200 0.030 0.000 1.105 360 S HN 0.694 nan 8.310 nan 0.000 0.470 361 K N 1.520 121.854 120.400 -0.108 0.000 2.525 361 K HA 0.545 4.866 4.320 0.002 0.000 0.254 361 K C -1.537 175.015 176.600 -0.080 0.000 0.934 361 K CA -0.772 55.383 56.287 -0.221 0.000 0.802 361 K CB 2.146 34.276 32.500 -0.617 0.000 1.295 361 K HN 0.629 nan 8.250 nan 0.000 0.433 362 V N 6.269 126.124 119.914 -0.098 0.000 2.479 362 V HA 0.045 4.166 4.120 0.002 0.000 0.281 362 V C 0.799 176.915 176.094 0.037 0.000 1.031 362 V CA 0.317 62.559 62.300 -0.097 0.000 1.038 362 V CB -0.033 31.703 31.823 -0.145 0.000 0.981 362 V HN 0.788 nan 8.190 nan 0.000 0.478 363 F N 2.244 122.151 119.950 -0.073 0.000 2.656 363 F HA 0.423 4.952 4.527 0.002 0.000 0.291 363 F C 0.848 176.507 175.800 -0.235 0.000 1.122 363 F CA -0.143 57.719 58.000 -0.230 0.000 1.427 363 F CB 0.313 39.148 39.000 -0.274 0.000 1.125 363 F HN 0.460 nan 8.300 nan 0.000 0.583 364 Q N 2.091 121.464 119.800 -0.713 0.000 2.589 364 Q HA 0.387 4.728 4.340 0.002 0.000 0.245 364 Q C -2.374 173.406 176.000 -0.367 0.000 0.931 364 Q CA -2.619 52.909 55.803 -0.458 0.000 0.730 364 Q CB 1.675 30.064 28.738 -0.582 0.000 1.315 364 Q HN -0.083 nan 8.270 nan 0.000 0.469 365 P HA -0.010 nan 4.420 nan 0.000 0.218 365 P C 0.473 177.693 177.300 -0.132 0.000 1.149 365 P CA 1.069 64.073 63.100 -0.161 0.000 0.817 365 P CB 0.392 32.032 31.700 -0.101 0.000 0.785 366 G N -0.260 108.481 108.800 -0.097 0.000 2.714 366 G HA2 0.208 4.169 3.960 0.002 0.000 0.197 366 G HA3 0.208 4.169 3.960 0.002 0.000 0.197 366 G C -0.486 174.377 174.900 -0.062 0.000 1.449 366 G CA -0.168 44.896 45.100 -0.061 0.000 1.065 366 G HN 0.177 nan 8.290 nan 0.000 0.575 367 S N -0.119 115.568 115.700 -0.021 0.000 2.537 367 S HA 0.415 4.886 4.470 0.002 0.000 0.286 367 S C -0.100 174.519 174.600 0.032 0.000 1.299 367 S CA 0.145 58.343 58.200 -0.004 0.000 1.067 367 S CB -0.000 63.205 63.200 0.009 0.000 0.864 367 S HN 0.413 nan 8.310 nan 0.000 0.494 368 M N 4.921 124.533 119.600 0.020 0.000 2.272 368 M HA 0.285 4.766 4.480 0.002 0.000 0.240 368 M C -0.479 175.871 176.300 0.083 0.000 0.991 368 M CA -0.209 55.129 55.300 0.064 0.000 1.008 368 M CB 1.078 33.586 32.600 -0.154 0.000 2.221 368 M HN 0.751 nan 8.290 nan 0.000 0.469 369 S N 2.882 118.681 115.700 0.166 0.000 2.970 369 S HA 0.444 4.915 4.470 0.002 0.000 0.165 369 S C -0.485 174.313 174.600 0.330 0.000 0.813 369 S CA 0.024 58.348 58.200 0.206 0.000 1.195 369 S CB 0.100 63.382 63.200 0.137 0.000 0.633 369 S HN 0.598 nan 8.310 nan 0.000 0.543 370 Y N 2.742 123.086 120.300 0.073 0.000 2.397 370 Y HA 0.451 5.002 4.550 0.002 0.000 0.335 370 Y C 0.852 176.823 175.900 0.117 0.000 1.213 370 Y CA -1.063 57.076 58.100 0.066 0.000 1.391 370 Y CB 0.223 38.714 38.460 0.051 0.000 1.293 370 Y HN 0.432 nan 8.280 nan 0.000 0.557 371 S N 0.326 116.132 115.700 0.176 0.000 2.537 371 S HA 0.698 5.169 4.470 0.002 0.000 0.270 371 S C -0.884 173.743 174.600 0.046 0.000 1.142 371 S CA -0.851 57.441 58.200 0.152 0.000 0.870 371 S CB 2.226 65.506 63.200 0.134 0.000 1.112 371 S HN 0.625 nan 8.310 nan 0.000 0.466 372 T N 2.006 116.601 114.554 0.069 0.000 3.032 372 T HA 0.573 4.924 4.350 0.002 0.000 0.312 372 T C -1.404 173.340 174.700 0.073 0.000 1.078 372 T CA -0.532 61.600 62.100 0.054 0.000 1.028 372 T CB 0.687 69.611 68.868 0.094 0.000 1.091 372 T HN 0.689 nan 8.240 nan 0.000 0.457 373 L N 2.993 124.252 121.223 0.060 0.000 2.344 373 L HA 0.808 5.149 4.340 0.002 0.000 0.272 373 L C 0.352 177.295 176.870 0.122 0.000 1.035 373 L CA -0.584 54.308 54.840 0.088 0.000 0.807 373 L CB 2.166 44.270 42.059 0.075 0.000 1.237 373 L HN 0.604 nan 8.230 nan 0.000 0.442 374 T N 1.148 115.788 114.554 0.143 0.000 2.923 374 T HA 0.653 5.004 4.350 0.002 0.000 0.311 374 T C -1.139 173.647 174.700 0.143 0.000 1.183 374 T CA -0.470 61.714 62.100 0.141 0.000 1.020 374 T CB 1.546 70.492 68.868 0.130 0.000 1.165 374 T HN 0.625 nan 8.240 nan 0.000 0.482 375 A N 4.446 127.337 122.820 0.120 0.000 2.320 375 A HA 0.718 5.039 4.320 0.002 0.000 0.287 375 A C -0.158 177.362 177.584 -0.106 0.000 1.181 375 A CA -0.416 51.625 52.037 0.007 0.000 0.831 375 A CB -0.080 18.966 19.000 0.077 0.000 1.102 375 A HN 0.792 nan 8.150 nan 0.000 0.513 376 L N 3.483 124.558 121.223 -0.247 0.000 2.379 376 L HA 0.316 4.657 4.340 0.002 0.000 0.269 376 L C -1.425 175.348 176.870 -0.161 0.000 1.084 376 L CA -1.907 52.833 54.840 -0.168 0.000 0.802 376 L CB 1.059 43.021 42.059 -0.162 0.000 1.175 376 L HN 0.481 nan 8.230 nan 0.000 0.448 377 P HA -0.155 nan 4.420 nan 0.000 0.220 377 P C 0.603 177.858 177.300 -0.076 0.000 1.148 377 P CA 0.951 64.007 63.100 -0.074 0.000 0.803 377 P CB 0.013 31.677 31.700 -0.061 0.000 0.782 378 D N -1.422 118.921 120.400 -0.095 0.000 2.336 378 D HA 0.054 4.695 4.640 0.002 0.000 0.229 378 D C 1.385 177.627 176.300 -0.097 0.000 1.061 378 D CA 0.586 54.539 54.000 -0.079 0.000 0.875 378 D CB -0.968 39.789 40.800 -0.071 0.000 0.904 378 D HN 0.232 nan 8.370 nan 0.000 0.525 379 G N -0.028 108.676 108.800 -0.159 0.000 2.176 379 G HA2 -0.298 3.664 3.960 0.002 0.000 0.253 379 G HA3 -0.298 3.664 3.960 0.002 0.000 0.253 379 G C 0.580 175.241 174.900 -0.398 0.000 0.979 379 G CA 0.788 45.771 45.100 -0.195 0.000 0.641 379 G HN 0.807 nan 8.290 nan 0.000 0.530 380 T N -2.130 112.170 114.554 -0.423 0.000 2.867 380 T HA 0.707 5.058 4.350 0.002 0.000 0.286 380 T C -0.154 173.949 174.700 -0.996 0.000 1.022 380 T CA -0.479 61.310 62.100 -0.517 0.000 0.933 380 T CB 1.601 70.329 68.868 -0.234 0.000 1.280 380 T HN 0.496 nan 8.240 nan 0.000 0.566 381 Y N -1.306 118.699 120.300 -0.491 0.000 2.442 381 Y HA 0.617 5.168 4.550 0.002 0.000 0.344 381 Y C 0.686 176.286 175.900 -0.499 0.000 0.976 381 Y CA -1.027 56.732 58.100 -0.568 0.000 1.040 381 Y CB 2.171 40.044 38.460 -0.979 0.000 1.228 381 Y HN 1.090 nan 8.280 nan 0.000 0.451 382 G N 1.977 110.739 108.800 -0.065 0.000 2.377 382 G HA2 0.553 4.515 3.960 0.002 0.000 0.299 382 G HA3 0.553 4.515 3.960 0.002 0.000 0.299 382 G C -1.856 173.066 174.900 0.036 0.000 1.150 382 G CA -0.484 44.659 45.100 0.073 0.000 0.847 382 G HN 0.495 nan 8.290 nan 0.000 0.501 383 L N 2.294 123.468 121.223 -0.082 0.000 2.491 383 L HA 0.592 4.933 4.340 0.002 0.000 0.267 383 L C -1.502 175.390 176.870 0.036 0.000 0.971 383 L CA -0.807 54.016 54.840 -0.028 0.000 0.857 383 L CB 1.829 43.821 42.059 -0.112 0.000 1.226 383 L HN 0.410 nan 8.230 nan 0.000 0.408 384 L N 6.686 128.000 121.223 0.152 0.000 2.287 384 L HA 0.711 5.053 4.340 0.002 0.000 0.287 384 L C -1.010 175.986 176.870 0.210 0.000 1.022 384 L CA -0.170 54.769 54.840 0.166 0.000 0.814 384 L CB 1.046 43.219 42.059 0.190 0.000 1.217 384 L HN 0.678 nan 8.230 nan 0.000 0.420 385 Y N 1.437 121.750 120.300 0.021 0.000 2.715 385 Y HA 0.690 5.241 4.550 0.002 0.000 0.331 385 Y C -1.199 174.727 175.900 0.044 0.000 1.197 385 Y CA -1.217 56.926 58.100 0.072 0.000 1.079 385 Y CB 1.195 39.746 38.460 0.152 0.000 1.298 385 Y HN 0.515 nan 8.280 nan 0.000 0.477 386 E N 2.844 123.188 120.200 0.239 0.000 2.073 386 E HA 0.250 4.601 4.350 0.002 0.000 0.269 386 E C -2.289 174.414 176.600 0.172 0.000 0.917 386 E CA -2.138 54.307 56.400 0.075 0.000 0.757 386 E CB 1.676 31.417 29.700 0.069 0.000 1.111 386 E HN 0.477 nan 8.360 nan 0.000 0.410 387 P HA 0.068 nan 4.420 nan 0.000 0.255 387 P C 0.822 178.147 177.300 0.041 0.000 1.248 387 P CA 0.522 63.684 63.100 0.103 0.000 0.807 387 P CB 0.725 32.428 31.700 0.005 0.000 1.150 388 G N 0.095 108.899 108.800 0.007 0.000 2.254 388 G HA2 -0.257 3.704 3.960 0.002 0.000 0.225 388 G HA3 -0.257 3.704 3.960 0.002 0.000 0.225 388 G C 0.905 175.794 174.900 -0.020 0.000 1.003 388 G CA 0.545 45.641 45.100 -0.006 0.000 0.622 388 G HN 0.451 nan 8.290 nan 0.000 0.507 389 T N -1.334 113.202 114.554 -0.031 0.000 3.105 389 T HA 0.584 4.936 4.350 0.002 0.000 0.253 389 T C 1.657 176.337 174.700 -0.033 0.000 1.047 389 T CA 1.459 63.542 62.100 -0.028 0.000 0.944 389 T CB 0.883 69.732 68.868 -0.032 0.000 1.016 389 T HN 2.266 nan 8.240 nan 0.000 0.544 390 G N 1.559 110.323 108.800 -0.059 0.000 2.013 390 G HA2 0.150 4.111 3.960 0.002 0.000 0.076 390 G HA3 0.150 4.111 3.960 0.002 0.000 0.076 390 G C -1.711 173.069 174.900 -0.201 0.000 1.053 390 G CA -0.448 44.608 45.100 -0.075 0.000 1.230 390 G HN 0.334 nan 8.290 nan 0.000 0.431 391 I N 1.247 121.603 120.570 -0.356 0.000 2.533 391 I HA 0.703 4.874 4.170 0.002 0.000 0.290 391 I C 0.039 175.883 176.117 -0.455 0.000 1.056 391 I CA -0.526 60.505 61.300 -0.448 0.000 1.057 391 I CB 1.706 39.257 38.000 -0.748 0.000 1.240 391 I HN 0.719 nan 8.210 nan 0.000 0.423 392 R N 4.473 124.690 120.500 -0.471 0.000 2.673 392 R HA 0.431 4.772 4.340 0.002 0.000 0.281 392 R C -2.022 174.057 176.300 -0.370 0.000 0.991 392 R CA -0.678 55.136 56.100 -0.476 0.000 0.896 392 R CB 2.552 32.458 30.300 -0.657 0.000 1.201 392 R HN 0.543 nan 8.270 nan 0.000 0.457 393 Y N 2.835 122.926 120.300 -0.348 0.000 2.334 393 Y HA 0.651 5.202 4.550 0.002 0.000 0.336 393 Y C -1.260 174.574 175.900 -0.111 0.000 0.960 393 Y CA -0.461 57.510 58.100 -0.216 0.000 1.164 393 Y CB 1.514 39.785 38.460 -0.314 0.000 1.155 393 Y HN 0.727 nan 8.280 nan 0.000 0.478 394 A N 5.112 127.485 122.820 -0.745 0.000 2.337 394 A HA 0.648 4.969 4.320 0.002 0.000 0.331 394 A C -1.342 175.636 177.584 -1.009 0.000 1.137 394 A CA -0.843 50.738 52.037 -0.760 0.000 0.807 394 A CB 1.097 19.829 19.000 -0.447 0.000 1.250 394 A HN 0.757 nan 8.150 nan 0.000 0.468 395 N N 0.119 118.359 118.700 -0.766 0.000 2.352 395 N HA 0.712 5.453 4.740 0.002 0.000 0.291 395 N C -1.232 174.069 175.510 -0.348 0.000 1.040 395 N CA -0.528 52.237 53.050 -0.475 0.000 0.864 395 N CB 1.125 39.464 38.487 -0.246 0.000 1.440 395 N HN 0.603 nan 8.380 nan 0.000 0.483 396 F N 0.829 120.618 119.950 -0.267 0.000 2.664 396 F HA 0.701 5.229 4.527 0.002 0.000 0.317 396 F C -0.970 174.913 175.800 0.139 0.000 1.108 396 F CA -1.102 56.812 58.000 -0.144 0.000 0.957 396 F CB 0.947 39.780 39.000 -0.279 0.000 1.365 396 F HN 0.411 nan 8.300 nan 0.000 0.475 397 N N 0.606 119.584 118.700 0.463 0.000 2.453 397 N HA 0.388 5.129 4.740 0.002 0.000 0.290 397 N C -0.062 175.826 175.510 0.631 0.000 1.250 397 N CA -1.034 52.270 53.050 0.423 0.000 0.815 397 N CB 1.135 39.777 38.487 0.258 0.000 1.381 397 N HN 0.836 nan 8.380 nan 0.000 0.510 398 L N -0.471 121.044 121.223 0.487 0.000 2.191 398 L HA -0.100 4.242 4.340 0.002 0.000 0.212 398 L C 2.229 179.296 176.870 0.328 0.000 1.103 398 L CA 1.639 56.722 54.840 0.405 0.000 0.769 398 L CB -0.692 41.572 42.059 0.341 0.000 0.908 398 L HN 0.790 nan 8.230 nan 0.000 0.438 399 A N -0.350 122.658 122.820 0.312 0.000 1.898 399 A HA -0.265 4.056 4.320 0.002 0.000 0.216 399 A C 1.994 179.736 177.584 0.263 0.000 1.181 399 A CA 1.401 53.583 52.037 0.242 0.000 0.620 399 A CB -0.925 18.203 19.000 0.214 0.000 0.819 399 A HN 0.637 nan 8.150 nan 0.000 0.442 400 W N 0.347 121.766 121.300 0.197 0.000 2.338 400 W HA -0.175 4.486 4.660 0.002 0.000 0.304 400 W C 1.586 178.174 176.519 0.116 0.000 1.212 400 W CA 1.730 59.179 57.345 0.174 0.000 1.264 400 W CB -0.387 29.230 29.460 0.261 0.000 1.142 400 W HN 0.264 nan 8.180 nan 0.000 0.512 401 L N 1.837 123.106 121.223 0.075 0.000 2.079 401 L HA 0.051 4.392 4.340 0.002 0.000 0.210 401 L C 2.125 178.867 176.870 -0.213 0.000 1.081 401 L CA 2.519 57.236 54.840 -0.205 0.000 0.752 401 L CB -1.267 40.885 42.059 0.154 0.000 0.896 401 L HN 0.389 nan 8.230 nan 0.000 0.433 402 G N -1.498 107.266 108.800 -0.061 0.000 2.221 402 G HA2 -0.193 3.768 3.960 0.002 0.000 0.265 402 G HA3 -0.193 3.768 3.960 0.002 0.000 0.265 402 G C 0.556 175.445 174.900 -0.019 0.000 1.041 402 G CA 0.252 45.321 45.100 -0.051 0.000 0.807 402 G HN 0.861 nan 8.290 nan 0.000 0.502 403 G N -1.131 107.683 108.800 0.023 0.000 2.471 403 G HA2 0.736 4.697 3.960 0.002 0.000 0.332 403 G HA3 0.736 4.697 3.960 0.002 0.000 0.332 403 G C -0.475 174.464 174.900 0.064 0.000 1.176 403 G CA -0.616 44.511 45.100 0.044 0.000 0.949 403 G HN 0.937 nan 8.290 nan 0.000 0.488 404 I N -0.358 120.253 120.570 0.067 0.000 2.608 404 I HA 0.312 4.483 4.170 0.002 0.000 0.295 404 I C -0.368 175.795 176.117 0.078 0.000 1.049 404 I CA -0.935 60.406 61.300 0.068 0.000 1.063 404 I CB 1.806 39.835 38.000 0.049 0.000 1.248 404 I HN 0.410 nan 8.210 nan 0.000 0.424 405 c N 7.238 125.881 118.600 0.072 0.000 2.645 405 c HA 0.523 5.095 4.570 0.002 0.000 0.451 405 c C 0.766 174.891 174.090 0.059 0.000 1.018 405 c CA -0.154 56.212 56.329 0.062 0.000 1.180 405 c CB -2.130 40.414 42.510 0.056 0.000 1.563 405 c HN 0.642 nan 8.230 nan 0.000 0.551 406 A N 4.266 127.137 122.820 0.086 0.000 3.409 406 A HA 0.481 4.802 4.320 0.002 0.000 0.282 406 A C -2.591 175.113 177.584 0.200 0.000 1.064 406 A CA -0.732 51.368 52.037 0.105 0.000 0.889 406 A CB 0.300 19.345 19.000 0.076 0.000 1.251 406 A HN 0.492 nan 8.150 nan 0.000 0.538 407 P HA 0.455 nan 4.420 nan 0.000 0.269 407 P C -0.637 176.808 177.300 0.241 0.000 1.209 407 P CA 0.408 63.591 63.100 0.138 0.000 0.776 407 P CB 0.308 32.028 31.700 0.032 0.000 0.876 408 F N -1.486 118.471 119.950 0.011 0.000 2.668 408 F HA 0.731 5.260 4.527 0.002 0.000 0.309 408 F C -1.043 174.760 175.800 0.005 0.000 1.117 408 F CA -0.967 57.035 58.000 0.002 0.000 0.951 408 F CB 1.440 40.439 39.000 -0.001 0.000 1.323 408 F HN 0.334 nan 8.300 nan 0.000 0.451 409 T N 0.447 115.050 114.554 0.082 0.000 2.876 409 T HA 0.822 5.173 4.350 0.002 0.000 0.289 409 T C -0.976 173.728 174.700 0.007 0.000 1.014 409 T CA -0.654 61.423 62.100 -0.039 0.000 0.986 409 T CB 1.872 70.728 68.868 -0.019 0.000 1.021 409 T HN 0.761 nan 8.240 nan 0.000 0.458 410 I N 3.199 123.719 120.570 -0.083 0.000 2.499 410 I HA 0.422 4.593 4.170 0.002 0.000 0.288 410 I C -2.324 173.696 176.117 -0.161 0.000 1.048 410 I CA -2.636 58.523 61.300 -0.234 0.000 1.062 410 I CB 2.722 40.357 38.000 -0.609 0.000 1.238 410 I HN 0.490 nan 8.210 nan 0.000 0.426 411 P HA 0.158 nan 4.420 nan 0.000 0.274 411 P C -1.026 176.326 177.300 0.086 0.000 1.237 411 P CA -0.353 62.739 63.100 -0.012 0.000 0.793 411 P CB 0.768 32.458 31.700 -0.017 0.000 0.977 412 D N -0.099 120.393 120.400 0.153 0.000 2.423 412 D HA 0.223 4.864 4.640 0.002 0.000 0.238 412 D C -0.072 176.325 176.300 0.163 0.000 1.142 412 D CA 0.323 54.451 54.000 0.214 0.000 0.884 412 D CB 0.673 41.557 40.800 0.140 0.000 1.199 412 D HN 0.039 nan 8.370 nan 0.000 0.438 413 V N -0.207 119.824 119.914 0.195 0.000 3.087 413 V HA 0.706 4.827 4.120 0.002 0.000 0.306 413 V C -1.618 174.547 176.094 0.117 0.000 1.187 413 V CA -0.629 61.751 62.300 0.134 0.000 0.999 413 V CB 2.136 34.038 31.823 0.132 0.000 1.049 413 V HN 0.688 nan 8.190 nan 0.000 0.431 414 A N 5.406 128.269 122.820 0.073 0.000 2.355 414 A HA 0.968 5.290 4.320 0.002 0.000 0.317 414 A C -1.426 176.171 177.584 0.023 0.000 1.094 414 A CA -0.468 51.601 52.037 0.053 0.000 0.764 414 A CB 1.396 20.422 19.000 0.043 0.000 1.230 414 A HN 1.453 nan 8.150 nan 0.000 0.448 415 L N -0.921 120.301 121.223 -0.001 0.000 2.510 415 L HA 0.793 5.135 4.340 0.002 0.000 0.252 415 L C -0.521 176.322 176.870 -0.045 0.000 1.091 415 L CA -1.295 53.526 54.840 -0.032 0.000 0.888 415 L CB -0.057 41.962 42.059 -0.068 0.000 1.507 415 L HN 0.498 nan 8.230 nan 0.000 0.407 416 E N 0.402 120.569 120.200 -0.054 0.000 2.283 416 E HA 0.491 4.843 4.350 0.002 0.000 0.267 416 E C -2.486 174.051 176.600 -0.105 0.000 1.045 416 E CA -2.207 54.161 56.400 -0.054 0.000 0.884 416 E CB 0.296 29.978 29.700 -0.031 0.000 1.106 416 E HN 0.426 nan 8.360 nan 0.000 0.408 417 P HA -0.055 nan 4.420 nan 0.000 0.261 417 P C 0.785 178.017 177.300 -0.114 0.000 1.165 417 P CA 1.389 64.415 63.100 -0.123 0.000 0.759 417 P CB 0.190 31.852 31.700 -0.064 0.000 0.772 418 G N 1.645 110.356 108.800 -0.148 0.000 2.217 418 G HA2 -0.237 3.724 3.960 0.002 0.000 0.246 418 G HA3 -0.237 3.724 3.960 0.002 0.000 0.246 418 G C 0.164 174.999 174.900 -0.107 0.000 0.990 418 G CA -0.204 44.831 45.100 -0.108 0.000 0.627 418 G HN 0.572 nan 8.290 nan 0.000 0.522 419 Q N -0.292 119.431 119.800 -0.128 0.000 2.180 419 Q HA 0.671 5.013 4.340 0.002 0.000 0.241 419 Q C -0.002 175.922 176.000 -0.126 0.000 0.970 419 Q CA -0.443 55.297 55.803 -0.105 0.000 0.919 419 Q CB 1.127 29.813 28.738 -0.086 0.000 1.222 419 Q HN 0.397 nan 8.270 nan 0.000 0.482 420 Q N 0.564 120.313 119.800 -0.086 0.000 2.365 420 Q HA 0.683 5.024 4.340 0.002 0.000 0.269 420 Q C -1.965 174.006 176.000 -0.047 0.000 1.061 420 Q CA -0.599 55.161 55.803 -0.071 0.000 0.816 420 Q CB 2.276 30.986 28.738 -0.047 0.000 1.325 420 Q HN 0.443 nan 8.270 nan 0.000 0.446 421 V N 2.013 121.907 119.914 -0.032 0.000 3.012 421 V HA 0.609 4.730 4.120 0.002 0.000 0.307 421 V C -1.391 174.706 176.094 0.005 0.000 1.166 421 V CA -0.232 62.061 62.300 -0.011 0.000 0.974 421 V CB 2.856 34.677 31.823 -0.004 0.000 1.040 421 V HN 0.922 nan 8.190 nan 0.000 0.428 422 T N 4.667 119.222 114.554 0.002 0.000 2.829 422 T HA 0.695 5.046 4.350 0.002 0.000 0.280 422 T C -0.703 173.991 174.700 -0.011 0.000 0.999 422 T CA -0.368 61.731 62.100 -0.001 0.000 0.983 422 T CB 1.500 70.364 68.868 -0.005 0.000 0.968 422 T HN 1.021 nan 8.240 nan 0.000 0.446 423 V N 1.304 121.199 119.914 -0.032 0.000 2.769 423 V HA 0.849 4.970 4.120 0.002 0.000 0.312 423 V C -2.841 173.204 176.094 -0.082 0.000 1.061 423 V CA -3.012 59.249 62.300 -0.065 0.000 0.931 423 V CB 1.794 33.548 31.823 -0.115 0.000 1.010 423 V HN 0.608 nan 8.190 nan 0.000 0.433 424 P HA 0.429 nan 4.420 nan 0.000 0.282 424 P C -0.801 176.459 177.300 -0.065 0.000 1.249 424 P CA -0.286 62.782 63.100 -0.053 0.000 0.806 424 P CB 1.797 33.477 31.700 -0.034 0.000 0.984 425 V N 1.721 121.612 119.914 -0.039 0.000 2.581 425 V HA 0.695 4.816 4.120 0.002 0.000 0.303 425 V C 0.231 176.339 176.094 0.023 0.000 1.041 425 V CA -0.743 61.558 62.300 0.003 0.000 0.907 425 V CB 1.450 33.275 31.823 0.003 0.000 0.994 425 V HN 0.775 nan 8.190 nan 0.000 0.442 426 A N 4.066 126.928 122.820 0.070 0.000 2.353 426 A HA 0.807 5.128 4.320 0.002 0.000 0.299 426 A C -1.011 176.644 177.584 0.120 0.000 1.089 426 A CA -0.484 51.589 52.037 0.060 0.000 0.736 426 A CB 1.507 20.529 19.000 0.037 0.000 1.195 426 A HN 0.639 nan 8.150 nan 0.000 0.447 427 V N 2.366 122.329 119.914 0.081 0.000 2.370 427 V HA 0.423 4.545 4.120 0.002 0.000 0.283 427 V C 0.254 176.387 176.094 0.065 0.000 1.023 427 V CA -0.275 62.086 62.300 0.102 0.000 0.857 427 V CB 1.637 33.460 31.823 0.001 0.000 0.985 427 V HN 0.855 nan 8.190 nan 0.000 0.443 428 T N 4.439 119.041 114.554 0.080 0.000 2.811 428 T HA 0.180 4.531 4.350 0.002 0.000 0.309 428 T C 0.211 174.935 174.700 0.040 0.000 1.005 428 T CA -0.162 61.965 62.100 0.045 0.000 0.955 428 T CB -0.160 68.729 68.868 0.034 0.000 0.970 428 T HN 0.605 nan 8.240 nan 0.000 0.496 429 N N 2.995 121.709 118.700 0.024 0.000 2.405 429 N HA 0.084 4.825 4.740 0.002 0.000 0.260 429 N C 0.734 176.254 175.510 0.017 0.000 1.152 429 N CA 0.045 53.108 53.050 0.021 0.000 0.948 429 N CB 0.785 39.278 38.487 0.009 0.000 1.111 429 N HN 0.549 nan 8.380 nan 0.000 0.485 430 Q N 0.959 120.773 119.800 0.022 0.000 2.247 430 Q HA 0.065 4.406 4.340 0.002 0.000 0.211 430 Q C 1.292 177.305 176.000 0.023 0.000 0.861 430 Q CA -0.073 55.740 55.803 0.017 0.000 0.949 430 Q CB 0.382 29.128 28.738 0.013 0.000 1.115 430 Q HN 0.757 nan 8.270 nan 0.000 0.507 431 S N -0.403 115.312 115.700 0.026 0.000 2.428 431 S HA 0.007 4.478 4.470 0.002 0.000 0.230 431 S C 1.711 176.324 174.600 0.021 0.000 1.014 431 S CA 0.740 58.959 58.200 0.031 0.000 0.957 431 S CB -0.196 63.023 63.200 0.031 0.000 0.784 431 S HN 0.497 nan 8.310 nan 0.000 0.499 432 G N 0.978 109.785 108.800 0.013 0.000 2.148 432 G HA2 -0.231 3.730 3.960 0.002 0.000 0.254 432 G HA3 -0.231 3.730 3.960 0.002 0.000 0.254 432 G C -0.078 174.826 174.900 0.006 0.000 0.981 432 G CA 0.444 45.547 45.100 0.007 0.000 0.670 432 G HN 1.162 nan 8.290 nan 0.000 0.528 433 I N -3.061 117.514 120.570 0.009 0.000 2.934 433 I HA 0.935 5.106 4.170 0.002 0.000 0.306 433 I C 0.122 176.241 176.117 0.004 0.000 1.110 433 I CA -1.285 60.019 61.300 0.007 0.000 1.019 433 I CB 1.858 39.865 38.000 0.011 0.000 1.227 433 I HN 0.604 nan 8.210 nan 0.000 0.434 434 A N 3.223 126.044 122.820 0.002 0.000 2.331 434 A HA 0.747 5.069 4.320 0.002 0.000 0.283 434 A C -0.447 177.135 177.584 -0.003 0.000 1.142 434 A CA -0.501 51.534 52.037 -0.002 0.000 0.812 434 A CB 0.668 19.666 19.000 -0.003 0.000 1.074 434 A HN 0.692 nan 8.150 nan 0.000 0.497 435 V N 5.404 125.313 119.914 -0.008 0.000 2.325 435 V HA 0.270 4.391 4.120 0.002 0.000 0.280 435 V C -1.646 174.438 176.094 -0.015 0.000 1.016 435 V CA -0.879 61.414 62.300 -0.011 0.000 0.818 435 V CB 1.488 33.301 31.823 -0.017 0.000 1.019 435 V HN 0.868 nan 8.190 nan 0.000 0.434 436 P HA -0.049 nan 4.420 nan 0.000 0.219 436 P C 0.468 177.758 177.300 -0.017 0.000 1.150 436 P CA 1.056 64.149 63.100 -0.013 0.000 0.814 436 P CB 0.422 32.117 31.700 -0.008 0.000 0.787 437 K N 0.011 120.400 120.400 -0.018 0.000 3.237 437 K HA 0.294 4.615 4.320 0.002 0.000 0.197 437 K C -2.340 174.243 176.600 -0.028 0.000 1.133 437 K CA -1.291 54.984 56.287 -0.020 0.000 0.944 437 K CB 0.839 33.331 32.500 -0.013 0.000 0.952 437 K HN 0.253 nan 8.250 nan 0.000 0.515 438 P HA 0.049 nan 4.420 nan 0.000 0.271 438 P C -0.111 177.152 177.300 -0.061 0.000 1.218 438 P CA 0.110 63.175 63.100 -0.058 0.000 0.780 438 P CB 1.175 32.827 31.700 -0.080 0.000 0.901 439 S N 1.548 117.208 115.700 -0.067 0.000 2.671 439 S HA 0.721 5.192 4.470 0.002 0.000 0.299 439 S C -1.095 173.453 174.600 -0.086 0.000 1.116 439 S CA -0.809 57.354 58.200 -0.062 0.000 0.912 439 S CB 1.490 64.669 63.200 -0.035 0.000 1.130 439 S HN 0.326 nan 8.310 nan 0.000 0.501 440 L N 1.448 122.632 121.223 -0.065 0.000 2.404 440 L HA 0.570 4.911 4.340 0.002 0.000 0.272 440 L C -0.768 176.103 176.870 0.002 0.000 0.980 440 L CA -0.126 54.675 54.840 -0.065 0.000 0.836 440 L CB 1.776 43.781 42.059 -0.090 0.000 1.238 440 L HN 0.975 nan 8.230 nan 0.000 0.408 441 Q N 4.469 124.288 119.800 0.031 0.000 2.333 441 Q HA 0.730 5.071 4.340 0.002 0.000 0.267 441 Q C -1.900 174.155 176.000 0.092 0.000 1.012 441 Q CA -0.691 55.142 55.803 0.050 0.000 0.824 441 Q CB 1.766 30.523 28.738 0.033 0.000 1.290 441 Q HN 0.732 nan 8.270 nan 0.000 0.449 442 L N 2.558 123.837 121.223 0.093 0.000 2.342 442 L HA 0.476 4.817 4.340 0.002 0.000 0.271 442 L C -0.836 176.070 176.870 0.061 0.000 1.008 442 L CA -0.746 54.167 54.840 0.122 0.000 0.818 442 L CB 1.955 44.119 42.059 0.176 0.000 1.296 442 L HN 0.632 nan 8.230 nan 0.000 0.427 443 D N 2.134 122.553 120.400 0.031 0.000 2.438 443 D HA 0.665 5.306 4.640 0.002 0.000 0.257 443 D C -0.995 175.250 176.300 -0.091 0.000 1.148 443 D CA -0.075 53.910 54.000 -0.026 0.000 0.902 443 D CB 1.253 42.039 40.800 -0.024 0.000 1.062 443 D HN 0.618 nan 8.370 nan 0.000 0.518 444 A N 1.778 124.523 122.820 -0.124 0.000 2.437 444 A HA 0.714 5.035 4.320 0.002 0.000 0.292 444 A C -0.051 177.320 177.584 -0.356 0.000 1.173 444 A CA -0.735 51.137 52.037 -0.275 0.000 0.785 444 A CB 1.077 19.953 19.000 -0.208 0.000 1.351 444 A HN 0.321 nan 8.150 nan 0.000 0.431 445 S N 2.353 117.649 115.700 -0.673 0.000 2.702 445 S HA 0.070 4.541 4.470 0.002 0.000 0.314 445 S C -1.332 173.046 174.600 -0.370 0.000 1.244 445 S CA 0.238 58.056 58.200 -0.638 0.000 1.058 445 S CB 0.191 62.693 63.200 -1.164 0.000 0.783 445 S HN 0.585 nan 8.310 nan 0.000 0.503 446 P HA -0.106 nan 4.420 nan 0.000 0.222 446 P C 0.413 177.717 177.300 0.007 0.000 1.147 446 P CA 0.947 64.009 63.100 -0.064 0.000 0.790 446 P CB 0.116 31.788 31.700 -0.046 0.000 0.780 447 D N -1.552 118.866 120.400 0.029 0.000 2.312 447 D HA -0.062 4.579 4.640 0.002 0.000 0.211 447 D C 0.604 177.081 176.300 0.296 0.000 0.964 447 D CA 0.662 54.749 54.000 0.145 0.000 0.877 447 D CB -0.368 40.532 40.800 0.167 0.000 0.924 447 D HN 0.203 nan 8.370 nan 0.000 0.515 448 W N 1.048 122.310 121.300 -0.063 0.000 2.283 448 W HA 0.461 5.122 4.660 0.002 0.000 0.341 448 W C 0.210 176.709 176.519 -0.034 0.000 1.206 448 W CA -0.867 56.440 57.345 -0.063 0.000 1.294 448 W CB 0.031 29.436 29.460 -0.091 0.000 1.154 448 W HN -0.272 nan 8.180 nan 0.000 0.613 449 Q N 0.965 120.885 119.800 0.200 0.000 2.348 449 Q HA 0.569 4.910 4.340 0.002 0.000 0.265 449 Q C -0.975 175.105 176.000 0.134 0.000 0.998 449 Q CA -0.445 55.431 55.803 0.122 0.000 0.831 449 Q CB 1.752 30.529 28.738 0.065 0.000 1.251 449 Q HN 0.168 nan 8.270 nan 0.000 0.456 450 V N 2.761 122.756 119.914 0.136 0.000 2.577 450 V HA 0.535 4.656 4.120 0.002 0.000 0.303 450 V C -0.665 175.491 176.094 0.104 0.000 1.042 450 V CA -0.809 61.579 62.300 0.147 0.000 0.872 450 V CB 1.871 33.815 31.823 0.202 0.000 0.998 450 V HN 0.693 nan 8.190 nan 0.000 0.423 451 Q N 1.604 121.459 119.800 0.092 0.000 2.359 451 Q HA 0.812 5.153 4.340 0.002 0.000 0.274 451 Q C -0.175 175.860 176.000 0.059 0.000 1.074 451 Q CA -0.386 55.455 55.803 0.063 0.000 0.810 451 Q CB 2.924 31.688 28.738 0.042 0.000 1.342 451 Q HN 1.019 nan 8.270 nan 0.000 0.427 452 G N 0.168 108.993 108.800 0.042 0.000 2.694 452 G HA2 0.773 4.735 3.960 0.002 0.000 0.290 452 G HA3 0.773 4.735 3.960 0.002 0.000 0.290 452 G C -1.291 173.607 174.900 -0.002 0.000 1.386 452 G CA -0.481 44.633 45.100 0.024 0.000 0.872 452 G HN 0.637 nan 8.290 nan 0.000 0.475 453 S N -2.242 113.446 115.700 -0.021 0.000 2.596 453 S HA 0.821 5.292 4.470 0.002 0.000 0.270 453 S C -1.542 173.023 174.600 -0.057 0.000 1.155 453 S CA -0.555 57.624 58.200 -0.035 0.000 0.827 453 S CB 1.782 64.968 63.200 -0.024 0.000 1.130 453 S HN 2.099 nan 8.310 nan 0.000 0.467 454 V N 0.627 120.502 119.914 -0.066 0.000 2.924 454 V HA 0.502 4.623 4.120 0.002 0.000 0.300 454 V C -1.241 174.815 176.094 -0.062 0.000 1.227 454 V CA -0.543 61.709 62.300 -0.080 0.000 0.954 454 V CB 1.813 33.555 31.823 -0.135 0.000 1.055 454 V HN 1.103 nan 8.190 nan 0.000 0.429 455 E N 5.853 126.023 120.200 -0.050 0.000 2.392 455 E HA 0.345 4.696 4.350 0.002 0.000 0.256 455 E C -2.529 174.048 176.600 -0.039 0.000 1.145 455 E CA -1.643 54.735 56.400 -0.037 0.000 0.929 455 E CB 0.442 30.125 29.700 -0.028 0.000 0.998 455 E HN 0.573 nan 8.360 nan 0.000 0.442 456 P HA -0.003 nan 4.420 nan 0.000 0.267 456 P C -0.803 176.483 177.300 -0.024 0.000 1.205 456 P CA 0.322 63.406 63.100 -0.027 0.000 0.765 456 P CB 0.338 32.026 31.700 -0.019 0.000 0.828 457 L N 4.099 125.307 121.223 -0.025 0.000 2.367 457 L HA 0.358 4.699 4.340 0.002 0.000 0.275 457 L C 0.639 177.502 176.870 -0.012 0.000 1.129 457 L CA 0.127 54.955 54.840 -0.020 0.000 0.839 457 L CB -0.047 41.999 42.059 -0.022 0.000 1.133 457 L HN 0.268 nan 8.230 nan 0.000 0.453 458 M N 3.801 123.396 119.600 -0.009 0.000 2.602 458 M HA 0.454 4.935 4.480 0.002 0.000 0.312 458 M C -2.512 173.786 176.300 -0.003 0.000 1.181 458 M CA -2.087 53.209 55.300 -0.006 0.000 0.910 458 M CB 2.116 34.712 32.600 -0.006 0.000 1.723 458 M HN 0.200 nan 8.290 nan 0.000 0.459 459 P HA 0.084 nan 4.420 nan 0.000 0.264 459 P C 0.753 178.053 177.300 -0.001 0.000 1.193 459 P CA 0.903 64.002 63.100 -0.000 0.000 0.763 459 P CB 0.272 31.971 31.700 -0.001 0.000 0.810 460 G N 1.506 110.306 108.800 0.001 0.000 2.143 460 G HA2 -0.238 3.723 3.960 0.002 0.000 0.248 460 G HA3 -0.238 3.723 3.960 0.002 0.000 0.248 460 G C 0.073 174.973 174.900 -0.000 0.000 0.991 460 G CA -0.223 44.877 45.100 0.000 0.000 0.689 460 G HN 0.549 nan 8.290 nan 0.000 0.522 461 R N -0.015 120.485 120.500 0.000 0.000 2.803 461 R HA 0.605 4.947 4.340 0.002 0.000 0.276 461 R C 0.316 176.618 176.300 0.002 0.000 0.978 461 R CA -0.796 55.303 56.100 -0.001 0.000 0.939 461 R CB 0.751 31.049 30.300 -0.003 0.000 1.179 461 R HN 0.357 nan 8.270 nan 0.000 0.472 462 Q N 0.875 120.677 119.800 0.002 0.000 2.340 462 Q HA 0.550 4.892 4.340 0.002 0.000 0.249 462 Q C -0.638 175.361 176.000 -0.001 0.000 0.957 462 Q CA -0.210 55.596 55.803 0.005 0.000 0.882 462 Q CB 1.544 30.286 28.738 0.005 0.000 1.235 462 Q HN 0.613 nan 8.270 nan 0.000 0.439 463 A N 2.568 125.386 122.820 -0.003 0.000 2.365 463 A HA 0.533 4.855 4.320 0.002 0.000 0.318 463 A C -0.735 176.839 177.584 -0.015 0.000 1.091 463 A CA -0.813 51.216 52.037 -0.015 0.000 0.763 463 A CB 1.184 20.168 19.000 -0.028 0.000 1.248 463 A HN 0.596 nan 8.150 nan 0.000 0.442 464 K N 0.818 121.206 120.400 -0.020 0.000 2.110 464 K HA 0.646 4.967 4.320 0.002 0.000 0.263 464 K C 0.203 176.782 176.600 -0.034 0.000 0.975 464 K CA -0.275 56.000 56.287 -0.020 0.000 0.895 464 K CB 2.024 34.514 32.500 -0.017 0.000 1.060 464 K HN 0.839 nan 8.250 nan 0.000 0.448 465 G N 0.737 109.516 108.800 -0.036 0.000 2.975 465 G HA2 0.448 4.409 3.960 0.002 0.000 0.291 465 G HA3 0.448 4.409 3.960 0.002 0.000 0.291 465 G C -1.492 173.386 174.900 -0.037 0.000 1.334 465 G CA -0.456 44.618 45.100 -0.045 0.000 0.843 465 G HN 0.464 nan 8.290 nan 0.000 0.548 466 Q N -1.240 118.537 119.800 -0.038 0.000 2.377 466 Q HA 0.572 4.914 4.340 0.002 0.000 0.279 466 Q C -1.689 174.295 176.000 -0.028 0.000 1.049 466 Q CA -0.789 54.993 55.803 -0.035 0.000 0.825 466 Q CB 3.266 31.990 28.738 -0.023 0.000 1.401 466 Q HN 0.355 nan 8.270 nan 0.000 0.404 467 V N 1.139 121.034 119.914 -0.033 0.000 2.531 467 V HA 0.471 4.592 4.120 0.002 0.000 0.301 467 V C -0.575 175.535 176.094 0.028 0.000 1.034 467 V CA -0.549 61.755 62.300 0.007 0.000 0.865 467 V CB 2.057 33.876 31.823 -0.007 0.000 0.995 467 V HN 0.773 nan 8.190 nan 0.000 0.424 468 T N 6.172 120.757 114.554 0.051 0.000 2.771 468 T HA 0.719 5.071 4.350 0.002 0.000 0.281 468 T C -0.446 174.303 174.700 0.082 0.000 0.982 468 T CA -0.066 62.064 62.100 0.048 0.000 0.978 468 T CB 0.831 69.716 68.868 0.028 0.000 0.930 468 T HN 0.381 nan 8.240 nan 0.000 0.447 469 I N 2.858 123.474 120.570 0.076 0.000 2.418 469 I HA 0.347 4.518 4.170 0.002 0.000 0.287 469 I C 0.127 176.227 176.117 -0.028 0.000 1.008 469 I CA -0.372 60.981 61.300 0.088 0.000 1.104 469 I CB 2.087 40.176 38.000 0.148 0.000 1.264 469 I HN 0.491 nan 8.210 nan 0.000 0.438 470 T N 5.593 120.115 114.554 -0.053 0.000 2.786 470 T HA 0.495 4.846 4.350 0.002 0.000 0.283 470 T C -0.387 174.128 174.700 -0.308 0.000 0.992 470 T CA -0.483 61.533 62.100 -0.140 0.000 0.954 470 T CB 1.467 70.294 68.868 -0.068 0.000 0.934 470 T HN 0.143 nan 8.240 nan 0.000 0.440 471 V N 7.277 126.897 119.914 -0.489 0.000 2.347 471 V HA 0.351 4.473 4.120 0.002 0.000 0.280 471 V C -1.964 173.863 176.094 -0.445 0.000 1.021 471 V CA -2.186 59.595 62.300 -0.864 0.000 0.847 471 V CB 1.123 32.317 31.823 -1.048 0.000 0.990 471 V HN 0.694 nan 8.190 nan 0.000 0.444 472 P HA 0.094 nan 4.420 nan 0.000 0.268 472 P C -0.105 177.116 177.300 -0.132 0.000 1.208 472 P CA 0.063 63.085 63.100 -0.131 0.000 0.777 472 P CB 0.692 32.372 31.700 -0.033 0.000 0.875 473 A N 1.549 124.320 122.820 -0.081 0.000 2.448 473 A HA 0.435 4.756 4.320 0.002 0.000 0.239 473 A C 1.530 179.097 177.584 -0.030 0.000 1.080 473 A CA 0.685 52.687 52.037 -0.058 0.000 0.779 473 A CB -1.323 17.654 19.000 -0.037 0.000 1.026 473 A HN 0.887 nan 8.150 nan 0.000 0.499 474 G N 0.195 108.986 108.800 -0.015 0.000 2.199 474 G HA2 -0.216 3.745 3.960 0.002 0.000 0.254 474 G HA3 -0.216 3.745 3.960 0.002 0.000 0.254 474 G C 0.512 175.433 174.900 0.035 0.000 0.982 474 G CA 0.558 45.665 45.100 0.012 0.000 0.632 474 G HN 1.242 nan 8.290 nan 0.000 0.529 475 T N 2.530 117.096 114.554 0.019 0.000 2.902 475 T HA 0.407 4.758 4.350 0.002 0.000 0.301 475 T C 0.871 175.652 174.700 0.135 0.000 1.012 475 T CA 1.020 63.164 62.100 0.074 0.000 1.151 475 T CB 0.782 69.636 68.868 -0.024 0.000 0.946 475 T HN 0.282 nan 8.240 nan 0.000 0.542 476 T N 7.261 121.954 114.554 0.231 0.000 2.888 476 T HA 0.189 4.540 4.350 0.002 0.000 0.301 476 T C -2.075 172.799 174.700 0.290 0.000 1.001 476 T CA -0.850 61.382 62.100 0.220 0.000 1.147 476 T CB 0.415 69.413 68.868 0.218 0.000 0.931 476 T HN 0.339 nan 8.240 nan 0.000 0.541 477 P HA 0.446 nan 4.420 nan 0.000 0.268 477 P C 0.229 177.615 177.300 0.143 0.000 1.205 477 P CA 0.221 63.419 63.100 0.163 0.000 0.771 477 P CB 0.659 32.401 31.700 0.070 0.000 0.858 478 G N 1.655 110.550 108.800 0.159 0.000 2.315 478 G HA2 0.284 4.245 3.960 0.002 0.000 0.294 478 G HA3 0.284 4.245 3.960 0.002 0.000 0.294 478 G C -1.713 173.178 174.900 -0.015 0.000 1.300 478 G CA -0.894 44.173 45.100 -0.055 0.000 0.843 478 G HN 0.364 nan 8.290 nan 0.000 0.527 479 R N -0.042 120.353 120.500 -0.175 0.000 2.288 479 R HA 0.460 4.801 4.340 0.002 0.000 0.326 479 R C -1.481 174.715 176.300 -0.172 0.000 0.959 479 R CA -0.461 55.609 56.100 -0.050 0.000 0.834 479 R CB 1.409 31.682 30.300 -0.044 0.000 1.157 479 R HN 0.469 nan 8.270 nan 0.000 0.470 480 Y N 1.814 122.136 120.300 0.036 0.000 2.356 480 Y HA 0.282 4.834 4.550 0.002 0.000 0.334 480 Y C 0.618 176.445 175.900 -0.122 0.000 0.958 480 Y CA -0.760 57.318 58.100 -0.036 0.000 1.196 480 Y CB 1.228 39.708 38.460 0.033 0.000 1.137 480 Y HN 0.294 nan 8.280 nan 0.000 0.485 481 R N 2.589 123.057 120.500 -0.054 0.000 2.421 481 R HA 0.359 4.700 4.340 0.002 0.000 0.305 481 R C -1.275 174.896 176.300 -0.216 0.000 1.039 481 R CA -0.026 55.994 56.100 -0.133 0.000 1.003 481 R CB 0.255 30.492 30.300 -0.105 0.000 0.959 481 R HN 0.482 nan 8.270 nan 0.000 0.427 482 V N 4.111 123.788 119.914 -0.395 0.000 2.448 482 V HA 0.429 4.550 4.120 0.002 0.000 0.295 482 V C 0.651 176.580 176.094 -0.274 0.000 1.025 482 V CA -0.757 61.284 62.300 -0.431 0.000 0.859 482 V CB 1.770 33.131 31.823 -0.770 0.000 0.988 482 V HN 0.948 nan 8.190 nan 0.000 0.431 483 G N 3.032 111.773 108.800 -0.098 0.000 2.395 483 G HA2 0.663 4.624 3.960 0.002 0.000 0.283 483 G HA3 0.663 4.624 3.960 0.002 0.000 0.283 483 G C -0.399 174.580 174.900 0.132 0.000 1.178 483 G CA -0.060 45.048 45.100 0.014 0.000 0.837 483 G HN 1.119 nan 8.290 nan 0.000 0.518 484 A N 1.506 124.460 122.820 0.225 0.000 2.371 484 A HA 0.824 5.146 4.320 0.002 0.000 0.311 484 A C -0.165 177.639 177.584 0.367 0.000 1.068 484 A CA -0.587 51.651 52.037 0.334 0.000 0.744 484 A CB 1.799 21.110 19.000 0.517 0.000 1.239 484 A HN 0.625 nan 8.150 nan 0.000 0.435 485 T N 2.608 117.327 114.554 0.274 0.000 2.815 485 T HA 0.423 4.775 4.350 0.002 0.000 0.289 485 T C -0.613 174.138 174.700 0.085 0.000 1.000 485 T CA -0.225 62.004 62.100 0.216 0.000 0.958 485 T CB 0.838 69.769 68.868 0.105 0.000 0.944 485 T HN 0.609 nan 8.240 nan 0.000 0.442 486 L N 5.076 126.296 121.223 -0.005 0.000 2.313 486 L HA 0.449 4.790 4.340 0.002 0.000 0.282 486 L C -0.016 176.807 176.870 -0.077 0.000 1.092 486 L CA 0.199 54.898 54.840 -0.236 0.000 0.831 486 L CB 0.004 41.746 42.059 -0.528 0.000 1.159 486 L HN 0.500 nan 8.230 nan 0.000 0.442 487 R N 3.509 123.967 120.500 -0.071 0.000 2.445 487 R HA 0.690 5.031 4.340 0.002 0.000 0.308 487 R C -0.486 175.791 176.300 -0.039 0.000 0.961 487 R CA -0.469 55.611 56.100 -0.034 0.000 0.862 487 R CB 1.693 31.981 30.300 -0.021 0.000 1.144 487 R HN 0.787 nan 8.270 nan 0.000 0.447 488 T N -2.449 112.091 114.554 -0.022 0.000 2.864 488 T HA 0.140 4.492 4.350 0.002 0.000 0.299 488 T C 1.071 175.769 174.700 -0.003 0.000 1.166 488 T CA -0.647 61.443 62.100 -0.016 0.000 1.007 488 T CB 1.632 70.489 68.868 -0.017 0.000 1.219 488 T HN 0.469 nan 8.240 nan 0.000 0.506 489 S N 0.203 115.903 115.700 -0.000 0.000 2.469 489 S HA 0.074 4.545 4.470 0.002 0.000 0.238 489 S C 1.744 176.354 174.600 0.016 0.000 0.998 489 S CA 0.504 58.709 58.200 0.008 0.000 0.957 489 S CB -0.668 62.537 63.200 0.008 0.000 0.764 489 S HN 1.203 nan 8.310 nan 0.000 0.514 490 A N 0.582 123.412 122.820 0.017 0.000 2.423 490 A HA 0.683 5.004 4.320 0.002 0.000 0.246 490 A C 0.980 178.584 177.584 0.033 0.000 1.278 490 A CA 0.062 52.116 52.037 0.028 0.000 0.903 490 A CB -0.468 18.548 19.000 0.027 0.000 0.997 490 A HN 1.415 nan 8.150 nan 0.000 0.510 491 G N -0.377 108.437 108.800 0.024 0.000 2.392 491 G HA2 0.110 4.071 3.960 0.002 0.000 0.677 491 G HA3 0.110 4.071 3.960 0.002 0.000 0.677 491 G C -1.635 173.276 174.900 0.019 0.000 1.334 491 G CA -0.865 44.250 45.100 0.024 0.000 0.961 491 G HN 0.278 nan 8.290 nan 0.000 0.616 492 N N -0.328 118.384 118.700 0.020 0.000 2.362 492 N HA 0.892 5.633 4.740 0.002 0.000 0.299 492 N C 0.126 175.679 175.510 0.072 0.000 1.170 492 N CA 0.312 53.382 53.050 0.032 0.000 0.825 492 N CB 1.989 40.487 38.487 0.018 0.000 1.299 492 N HN 1.408 nan 8.380 nan 0.000 0.502 493 A N -0.125 122.775 122.820 0.133 0.000 2.479 493 A HA 0.850 5.171 4.320 0.002 0.000 0.296 493 A C -0.744 177.058 177.584 0.363 0.000 1.121 493 A CA -0.534 51.642 52.037 0.233 0.000 0.743 493 A CB 1.004 20.191 19.000 0.311 0.000 1.323 493 A HN 0.696 nan 8.150 nan 0.000 0.415 494 S N -0.566 115.294 115.700 0.268 0.000 2.618 494 S HA 0.905 5.376 4.470 0.002 0.000 0.277 494 S C -0.429 174.061 174.600 -0.184 0.000 1.138 494 S CA -0.154 58.156 58.200 0.183 0.000 0.844 494 S CB 1.755 65.022 63.200 0.113 0.000 1.127 494 S HN 1.542 nan 8.310 nan 0.000 0.474 495 T N 0.188 114.563 114.554 -0.298 0.000 2.681 495 T HA 0.846 5.198 4.350 0.002 0.000 0.296 495 T C -1.152 173.515 174.700 -0.054 0.000 1.157 495 T CA 0.071 61.984 62.100 -0.310 0.000 1.025 495 T CB 1.346 69.805 68.868 -0.682 0.000 1.441 495 T HN 1.380 nan 8.240 nan 0.000 0.504 496 T N -0.062 114.495 114.554 0.006 0.000 2.887 496 T HA 0.873 5.224 4.350 0.002 0.000 0.292 496 T C -1.126 173.723 174.700 0.248 0.000 1.087 496 T CA -0.825 61.337 62.100 0.103 0.000 1.009 496 T CB 1.551 70.424 68.868 0.010 0.000 1.203 496 T HN 0.889 nan 8.240 nan 0.000 0.518 497 F N -1.882 118.075 119.950 0.012 0.000 2.686 497 F HA 0.759 5.287 4.527 0.002 0.000 0.311 497 F C -1.159 174.678 175.800 0.061 0.000 1.128 497 F CA -1.128 56.890 58.000 0.029 0.000 0.946 497 F CB 1.318 40.342 39.000 0.040 0.000 1.336 497 F HN 0.612 nan 8.300 nan 0.000 0.457 498 T N 2.111 116.715 114.554 0.083 0.000 2.779 498 T HA 0.578 4.929 4.350 0.002 0.000 0.280 498 T C -0.836 173.938 174.700 0.123 0.000 0.987 498 T CA -0.626 61.484 62.100 0.017 0.000 0.966 498 T CB 1.612 70.511 68.868 0.051 0.000 0.933 498 T HN 0.559 nan 8.240 nan 0.000 0.442 499 V N 4.015 124.007 119.914 0.130 0.000 2.350 499 V HA 0.326 4.447 4.120 0.002 0.000 0.276 499 V C 0.542 176.805 176.094 0.282 0.000 1.028 499 V CA -0.649 61.794 62.300 0.238 0.000 0.860 499 V CB 1.167 33.184 31.823 0.323 0.000 0.990 499 V HN 0.932 nan 8.190 nan 0.000 0.453 500 T N 5.212 119.882 114.554 0.193 0.000 2.743 500 T HA 0.456 4.807 4.350 0.002 0.000 0.293 500 T C -0.120 174.672 174.700 0.152 0.000 0.945 500 T CA -0.146 62.059 62.100 0.175 0.000 1.030 500 T CB 1.122 70.050 68.868 0.101 0.000 0.912 500 T HN 0.368 nan 8.240 nan 0.000 0.483 501 V N 3.202 123.248 119.914 0.220 0.000 2.417 501 V HA 0.602 4.724 4.120 0.002 0.000 0.291 501 V C 1.178 177.335 176.094 0.105 0.000 1.024 501 V CA -0.281 62.092 62.300 0.122 0.000 0.861 501 V CB 1.093 32.990 31.823 0.122 0.000 0.985 501 V HN 1.146 nan 8.190 nan 0.000 0.436 502 G N 4.701 113.525 108.800 0.040 0.000 2.203 502 G HA2 -0.229 3.732 3.960 0.002 0.000 0.263 502 G HA3 -0.229 3.732 3.960 0.002 0.000 0.263 502 G C -0.185 174.729 174.900 0.023 0.000 1.012 502 G CA 0.496 45.613 45.100 0.027 0.000 0.749 502 G HN 0.549 nan 8.290 nan 0.000 0.512 503 L N -0.264 120.973 121.223 0.023 0.000 2.365 503 L HA 0.564 4.905 4.340 0.002 0.000 0.273 503 L C 0.986 177.842 176.870 -0.024 0.000 1.000 503 L CA -1.182 53.660 54.840 0.005 0.000 0.819 503 L CB 1.689 43.759 42.059 0.018 0.000 1.284 503 L HN -0.023 nan 8.230 nan 0.000 0.418 504 L N 1.352 122.538 121.223 -0.061 0.000 2.464 504 L HA 0.119 4.460 4.340 0.002 0.000 0.264 504 L C 0.298 177.117 176.870 -0.084 0.000 1.199 504 L CA -0.192 54.570 54.840 -0.129 0.000 0.818 504 L CB 0.453 42.377 42.059 -0.225 0.000 1.102 504 L HN 0.565 nan 8.230 nan 0.000 0.473 505 D N 1.205 121.548 120.400 -0.095 0.000 2.359 505 D HA 0.024 4.665 4.640 0.002 0.000 0.250 505 D C 0.958 177.235 176.300 -0.038 0.000 1.264 505 D CA 0.224 54.198 54.000 -0.044 0.000 0.911 505 D CB 0.926 41.712 40.800 -0.024 0.000 1.056 505 D HN 0.405 nan 8.370 nan 0.000 0.499 506 Q N 2.496 122.283 119.800 -0.023 0.000 2.248 506 Q HA -0.203 4.139 4.340 0.002 0.000 0.208 506 Q C 1.719 177.713 176.000 -0.011 0.000 0.984 506 Q CA 1.457 57.251 55.803 -0.015 0.000 0.875 506 Q CB 0.026 28.760 28.738 -0.006 0.000 0.910 506 Q HN 0.611 nan 8.270 nan 0.000 0.433 507 A N 0.894 123.710 122.820 -0.007 0.000 2.067 507 A HA -0.118 4.203 4.320 0.002 0.000 0.219 507 A C 1.817 179.400 177.584 -0.002 0.000 1.158 507 A CA 0.803 52.838 52.037 -0.003 0.000 0.661 507 A CB -0.056 18.945 19.000 0.001 0.000 0.801 507 A HN 0.133 nan 8.150 nan 0.000 0.452 508 R N -1.064 119.433 120.500 -0.005 0.000 2.276 508 R HA 0.246 4.587 4.340 0.002 0.000 0.196 508 R C 0.372 176.667 176.300 -0.008 0.000 0.961 508 R CA 0.137 56.237 56.100 0.000 0.000 1.024 508 R CB -0.286 30.021 30.300 0.012 0.000 0.940 508 R HN 0.520 nan 8.270 nan 0.000 0.480 509 M N 0.329 119.920 119.600 -0.014 0.000 2.267 509 M HA 0.125 4.607 4.480 0.002 0.000 0.303 509 M C 0.446 176.742 176.300 -0.006 0.000 1.164 509 M CA -0.009 55.282 55.300 -0.016 0.000 1.060 509 M CB 1.523 34.115 32.600 -0.014 0.000 1.455 509 M HN -0.069 nan 8.290 nan 0.000 0.483 510 S N -0.143 115.557 115.700 0.001 0.000 2.625 510 S HA 0.589 5.060 4.470 0.002 0.000 0.271 510 S C -0.900 173.714 174.600 0.024 0.000 1.161 510 S CA -1.113 57.093 58.200 0.011 0.000 0.820 510 S CB 1.003 64.214 63.200 0.018 0.000 1.137 510 S HN 0.477 nan 8.310 nan 0.000 0.470 511 I N 2.176 122.752 120.570 0.011 0.000 2.436 511 I HA 0.280 4.451 4.170 0.002 0.000 0.289 511 I C 1.483 177.633 176.117 0.055 0.000 1.083 511 I CA -0.162 61.139 61.300 0.002 0.000 1.372 511 I CB 0.249 38.218 38.000 -0.052 0.000 1.408 511 I HN 0.990 nan 8.210 nan 0.000 0.516 512 A N 6.162 129.057 122.820 0.124 0.000 1.898 512 A HA -0.004 4.317 4.320 0.002 0.000 0.214 512 A C 0.412 178.056 177.584 0.100 0.000 1.183 512 A CA 1.144 53.296 52.037 0.191 0.000 0.622 512 A CB -0.149 19.091 19.000 0.399 0.000 0.824 512 A HN 0.812 nan 8.150 nan 0.000 0.444 513 D N -4.514 115.912 120.400 0.042 0.000 2.671 513 D HA 0.530 5.171 4.640 0.002 0.000 0.273 513 D C -1.031 175.209 176.300 -0.099 0.000 1.264 513 D CA -0.363 53.627 54.000 -0.018 0.000 0.788 513 D CB 1.619 42.413 40.800 -0.008 0.000 1.324 513 D HN 0.432 nan 8.370 nan 0.000 0.424 514 V N 0.307 120.163 119.914 -0.096 0.000 3.077 514 V HA 0.320 4.441 4.120 0.002 0.000 0.299 514 V C -0.516 175.577 176.094 -0.002 0.000 1.276 514 V CA -0.353 61.868 62.300 -0.131 0.000 0.993 514 V CB 2.104 33.788 31.823 -0.232 0.000 1.076 514 V HN 0.873 nan 8.190 nan 0.000 0.434 515 D N 2.680 123.130 120.400 0.085 0.000 2.149 515 D HA 0.043 4.684 4.640 0.002 0.000 0.201 515 D C 0.616 177.007 176.300 0.152 0.000 0.972 515 D CA 1.219 55.295 54.000 0.126 0.000 0.835 515 D CB 0.751 41.661 40.800 0.183 0.000 0.966 515 D HN 0.529 nan 8.370 nan 0.000 0.476 516 S N -0.692 115.144 115.700 0.228 0.000 2.548 516 S HA 0.369 4.840 4.470 0.002 0.000 0.278 516 S C -2.122 172.674 174.600 0.327 0.000 1.150 516 S CA -0.808 57.512 58.200 0.199 0.000 0.907 516 S CB 1.486 64.766 63.200 0.134 0.000 1.108 516 S HN 0.393 nan 8.310 nan 0.000 0.459 517 E N 1.941 122.274 120.200 0.222 0.000 2.335 517 E HA 0.505 4.856 4.350 0.002 0.000 0.280 517 E C -1.366 175.277 176.600 0.072 0.000 0.918 517 E CA -0.919 55.645 56.400 0.273 0.000 0.765 517 E CB 1.483 31.374 29.700 0.318 0.000 1.218 517 E HN 0.367 nan 8.360 nan 0.000 0.425 518 E N 1.444 121.662 120.200 0.030 0.000 2.229 518 E HA 0.235 4.586 4.350 0.002 0.000 0.283 518 E C -0.022 176.508 176.600 -0.117 0.000 1.030 518 E CA 0.003 56.268 56.400 -0.224 0.000 0.836 518 E CB 1.238 30.583 29.700 -0.591 0.000 1.068 518 E HN 0.665 nan 8.360 nan 0.000 0.401 519 T N 0.652 115.108 114.554 -0.163 0.000 3.016 519 T HA 0.389 4.740 4.350 0.002 0.000 0.271 519 T C 1.155 175.778 174.700 -0.127 0.000 0.968 519 T CA 0.244 62.285 62.100 -0.099 0.000 0.891 519 T CB 0.529 69.362 68.868 -0.058 0.000 1.149 519 T HN 0.283 nan 8.240 nan 0.000 0.524 520 A N 2.105 124.801 122.820 -0.207 0.000 1.909 520 A HA 0.423 4.744 4.320 0.002 0.000 0.209 520 A C 2.266 179.753 177.584 -0.161 0.000 1.247 520 A CA 0.239 52.170 52.037 -0.177 0.000 0.660 520 A CB -0.115 18.760 19.000 -0.207 0.000 0.910 520 A HN 0.301 nan 8.150 nan 0.000 0.465 521 R N -0.433 119.921 120.500 -0.244 0.000 2.334 521 R HA 0.195 4.536 4.340 0.002 0.000 0.212 521 R C 0.066 176.393 176.300 0.046 0.000 0.897 521 R CA 0.730 56.768 56.100 -0.103 0.000 1.056 521 R CB 0.391 30.628 30.300 -0.105 0.000 1.046 521 R HN 0.814 nan 8.270 nan 0.000 0.513 522 E N -1.036 119.177 120.200 0.022 0.000 2.442 522 E HA 0.024 4.376 4.350 0.002 0.000 0.278 522 E C -1.633 174.986 176.600 0.032 0.000 1.082 522 E CA -0.789 55.671 56.400 0.101 0.000 0.861 522 E CB 0.682 30.538 29.700 0.261 0.000 1.462 522 E HN -0.201 nan 8.360 nan 0.000 0.458 523 D N 0.512 120.905 120.400 -0.013 0.000 2.558 523 D HA 0.264 4.906 4.640 0.002 0.000 0.221 523 D C 0.159 176.412 176.300 -0.078 0.000 1.143 523 D CA 0.027 53.995 54.000 -0.054 0.000 1.010 523 D CB 0.055 40.803 40.800 -0.087 0.000 1.068 523 D HN 0.566 nan 8.370 nan 0.000 0.511 524 G N 2.446 111.282 108.800 0.060 0.000 3.518 524 G HA2 0.012 3.973 3.960 0.002 0.000 0.273 524 G HA3 0.012 3.973 3.960 0.002 0.000 0.273 524 G C 0.721 175.785 174.900 0.274 0.000 1.199 524 G CA -0.516 44.704 45.100 0.200 0.000 0.899 524 G HN 0.261 nan 8.290 nan 0.000 0.533 525 R N 0.066 120.656 120.500 0.151 0.000 2.585 525 R HA 0.186 4.528 4.340 0.002 0.000 0.275 525 R C 1.769 178.193 176.300 0.205 0.000 1.018 525 R CA 0.299 56.486 56.100 0.145 0.000 1.072 525 R CB 0.733 31.064 30.300 0.051 0.000 0.953 525 R HN 0.211 nan 8.270 nan 0.000 0.419 526 A N 2.396 125.277 122.820 0.102 0.000 1.948 526 A HA -0.241 4.080 4.320 0.002 0.000 0.220 526 A C 2.015 179.538 177.584 -0.101 0.000 1.177 526 A CA 2.187 54.079 52.037 -0.241 0.000 0.636 526 A CB -0.598 18.130 19.000 -0.452 0.000 0.815 526 A HN 0.863 nan 8.150 nan 0.000 0.449 527 S N 0.278 115.956 115.700 -0.036 0.000 2.500 527 S HA -0.154 4.317 4.470 0.002 0.000 0.239 527 S C 1.379 175.987 174.600 0.014 0.000 0.989 527 S CA 1.161 59.351 58.200 -0.016 0.000 0.951 527 S CB -0.635 62.559 63.200 -0.010 0.000 0.759 527 S HN 0.587 nan 8.310 nan 0.000 0.523 528 N N 2.036 120.766 118.700 0.049 0.000 2.453 528 N HA -0.043 4.698 4.740 0.002 0.000 0.183 528 N C 1.780 177.337 175.510 0.079 0.000 1.041 528 N CA 1.264 54.347 53.050 0.054 0.000 0.900 528 N CB -0.576 37.941 38.487 0.049 0.000 0.961 528 N HN 0.667 nan 8.380 nan 0.000 0.443 529 V N -0.360 119.613 119.914 0.098 0.000 3.141 529 V HA 0.004 4.126 4.120 0.002 0.000 0.265 529 V C 1.371 177.493 176.094 0.046 0.000 1.126 529 V CA 1.054 63.412 62.300 0.097 0.000 1.141 529 V CB -0.832 31.059 31.823 0.114 0.000 0.743 529 V HN 0.354 nan 8.190 nan 0.000 0.492 530 I N -1.537 119.048 120.570 0.026 0.000 3.833 530 I HA 0.429 4.601 4.170 0.002 0.000 0.328 530 I C 0.944 177.065 176.117 0.007 0.000 1.554 530 I CA 0.193 61.501 61.300 0.012 0.000 1.116 530 I CB 0.244 38.247 38.000 0.005 0.000 1.182 530 I HN 0.227 nan 8.210 nan 0.000 0.459 531 D N 1.031 121.437 120.400 0.009 0.000 2.339 531 D HA 0.140 4.781 4.640 0.002 0.000 0.217 531 D C 1.646 177.948 176.300 0.002 0.000 1.050 531 D CA 0.624 54.626 54.000 0.003 0.000 0.856 531 D CB 0.261 41.061 40.800 -0.000 0.000 0.922 531 D HN 0.456 nan 8.370 nan 0.000 0.518 532 G N 0.466 109.269 108.800 0.004 0.000 2.184 532 G HA2 -0.318 3.643 3.960 0.002 0.000 0.264 532 G HA3 -0.318 3.643 3.960 0.002 0.000 0.264 532 G C 0.063 174.965 174.900 0.003 0.000 0.975 532 G CA 0.170 45.271 45.100 0.002 0.000 0.642 532 G HN 0.580 nan 8.290 nan 0.000 0.536 533 N N 0.754 119.458 118.700 0.007 0.000 2.426 533 N HA 0.464 5.206 4.740 0.002 0.000 0.257 533 N C -1.178 174.345 175.510 0.021 0.000 1.002 533 N CA -1.964 51.094 53.050 0.013 0.000 0.942 533 N CB 1.857 40.348 38.487 0.008 0.000 1.112 533 N HN 0.006 nan 8.380 nan 0.000 0.499 534 P HA 0.059 nan 4.420 nan 0.000 0.229 534 P C 0.777 178.109 177.300 0.054 0.000 1.160 534 P CA 0.656 63.767 63.100 0.018 0.000 0.777 534 P CB 0.466 32.162 31.700 -0.006 0.000 0.814 535 S N -1.218 114.517 115.700 0.059 0.000 2.522 535 S HA 0.012 4.483 4.470 0.002 0.000 0.227 535 S C 1.008 175.657 174.600 0.081 0.000 0.986 535 S CA 0.745 58.995 58.200 0.084 0.000 0.929 535 S CB -0.714 62.521 63.200 0.059 0.000 0.769 535 S HN 0.359 nan 8.310 nan 0.000 0.529 536 T N 0.844 115.413 114.554 0.025 0.000 2.895 536 T HA 0.713 5.064 4.350 0.002 0.000 0.283 536 T C -0.565 174.140 174.700 0.009 0.000 1.014 536 T CA -0.895 61.133 62.100 -0.118 0.000 1.037 536 T CB 1.203 70.006 68.868 -0.108 0.000 1.006 536 T HN 0.151 nan 8.240 nan 0.000 0.468 537 F N -1.162 118.836 119.950 0.080 0.000 2.613 537 F HA 0.720 5.248 4.527 0.002 0.000 0.310 537 F C -1.005 174.924 175.800 0.215 0.000 1.085 537 F CA -2.247 55.822 58.000 0.115 0.000 0.945 537 F CB 0.770 39.803 39.000 0.054 0.000 1.298 537 F HN 0.800 nan 8.300 nan 0.000 0.455 538 W N 4.257 125.708 121.300 0.252 0.000 2.253 538 W HA 0.408 5.070 4.660 0.002 0.000 0.322 538 W C -1.182 175.565 176.519 0.381 0.000 1.342 538 W CA -0.036 57.444 57.345 0.225 0.000 1.218 538 W CB 0.134 29.678 29.460 0.140 0.000 1.205 538 W HN 0.731 nan 8.180 nan 0.000 0.551 539 H N 4.317 123.378 119.070 -0.015 0.000 2.679 539 H HA 0.287 4.844 4.556 0.002 0.000 0.360 539 H C -0.145 174.970 175.328 -0.355 0.000 1.105 539 H CA -0.188 55.733 56.048 -0.212 0.000 1.196 539 H CB 1.611 31.530 29.762 0.261 0.000 1.636 539 H HN 0.472 nan 8.280 nan 0.000 0.531 540 T N 0.894 115.269 114.554 -0.298 0.000 2.856 540 T HA 0.061 4.412 4.350 0.002 0.000 0.306 540 T C 0.528 175.311 174.700 0.138 0.000 1.062 540 T CA -0.780 61.234 62.100 -0.143 0.000 1.083 540 T CB 0.935 69.445 68.868 -0.595 0.000 0.984 540 T HN 0.642 nan 8.240 nan 0.000 0.542 541 E N 1.084 121.305 120.200 0.036 0.000 2.414 541 E HA 0.102 4.453 4.350 0.002 0.000 0.263 541 E C -0.168 176.371 176.600 -0.102 0.000 1.000 541 E CA -0.367 55.971 56.400 -0.103 0.000 0.914 541 E CB 0.261 29.910 29.700 -0.086 0.000 0.948 541 E HN 0.907 nan 8.360 nan 0.000 0.444 542 W N 2.935 124.001 121.300 -0.389 0.000 2.413 542 W HA 0.202 4.862 4.660 0.001 0.000 0.288 542 W C 1.224 177.639 176.519 -0.174 0.000 0.958 542 W CA 0.308 57.359 57.345 -0.490 0.000 1.333 542 W CB -0.503 28.245 29.460 -1.186 0.000 1.002 542 W HN 0.425 nan 8.180 nan 0.000 0.562 543 S N 0.776 115.921 115.700 -0.924 0.000 2.561 543 S HA 0.240 4.711 4.470 0.002 0.000 0.225 543 S C 0.726 175.209 174.600 -0.194 0.000 0.977 543 S CA -0.053 57.822 58.200 -0.542 0.000 0.926 543 S CB -0.307 62.493 63.200 -0.666 0.000 0.769 543 S HN 0.265 nan 8.310 nan 0.000 0.533 544 R N -0.168 120.250 120.500 -0.136 0.000 2.604 544 R HA 0.688 5.030 4.340 0.002 0.000 0.287 544 R C 1.131 177.464 176.300 0.055 0.000 0.970 544 R CA 0.063 56.144 56.100 -0.031 0.000 0.946 544 R CB 1.072 31.350 30.300 -0.036 0.000 1.127 544 R HN 0.181 nan 8.270 nan 0.000 0.473 545 A N 1.506 124.365 122.820 0.064 0.000 2.015 545 A HA -0.171 4.150 4.320 0.002 0.000 0.219 545 A C 1.089 178.729 177.584 0.094 0.000 1.163 545 A CA 1.774 53.867 52.037 0.093 0.000 0.646 545 A CB -0.342 18.698 19.000 0.067 0.000 0.806 545 A HN 0.848 nan 8.150 nan 0.000 0.448 546 D N -0.139 120.302 120.400 0.069 0.000 2.319 546 D HA 0.388 5.029 4.640 0.002 0.000 0.230 546 D C 0.627 176.978 176.300 0.086 0.000 1.094 546 D CA 0.341 54.381 54.000 0.066 0.000 0.856 546 D CB -0.665 40.160 40.800 0.043 0.000 0.915 546 D HN 0.381 nan 8.370 nan 0.000 0.517 547 A N 1.642 124.532 122.820 0.117 0.000 2.507 547 A HA 0.396 4.717 4.320 0.002 0.000 0.235 547 A C -2.037 175.661 177.584 0.191 0.000 1.070 547 A CA -0.804 51.328 52.037 0.158 0.000 0.768 547 A CB -0.192 18.940 19.000 0.221 0.000 1.011 547 A HN 0.190 nan 8.150 nan 0.000 0.502 548 P HA 0.341 nan 4.420 nan 0.000 0.282 548 P C 0.440 177.919 177.300 0.299 0.000 1.249 548 P CA 0.093 63.316 63.100 0.205 0.000 0.806 548 P CB 1.172 32.990 31.700 0.195 0.000 0.984 549 G N 1.459 110.348 108.800 0.147 0.000 2.489 549 G HA2 0.200 4.162 3.960 0.002 0.000 0.271 549 G HA3 0.200 4.162 3.960 0.002 0.000 0.271 549 G C -0.687 174.013 174.900 -0.333 0.000 1.427 549 G CA -0.492 44.650 45.100 0.069 0.000 1.057 549 G HN 0.388 nan 8.290 nan 0.000 0.532 550 Y N 0.475 120.489 120.300 -0.476 0.000 2.314 550 Y HA 0.315 4.866 4.550 0.002 0.000 0.334 550 Y C -1.263 174.474 175.900 -0.272 0.000 1.266 550 Y CA -1.070 56.678 58.100 -0.587 0.000 1.391 550 Y CB 0.345 38.627 38.460 -0.296 0.000 1.306 550 Y HN 0.226 nan 8.280 nan 0.000 0.558 551 P HA 0.153 nan 4.420 nan 0.000 0.271 551 P C -1.311 175.850 177.300 -0.232 0.000 1.218 551 P CA 0.006 63.078 63.100 -0.047 0.000 0.780 551 P CB 0.539 32.259 31.700 0.032 0.000 0.901 552 H N -0.026 119.053 119.070 0.015 0.000 2.676 552 H HA 0.724 5.281 4.556 0.002 0.000 0.352 552 H C 0.285 175.717 175.328 0.173 0.000 1.193 552 H CA -0.995 55.080 56.048 0.045 0.000 1.243 552 H CB 1.871 31.569 29.762 -0.107 0.000 1.751 552 H HN 0.304 nan 8.280 nan 0.000 0.567 553 R N 1.813 122.530 120.500 0.362 0.000 2.535 553 R HA 0.458 4.799 4.340 0.002 0.000 0.274 553 R C -2.229 174.057 176.300 -0.024 0.000 1.090 553 R CA -0.653 55.531 56.100 0.140 0.000 0.930 553 R CB 1.652 31.946 30.300 -0.009 0.000 1.223 553 R HN 0.734 nan 8.270 nan 0.000 0.441 554 I N 2.596 123.074 120.570 -0.153 0.000 2.534 554 I HA 0.416 4.587 4.170 0.002 0.000 0.288 554 I C -1.492 174.513 176.117 -0.186 0.000 1.077 554 I CA -0.325 60.747 61.300 -0.379 0.000 1.051 554 I CB 2.433 39.936 38.000 -0.829 0.000 1.234 554 I HN 0.702 nan 8.210 nan 0.000 0.425 555 S N 7.627 123.242 115.700 -0.143 0.000 2.502 555 S HA 0.659 5.130 4.470 0.002 0.000 0.304 555 S C -0.761 173.897 174.600 0.097 0.000 1.097 555 S CA -0.672 57.531 58.200 0.004 0.000 1.045 555 S CB 1.683 64.886 63.200 0.005 0.000 1.019 555 S HN 0.446 nan 8.310 nan 0.000 0.481 556 L N 2.294 123.623 121.223 0.177 0.000 2.329 556 L HA 0.533 4.875 4.340 0.002 0.000 0.279 556 L C -0.379 176.622 176.870 0.218 0.000 1.014 556 L CA -0.893 54.034 54.840 0.145 0.000 0.814 556 L CB 1.251 43.367 42.059 0.095 0.000 1.257 556 L HN 0.529 nan 8.230 nan 0.000 0.424 557 D N 2.659 123.132 120.400 0.122 0.000 2.249 557 D HA 0.238 4.879 4.640 0.002 0.000 0.246 557 D C 0.502 176.720 176.300 -0.136 0.000 1.114 557 D CA -0.145 53.773 54.000 -0.136 0.000 0.854 557 D CB 1.778 42.544 40.800 -0.057 0.000 1.132 557 D HN 0.420 nan 8.370 nan 0.000 0.461 558 L N 2.812 123.915 121.223 -0.200 0.000 2.567 558 L HA 0.213 4.554 4.340 0.002 0.000 0.225 558 L C 1.774 178.629 176.870 -0.025 0.000 1.119 558 L CA 0.394 55.191 54.840 -0.071 0.000 0.871 558 L CB -0.040 42.016 42.059 -0.005 0.000 1.036 558 L HN 0.769 nan 8.230 nan 0.000 0.459 559 G N -0.192 108.558 108.800 -0.083 0.000 2.176 559 G HA2 -0.162 3.799 3.960 0.002 0.000 0.253 559 G HA3 -0.162 3.799 3.960 0.002 0.000 0.253 559 G C 0.418 175.310 174.900 -0.014 0.000 0.979 559 G CA -0.102 44.977 45.100 -0.036 0.000 0.641 559 G HN 0.703 nan 8.290 nan 0.000 0.530 560 G N -2.329 106.465 108.800 -0.011 0.000 2.342 560 G HA2 0.612 4.573 3.960 0.002 0.000 0.297 560 G HA3 0.612 4.573 3.960 0.002 0.000 0.297 560 G C -0.784 174.062 174.900 -0.090 0.000 1.313 560 G CA 0.479 45.538 45.100 -0.069 0.000 0.830 560 G HN 0.835 nan 8.290 nan 0.000 0.506 561 T N 0.805 115.244 114.554 -0.192 0.000 2.817 561 T HA 0.638 4.990 4.350 0.002 0.000 0.293 561 T C -0.718 173.795 174.700 -0.312 0.000 0.964 561 T CA 0.275 62.289 62.100 -0.143 0.000 1.085 561 T CB 0.695 69.509 68.868 -0.091 0.000 0.921 561 T HN 0.500 nan 8.240 nan 0.000 0.502 562 H N 0.124 119.196 119.070 0.004 0.000 2.806 562 H HA 0.367 4.925 4.556 0.002 0.000 0.367 562 H C -0.214 175.140 175.328 0.043 0.000 1.136 562 H CA -0.652 55.407 56.048 0.019 0.000 1.178 562 H CB 1.266 31.040 29.762 0.020 0.000 1.718 562 H HN 0.459 nan 8.280 nan 0.000 0.540 563 T N 4.435 119.082 114.554 0.155 0.000 2.769 563 T HA 0.311 4.663 4.350 0.002 0.000 0.293 563 T C 0.407 175.191 174.700 0.140 0.000 0.931 563 T CA -0.087 62.088 62.100 0.126 0.000 1.139 563 T CB -0.724 68.194 68.868 0.083 0.000 0.881 563 T HN 0.426 nan 8.240 nan 0.000 0.532 564 I N 0.054 120.724 120.570 0.167 0.000 2.785 564 I HA 0.758 4.929 4.170 0.002 0.000 0.302 564 I C 0.390 176.576 176.117 0.115 0.000 1.069 564 I CA -1.022 60.373 61.300 0.157 0.000 1.045 564 I CB 2.551 40.700 38.000 0.247 0.000 1.236 564 I HN 0.513 nan 8.210 nan 0.000 0.429 565 S N 1.313 116.913 115.700 -0.167 0.000 2.904 565 S HA 0.648 5.119 4.470 0.002 0.000 0.260 565 S C 0.120 174.052 174.600 -1.114 0.000 1.000 565 S CA 0.062 57.902 58.200 -0.600 0.000 1.274 565 S CB 0.245 63.294 63.200 -0.252 0.000 1.196 565 S HN 1.411 nan 8.310 nan 0.000 0.678 566 G N 0.685 108.991 108.800 -0.822 0.000 2.506 566 G HA2 0.586 4.547 3.960 0.002 0.000 0.292 566 G HA3 0.586 4.547 3.960 0.002 0.000 0.292 566 G C -2.456 172.444 174.900 -0.000 0.000 1.425 566 G CA -0.645 44.170 45.100 -0.476 0.000 0.788 566 G HN 0.608 nan 8.290 nan 0.000 0.490 567 L N -0.672 120.625 121.223 0.123 0.000 2.409 567 L HA 0.746 5.087 4.340 0.002 0.000 0.262 567 L C -0.780 176.161 176.870 0.119 0.000 0.992 567 L CA -0.495 54.444 54.840 0.166 0.000 0.817 567 L CB 2.286 44.498 42.059 0.256 0.000 1.350 567 L HN 0.615 nan 8.230 nan 0.000 0.411 568 Q N 3.438 123.287 119.800 0.083 0.000 2.330 568 Q HA 0.332 4.673 4.340 0.002 0.000 0.269 568 Q C -1.892 174.123 176.000 0.025 0.000 1.022 568 Q CA -0.636 55.194 55.803 0.044 0.000 0.796 568 Q CB 2.723 31.464 28.738 0.005 0.000 1.271 568 Q HN 0.628 nan 8.270 nan 0.000 0.450 569 Y N 1.077 121.240 120.300 -0.228 0.000 2.341 569 Y HA 0.453 5.004 4.550 0.002 0.000 0.337 569 Y C -1.031 174.683 175.900 -0.311 0.000 1.014 569 Y CA -0.299 57.591 58.100 -0.351 0.000 1.111 569 Y CB 1.674 39.632 38.460 -0.838 0.000 1.194 569 Y HN 0.432 nan 8.280 nan 0.000 0.462 570 T N 7.360 121.462 114.554 -0.752 0.000 2.815 570 T HA 0.352 4.703 4.350 0.002 0.000 0.289 570 T C -0.524 173.616 174.700 -0.934 0.000 1.000 570 T CA -0.932 60.709 62.100 -0.765 0.000 0.958 570 T CB 0.378 69.042 68.868 -0.340 0.000 0.944 570 T HN 0.818 nan 8.240 nan 0.000 0.442 571 R N 2.391 122.238 120.500 -1.089 0.000 2.811 571 R HA 0.210 4.551 4.340 0.002 0.000 0.265 571 R C 0.296 176.425 176.300 -0.284 0.000 1.026 571 R CA -0.638 55.113 56.100 -0.581 0.000 1.142 571 R CB 0.726 30.852 30.300 -0.290 0.000 1.027 571 R HN 0.491 nan 8.270 nan 0.000 0.465 572 R N 1.091 121.464 120.500 -0.211 0.000 2.504 572 R HA -0.118 4.223 4.340 0.002 0.000 0.291 572 R C 0.555 176.737 176.300 -0.196 0.000 0.974 572 R CA 0.252 56.207 56.100 -0.242 0.000 1.077 572 R CB 0.609 30.637 30.300 -0.452 0.000 0.926 572 R HN 0.699 nan 8.270 nan 0.000 0.407 573 Q N 2.079 121.801 119.800 -0.131 0.000 2.269 573 Q HA -0.083 4.258 4.340 0.002 0.000 0.201 573 Q C 0.558 176.498 176.000 -0.099 0.000 0.946 573 Q CA 1.091 56.834 55.803 -0.099 0.000 0.877 573 Q CB 0.160 28.867 28.738 -0.052 0.000 0.963 573 Q HN 0.714 nan 8.270 nan 0.000 0.472 574 N N -0.892 117.736 118.700 -0.121 0.000 2.200 574 N HA 0.050 4.791 4.740 0.002 0.000 0.224 574 N C -0.501 174.924 175.510 -0.143 0.000 1.179 574 N CA -0.116 52.873 53.050 -0.100 0.000 0.877 574 N CB 0.840 39.301 38.487 -0.044 0.000 1.072 574 N HN -0.097 nan 8.380 nan 0.000 0.519 575 S N -1.430 114.151 115.700 -0.197 0.000 2.550 575 S HA 0.713 5.184 4.470 0.002 0.000 0.270 575 S C -0.380 174.105 174.600 -0.192 0.000 1.145 575 S CA -0.144 57.935 58.200 -0.202 0.000 0.852 575 S CB 1.329 64.374 63.200 -0.259 0.000 1.119 575 S HN 0.208 nan 8.310 nan 0.000 0.465 576 A N 2.667 125.385 122.820 -0.170 0.000 2.115 576 A HA 0.317 4.638 4.320 0.002 0.000 0.211 576 A C 0.960 178.441 177.584 -0.173 0.000 1.169 576 A CA 0.147 52.098 52.037 -0.143 0.000 0.787 576 A CB -0.172 18.762 19.000 -0.110 0.000 0.858 576 A HN 0.727 nan 8.150 nan 0.000 0.474 577 N N 0.571 119.118 118.700 -0.256 0.000 2.273 577 N HA 0.148 4.889 4.740 0.002 0.000 0.231 577 N C -0.681 174.682 175.510 -0.244 0.000 1.134 577 N CA 0.294 53.100 53.050 -0.407 0.000 0.856 577 N CB 0.743 38.758 38.487 -0.787 0.000 1.068 577 N HN 0.444 nan 8.380 nan 0.000 0.510 578 E N -0.104 119.997 120.200 -0.165 0.000 3.157 578 E HA 0.178 4.529 4.350 0.002 0.000 0.203 578 E C -0.447 176.140 176.600 -0.022 0.000 0.982 578 E CA -0.170 56.169 56.400 -0.101 0.000 1.217 578 E CB 0.483 29.974 29.700 -0.348 0.000 1.123 578 E HN 0.163 nan 8.360 nan 0.000 0.457 579 Q N 0.792 120.611 119.800 0.032 0.000 2.256 579 Q HA 0.335 4.676 4.340 0.002 0.000 0.254 579 Q C -0.159 175.946 176.000 0.176 0.000 0.916 579 Q CA -0.610 55.261 55.803 0.114 0.000 0.932 579 Q CB 1.930 30.718 28.738 0.084 0.000 1.207 579 Q HN 0.083 nan 8.270 nan 0.000 0.426 580 V N 2.076 122.132 119.914 0.237 0.000 2.715 580 V HA 0.179 4.300 4.120 0.002 0.000 0.299 580 V C 0.493 176.700 176.094 0.189 0.000 1.054 580 V CA 0.641 63.058 62.300 0.194 0.000 1.077 580 V CB 0.887 32.731 31.823 0.036 0.000 0.972 580 V HN 1.031 nan 8.190 nan 0.000 0.484 581 A N 3.394 126.300 122.820 0.143 0.000 2.085 581 A HA 0.349 4.670 4.320 0.002 0.000 0.202 581 A C 0.338 177.956 177.584 0.056 0.000 2.124 581 A CA -0.242 51.856 52.037 0.101 0.000 1.584 581 A CB -0.069 18.930 19.000 -0.002 0.000 1.136 581 A HN 0.692 nan 8.150 nan 0.000 0.493 582 D N 0.597 120.977 120.400 -0.033 0.000 2.389 582 D HA 0.460 5.102 4.640 0.002 0.000 0.247 582 D C -0.946 175.334 176.300 -0.034 0.000 1.128 582 D CA 0.843 54.771 54.000 -0.121 0.000 0.884 582 D CB 0.696 41.417 40.800 -0.131 0.000 1.194 582 D HN 0.460 nan 8.370 nan 0.000 0.441 583 Y N -1.714 118.464 120.300 -0.203 0.000 2.588 583 Y HA 0.623 5.174 4.550 0.002 0.000 0.343 583 Y C -0.974 174.850 175.900 -0.128 0.000 1.065 583 Y CA -1.177 56.833 58.100 -0.151 0.000 1.038 583 Y CB 1.343 39.629 38.460 -0.289 0.000 1.297 583 Y HN 0.184 nan 8.280 nan 0.000 0.467 584 E N 2.127 122.424 120.200 0.161 0.000 2.343 584 E HA 0.672 5.023 4.350 0.002 0.000 0.270 584 E C -1.588 175.090 176.600 0.130 0.000 0.895 584 E CA -0.960 55.457 56.400 0.027 0.000 0.767 584 E CB 3.187 32.861 29.700 -0.043 0.000 1.248 584 E HN 0.651 nan 8.360 nan 0.000 0.440 585 I N 1.986 122.524 120.570 -0.053 0.000 2.509 585 I HA 0.395 4.567 4.170 0.002 0.000 0.293 585 I C -1.179 174.762 176.117 -0.294 0.000 1.020 585 I CA -0.567 60.725 61.300 -0.014 0.000 1.088 585 I CB 1.012 39.070 38.000 0.097 0.000 1.267 585 I HN 0.445 nan 8.210 nan 0.000 0.430 586 Y N 2.410 122.721 120.300 0.019 0.000 2.570 586 Y HA 0.704 5.256 4.550 0.002 0.000 0.345 586 Y C 0.344 176.370 175.900 0.211 0.000 1.014 586 Y CA -0.689 57.468 58.100 0.094 0.000 1.063 586 Y CB 2.434 40.982 38.460 0.148 0.000 1.272 586 Y HN 0.554 nan 8.280 nan 0.000 0.477 587 T N -1.937 112.859 114.554 0.404 0.000 2.887 587 T HA 0.819 5.171 4.350 0.002 0.000 0.292 587 T C -0.862 173.957 174.700 0.199 0.000 1.087 587 T CA -0.906 61.390 62.100 0.325 0.000 1.009 587 T CB 1.886 70.808 68.868 0.090 0.000 1.203 587 T HN 0.617 nan 8.240 nan 0.000 0.518 588 S N -0.676 115.010 115.700 -0.023 0.000 2.552 588 S HA 0.501 4.972 4.470 0.002 0.000 0.272 588 S C -0.111 174.443 174.600 -0.076 0.000 1.150 588 S CA -0.846 57.169 58.200 -0.307 0.000 0.849 588 S CB 1.313 63.816 63.200 -1.163 0.000 1.113 588 S HN 0.759 nan 8.310 nan 0.000 0.458 589 L N 2.529 123.693 121.223 -0.099 0.000 2.354 589 L HA 0.193 4.535 4.340 0.002 0.000 0.212 589 L C 1.601 178.505 176.870 0.056 0.000 1.091 589 L CA 0.620 55.466 54.840 0.011 0.000 0.828 589 L CB -0.162 41.888 42.059 -0.015 0.000 0.973 589 L HN 0.819 nan 8.230 nan 0.000 0.461 590 N N -1.212 117.403 118.700 -0.141 0.000 2.181 590 N HA 0.082 4.823 4.740 0.002 0.000 0.207 590 N C 1.197 176.379 175.510 -0.547 0.000 1.182 590 N CA 0.790 53.736 53.050 -0.173 0.000 0.893 590 N CB 0.894 39.285 38.487 -0.160 0.000 1.032 590 N HN 0.095 nan 8.380 nan 0.000 0.513 591 G N -0.373 107.735 108.800 -1.153 0.000 2.195 591 G HA2 -0.325 3.636 3.960 0.002 0.000 0.246 591 G HA3 -0.325 3.636 3.960 0.002 0.000 0.246 591 G C 0.827 175.346 174.900 -0.635 0.000 0.984 591 G CA 1.146 45.414 45.100 -1.387 0.000 0.633 591 G HN 0.761 nan 8.290 nan 0.000 0.525 592 T N -3.147 111.061 114.554 -0.578 0.000 2.980 592 T HA 0.381 4.733 4.350 0.002 0.000 0.252 592 T C 0.890 175.461 174.700 -0.216 0.000 0.962 592 T CA 1.459 63.431 62.100 -0.213 0.000 0.932 592 T CB 0.454 69.245 68.868 -0.129 0.000 1.188 592 T HN 1.275 nan 8.240 nan 0.000 0.500 593 T N 0.416 114.713 114.554 -0.429 0.000 2.821 593 T HA 0.625 4.976 4.350 0.002 0.000 0.307 593 T C -1.118 173.339 174.700 -0.405 0.000 1.034 593 T CA -0.744 61.203 62.100 -0.254 0.000 0.953 593 T CB 0.243 69.019 68.868 -0.153 0.000 0.968 593 T HN 0.382 nan 8.240 nan 0.000 0.462 594 W N 1.645 122.918 121.300 -0.045 0.000 2.438 594 W HA 0.567 5.228 4.660 0.002 0.000 0.324 594 W C -0.181 176.383 176.519 0.075 0.000 1.119 594 W CA -0.432 56.909 57.345 -0.006 0.000 1.221 594 W CB 1.115 30.509 29.460 -0.111 0.000 1.253 594 W HN 0.499 nan 8.180 nan 0.000 0.555 595 D N 0.921 121.539 120.400 0.363 0.000 2.278 595 D HA 0.661 5.302 4.640 0.002 0.000 0.245 595 D C 0.406 176.896 176.300 0.317 0.000 1.052 595 D CA 0.338 54.482 54.000 0.240 0.000 0.834 595 D CB 1.634 42.499 40.800 0.108 0.000 1.194 595 D HN 0.550 nan 8.370 nan 0.000 0.481 596 G N 2.292 111.222 108.800 0.217 0.000 2.302 596 G HA2 0.036 3.997 3.960 0.002 0.000 0.276 596 G HA3 0.036 3.997 3.960 0.002 0.000 0.276 596 G C -2.712 172.176 174.900 -0.021 0.000 1.316 596 G CA -1.027 44.055 45.100 -0.031 0.000 0.988 596 G HN 0.414 nan 8.290 nan 0.000 0.479 597 P HA 0.343 nan 4.420 nan 0.000 0.271 597 P C 1.277 178.360 177.300 -0.360 0.000 1.226 597 P CA 0.402 63.061 63.100 -0.736 0.000 0.765 597 P CB 1.169 32.526 31.700 -0.573 0.000 0.835 598 V N 0.382 120.077 119.914 -0.365 0.000 2.951 598 V HA 0.381 4.502 4.120 0.002 0.000 0.255 598 V C 0.676 176.712 176.094 -0.096 0.000 1.088 598 V CA 1.086 63.241 62.300 -0.241 0.000 1.109 598 V CB -0.994 30.564 31.823 -0.442 0.000 0.724 598 V HN 0.649 nan 8.190 nan 0.000 0.471 599 A N 0.007 122.767 122.820 -0.100 0.000 2.604 599 A HA 0.839 5.160 4.320 0.002 0.000 0.295 599 A C -0.450 177.107 177.584 -0.045 0.000 1.067 599 A CA 0.182 52.249 52.037 0.049 0.000 0.683 599 A CB 1.622 20.807 19.000 0.308 0.000 1.281 599 A HN 1.269 nan 8.150 nan 0.000 0.407 600 S N -0.133 115.480 115.700 -0.146 0.000 2.565 600 S HA 0.969 5.440 4.470 0.002 0.000 0.269 600 S C -0.200 173.979 174.600 -0.702 0.000 1.153 600 S CA 0.098 58.019 58.200 -0.466 0.000 0.835 600 S CB 1.290 64.291 63.200 -0.330 0.000 1.122 600 S HN 2.686 nan 8.310 nan 0.000 0.462 601 G N 0.639 108.668 108.800 -1.286 0.000 2.348 601 G HA2 0.576 4.537 3.960 0.002 0.000 0.296 601 G HA3 0.576 4.537 3.960 0.002 0.000 0.296 601 G C -2.022 172.317 174.900 -0.935 0.000 1.258 601 G CA -0.866 43.661 45.100 -0.956 0.000 0.868 601 G HN 0.833 nan 8.290 nan 0.000 0.488 602 R N -0.088 120.160 120.500 -0.421 0.000 2.510 602 R HA 0.558 4.899 4.340 0.002 0.000 0.294 602 R C -1.124 175.193 176.300 0.027 0.000 1.056 602 R CA -0.628 55.361 56.100 -0.185 0.000 0.918 602 R CB 0.755 30.986 30.300 -0.115 0.000 1.187 602 R HN 0.266 nan 8.270 nan 0.000 0.437 603 F N 1.422 121.522 119.950 0.250 0.000 2.444 603 F HA 0.164 4.692 4.527 0.002 0.000 0.331 603 F C 1.631 177.499 175.800 0.113 0.000 1.167 603 F CA 0.221 58.315 58.000 0.157 0.000 1.262 603 F CB 0.844 39.853 39.000 0.014 0.000 1.196 603 F HN 0.493 nan 8.300 nan 0.000 0.583 604 T N -3.184 111.585 114.554 0.358 0.000 2.880 604 T HA 0.306 4.658 4.350 0.002 0.000 0.279 604 T C 0.921 175.734 174.700 0.189 0.000 0.990 604 T CA 0.010 62.234 62.100 0.206 0.000 0.938 604 T CB 0.989 69.947 68.868 0.149 0.000 1.206 604 T HN 0.625 nan 8.240 nan 0.000 0.573 605 T N -1.631 112.989 114.554 0.110 0.000 3.169 605 T HA 0.192 4.543 4.350 0.002 0.000 0.250 605 T C 1.040 175.763 174.700 0.038 0.000 1.111 605 T CA 0.043 62.187 62.100 0.072 0.000 1.010 605 T CB -0.574 68.317 68.868 0.038 0.000 0.984 605 T HN 0.709 nan 8.240 nan 0.000 0.537 606 S N 0.612 116.340 115.700 0.046 0.000 2.558 606 S HA 0.168 4.639 4.470 0.002 0.000 0.288 606 S C 1.086 175.659 174.600 -0.045 0.000 1.318 606 S CA -0.578 57.624 58.200 0.004 0.000 1.056 606 S CB 0.145 63.355 63.200 0.017 0.000 0.853 606 S HN 0.472 nan 8.310 nan 0.000 0.505 607 L N 3.285 124.469 121.223 -0.066 0.000 2.418 607 L HA 0.222 4.563 4.340 0.002 0.000 0.218 607 L C 1.483 178.278 176.870 -0.125 0.000 1.125 607 L CA 0.349 55.128 54.840 -0.102 0.000 0.835 607 L CB -0.624 41.385 42.059 -0.083 0.000 0.953 607 L HN 0.766 nan 8.230 nan 0.000 0.454 608 A N -0.036 122.724 122.820 -0.100 0.000 2.287 608 A HA 0.459 4.780 4.320 0.002 0.000 0.273 608 A C -2.242 175.262 177.584 -0.133 0.000 1.091 608 A CA -1.288 50.687 52.037 -0.104 0.000 0.817 608 A CB -0.313 18.642 19.000 -0.074 0.000 1.069 608 A HN -0.088 nan 8.150 nan 0.000 0.492 609 P HA 0.081 nan 4.420 nan 0.000 0.265 609 P C -0.878 176.378 177.300 -0.073 0.000 1.187 609 P CA 0.635 63.656 63.100 -0.131 0.000 0.766 609 P CB 0.275 31.913 31.700 -0.103 0.000 0.820 610 Q N 2.452 122.215 119.800 -0.062 0.000 2.340 610 Q HA 0.426 4.767 4.340 0.002 0.000 0.268 610 Q C -0.286 175.781 176.000 0.111 0.000 1.031 610 Q CA -0.740 55.095 55.803 0.054 0.000 0.804 610 Q CB 2.474 31.268 28.738 0.093 0.000 1.286 610 Q HN 0.331 nan 8.270 nan 0.000 0.448 611 R N 0.811 121.400 120.500 0.149 0.000 2.404 611 R HA 0.686 5.028 4.340 0.002 0.000 0.291 611 R C -0.800 175.629 176.300 0.215 0.000 1.025 611 R CA -0.417 55.768 56.100 0.141 0.000 0.991 611 R CB 1.271 31.625 30.300 0.089 0.000 1.053 611 R HN 0.559 nan 8.270 nan 0.000 0.479 612 A N 2.809 125.747 122.820 0.196 0.000 2.340 612 A HA 0.456 4.777 4.320 0.002 0.000 0.297 612 A C -0.341 177.349 177.584 0.177 0.000 1.195 612 A CA -0.717 51.461 52.037 0.236 0.000 0.769 612 A CB 0.859 19.998 19.000 0.230 0.000 1.163 612 A HN 0.527 nan 8.150 nan 0.000 0.472 613 V N 0.381 120.360 119.914 0.109 0.000 2.850 613 V HA 1.030 5.151 4.120 0.002 0.000 0.315 613 V C -0.577 175.528 176.094 0.017 0.000 1.064 613 V CA -0.994 61.244 62.300 -0.102 0.000 0.979 613 V CB 1.010 32.786 31.823 -0.079 0.000 1.039 613 V HN 1.143 nan 8.190 nan 0.000 0.452 614 F N -0.353 119.637 119.950 0.065 0.000 2.686 614 F HA 0.923 5.451 4.527 0.002 0.000 0.311 614 F C -3.127 172.701 175.800 0.048 0.000 1.128 614 F CA -2.836 55.196 58.000 0.052 0.000 0.946 614 F CB 0.492 39.524 39.000 0.053 0.000 1.336 614 F HN 0.353 nan 8.300 nan 0.000 0.457 615 P HA 0.262 nan 4.420 nan 0.000 0.266 615 P C -0.430 176.994 177.300 0.207 0.000 1.195 615 P CA 0.003 63.196 63.100 0.155 0.000 0.768 615 P CB 0.487 32.263 31.700 0.127 0.000 0.838 616 A N 4.230 127.114 122.820 0.107 0.000 2.561 616 A HA 0.286 4.607 4.320 0.002 0.000 0.234 616 A C 0.586 178.265 177.584 0.157 0.000 1.055 616 A CA 0.498 52.604 52.037 0.115 0.000 0.756 616 A CB -0.369 18.668 19.000 0.061 0.000 0.986 616 A HN 0.727 nan 8.150 nan 0.000 0.505 617 R N 1.187 121.800 120.500 0.188 0.000 2.664 617 R HA 0.442 4.783 4.340 0.002 0.000 0.266 617 R C -2.127 174.262 176.300 0.149 0.000 1.046 617 R CA -0.945 55.251 56.100 0.160 0.000 0.885 617 R CB 0.960 31.366 30.300 0.177 0.000 1.254 617 R HN 0.441 nan 8.270 nan 0.000 0.465 618 D N 0.995 121.455 120.400 0.101 0.000 2.277 618 D HA 0.600 5.241 4.640 0.002 0.000 0.249 618 D C -0.669 175.682 176.300 0.085 0.000 1.134 618 D CA 0.190 54.241 54.000 0.085 0.000 0.863 618 D CB 1.843 42.672 40.800 0.048 0.000 1.143 618 D HN 0.698 nan 8.370 nan 0.000 0.458 619 A N 2.477 125.358 122.820 0.102 0.000 2.574 619 A HA 0.437 4.758 4.320 0.002 0.000 0.297 619 A C 0.488 178.123 177.584 0.085 0.000 1.062 619 A CA -0.694 51.403 52.037 0.100 0.000 0.686 619 A CB 1.735 20.817 19.000 0.136 0.000 1.285 619 A HN 0.476 nan 8.150 nan 0.000 0.403 620 R N -0.336 120.192 120.500 0.047 0.000 2.237 620 R HA 0.269 4.610 4.340 0.002 0.000 0.195 620 R C -0.826 175.277 176.300 -0.327 0.000 0.956 620 R CA 0.789 56.810 56.100 -0.132 0.000 1.029 620 R CB 0.173 30.343 30.300 -0.218 0.000 0.972 620 R HN 0.734 nan 8.270 nan 0.000 0.493 621 Y N -0.586 119.735 120.300 0.034 0.000 2.536 621 Y HA 0.483 5.034 4.550 0.002 0.000 0.347 621 Y C -0.555 175.484 175.900 0.232 0.000 1.000 621 Y CA -1.248 56.925 58.100 0.122 0.000 1.051 621 Y CB 2.047 40.559 38.460 0.088 0.000 1.259 621 Y HN -0.152 nan 8.280 nan 0.000 0.468 622 I N 2.137 122.983 120.570 0.460 0.000 2.647 622 I HA 0.579 4.750 4.170 0.002 0.000 0.295 622 I C -1.331 175.017 176.117 0.385 0.000 1.078 622 I CA -0.905 60.646 61.300 0.418 0.000 1.048 622 I CB 1.880 40.051 38.000 0.284 0.000 1.239 622 I HN 0.769 nan 8.210 nan 0.000 0.421 623 R N 6.672 127.354 120.500 0.303 0.000 2.561 623 R HA 0.565 4.906 4.340 0.002 0.000 0.297 623 R C -2.110 174.268 176.300 0.131 0.000 0.969 623 R CA -0.745 55.385 56.100 0.049 0.000 0.879 623 R CB 1.846 31.892 30.300 -0.423 0.000 1.178 623 R HN 0.601 nan 8.270 nan 0.000 0.445 624 L N 5.410 126.699 121.223 0.110 0.000 2.280 624 L HA 0.394 4.735 4.340 0.002 0.000 0.287 624 L C -1.354 175.623 176.870 0.178 0.000 1.023 624 L CA -0.402 54.548 54.840 0.183 0.000 0.819 624 L CB 1.772 43.953 42.059 0.204 0.000 1.212 624 L HN 0.402 nan 8.230 nan 0.000 0.420 625 V N 5.529 125.582 119.914 0.232 0.000 2.364 625 V HA 0.630 4.751 4.120 0.002 0.000 0.272 625 V C 0.558 176.814 176.094 0.269 0.000 1.036 625 V CA -0.424 62.008 62.300 0.220 0.000 0.880 625 V CB 0.984 32.942 31.823 0.226 0.000 0.991 625 V HN 0.932 nan 8.190 nan 0.000 0.460 626 A N 5.593 128.597 122.820 0.306 0.000 2.316 626 A HA 0.615 4.937 4.320 0.002 0.000 0.311 626 A C 0.772 178.581 177.584 0.375 0.000 1.339 626 A CA -0.363 51.895 52.037 0.368 0.000 0.960 626 A CB 0.247 19.518 19.000 0.453 0.000 1.152 626 A HN 0.900 nan 8.150 nan 0.000 0.547 627 L N 2.008 123.381 121.223 0.250 0.000 2.209 627 L HA 0.073 4.414 4.340 0.002 0.000 0.207 627 L C 1.054 177.968 176.870 0.074 0.000 1.094 627 L CA 1.095 56.026 54.840 0.152 0.000 0.790 627 L CB -0.170 41.915 42.059 0.043 0.000 0.932 627 L HN 0.817 nan 8.230 nan 0.000 0.447 628 S N -2.273 113.373 115.700 -0.089 0.000 2.570 628 S HA 0.404 4.875 4.470 0.002 0.000 0.270 628 S C -0.963 173.193 174.600 -0.740 0.000 1.149 628 S CA -0.968 56.918 58.200 -0.524 0.000 0.837 628 S CB 2.685 65.722 63.200 -0.271 0.000 1.124 628 S HN -0.008 nan 8.310 nan 0.000 0.465 629 E N 0.165 119.766 120.200 -0.998 0.000 2.250 629 E HA 0.256 4.607 4.350 0.002 0.000 0.269 629 E C 0.513 177.011 176.600 -0.171 0.000 1.018 629 E CA -0.567 55.566 56.400 -0.445 0.000 0.873 629 E CB 1.130 30.658 29.700 -0.287 0.000 1.134 629 E HN 0.673 nan 8.360 nan 0.000 0.403 630 Q N 0.460 120.243 119.800 -0.029 0.000 2.133 630 Q HA -0.141 4.200 4.340 0.002 0.000 0.208 630 Q C 1.260 177.260 176.000 0.001 0.000 0.991 630 Q CA 2.244 58.051 55.803 0.007 0.000 0.867 630 Q CB -0.232 28.531 28.738 0.042 0.000 0.911 630 Q HN 0.620 nan 8.270 nan 0.000 0.417 631 T N -4.856 109.725 114.554 0.046 0.000 3.380 631 T HA 0.502 4.853 4.350 0.002 0.000 0.289 631 T C 0.786 175.428 174.700 -0.097 0.000 1.012 631 T CA 0.249 62.359 62.100 0.016 0.000 0.944 631 T CB 0.651 69.576 68.868 0.095 0.000 1.172 631 T HN 0.355 nan 8.240 nan 0.000 0.502 632 G N 1.848 110.568 108.800 -0.134 0.000 2.147 632 G HA2 -0.236 3.725 3.960 0.002 0.000 0.244 632 G HA3 -0.236 3.725 3.960 0.002 0.000 0.244 632 G C 0.051 174.798 174.900 -0.254 0.000 1.005 632 G CA -0.054 44.915 45.100 -0.219 0.000 0.713 632 G HN 0.752 nan 8.290 nan 0.000 0.515 633 H N -0.481 118.523 119.070 -0.109 0.000 2.660 633 H HA 0.212 4.769 4.556 0.002 0.000 0.374 633 H C 1.476 176.795 175.328 -0.015 0.000 1.291 633 H CA 0.764 56.767 56.048 -0.075 0.000 1.437 633 H CB 0.880 30.614 29.762 -0.046 0.000 1.509 633 H HN 0.224 nan 8.280 nan 0.000 0.614 634 K N 0.630 121.002 120.400 -0.046 0.000 2.296 634 K HA -0.041 4.280 4.320 0.002 0.000 0.200 634 K C -0.441 176.194 176.600 0.059 0.000 1.048 634 K CA 0.901 57.094 56.287 -0.157 0.000 0.966 634 K CB 0.348 32.469 32.500 -0.631 0.000 0.754 634 K HN 0.301 nan 8.250 nan 0.000 0.466 635 Y N -0.416 120.126 120.300 0.404 0.000 2.509 635 Y HA 0.562 5.113 4.550 0.001 0.000 0.341 635 Y C -0.155 175.746 175.900 0.002 0.000 1.038 635 Y CA -1.771 56.406 58.100 0.128 0.000 1.089 635 Y CB 1.615 40.129 38.460 0.090 0.000 1.241 635 Y HN -0.133 nan 8.280 nan 0.000 0.468 636 A N 1.101 123.752 122.820 -0.282 0.000 2.337 636 A HA 0.939 5.260 4.320 0.002 0.000 0.329 636 A C -0.980 176.152 177.584 -0.755 0.000 1.146 636 A CA -0.395 51.418 52.037 -0.374 0.000 0.800 636 A CB 0.619 19.371 19.000 -0.412 0.000 1.220 636 A HN 0.936 nan 8.150 nan 0.000 0.472 637 A N 1.326 123.835 122.820 -0.520 0.000 2.449 637 A HA 0.729 5.051 4.320 0.002 0.000 0.302 637 A C -1.260 176.248 177.584 -0.126 0.000 1.048 637 A CA -0.465 51.276 52.037 -0.492 0.000 0.708 637 A CB 1.592 20.205 19.000 -0.645 0.000 1.274 637 A HN 1.334 nan 8.150 nan 0.000 0.410 638 V N 1.537 121.509 119.914 0.096 0.000 2.623 638 V HA 0.562 4.683 4.120 0.002 0.000 0.304 638 V C 0.849 177.081 176.094 0.231 0.000 1.054 638 V CA 0.173 62.611 62.300 0.230 0.000 0.882 638 V CB 1.487 33.611 31.823 0.502 0.000 1.002 638 V HN 1.334 nan 8.190 nan 0.000 0.424 639 A N 3.731 126.597 122.820 0.077 0.000 1.984 639 A HA 0.360 4.682 4.320 0.002 0.000 0.214 639 A C 0.677 178.302 177.584 0.069 0.000 1.173 639 A CA 0.917 53.025 52.037 0.119 0.000 0.673 639 A CB 0.186 19.214 19.000 0.047 0.000 0.830 639 A HN 0.781 nan 8.150 nan 0.000 0.453 640 E N -1.622 118.577 120.200 -0.000 0.000 2.363 640 E HA 0.643 4.994 4.350 0.002 0.000 0.281 640 E C -1.826 174.776 176.600 0.002 0.000 0.953 640 E CA -0.326 56.075 56.400 0.002 0.000 0.778 640 E CB 1.449 31.130 29.700 -0.032 0.000 1.220 640 E HN 0.192 nan 8.360 nan 0.000 0.431 641 L N 2.915 124.161 121.223 0.038 0.000 2.385 641 L HA 0.596 4.937 4.340 0.002 0.000 0.273 641 L C -0.465 176.424 176.870 0.033 0.000 0.990 641 L CA -0.798 54.074 54.840 0.054 0.000 0.821 641 L CB 1.803 43.915 42.059 0.089 0.000 1.279 641 L HN 0.448 nan 8.230 nan 0.000 0.412 642 E N 2.511 122.729 120.200 0.030 0.000 2.256 642 E HA 0.562 4.914 4.350 0.002 0.000 0.267 642 E C -1.307 175.318 176.600 0.041 0.000 0.892 642 E CA -0.764 55.648 56.400 0.021 0.000 0.775 642 E CB 3.501 33.201 29.700 0.001 0.000 1.207 642 E HN 0.159 nan 8.360 nan 0.000 0.420 643 V N 2.005 121.937 119.914 0.030 0.000 2.417 643 V HA 0.192 4.314 4.120 0.002 0.000 0.291 643 V C -0.165 175.938 176.094 0.016 0.000 1.024 643 V CA -0.745 61.584 62.300 0.048 0.000 0.861 643 V CB 1.536 33.389 31.823 0.050 0.000 0.985 643 V HN 0.537 nan 8.190 nan 0.000 0.436 644 E N 3.310 123.517 120.200 0.012 0.000 2.194 644 E HA 0.650 5.001 4.350 0.002 0.000 0.284 644 E C 0.324 176.914 176.600 -0.018 0.000 1.035 644 E CA -0.099 56.290 56.400 -0.019 0.000 0.836 644 E CB 1.701 31.368 29.700 -0.055 0.000 1.070 644 E HN 0.930 nan 8.360 nan 0.000 0.401 645 G N 2.345 111.140 108.800 -0.008 0.000 2.349 645 G HA2 0.134 4.095 3.960 0.002 0.000 0.294 645 G HA3 0.134 4.095 3.960 0.002 0.000 0.294 645 G C -1.539 173.372 174.900 0.019 0.000 1.380 645 G CA -0.917 44.192 45.100 0.016 0.000 0.811 645 G HN 0.390 nan 8.290 nan 0.000 0.519 646 Q N 0.477 120.317 119.800 0.067 0.000 2.257 646 Q HA 0.482 4.824 4.340 0.002 0.000 0.255 646 Q C 0.537 176.645 176.000 0.179 0.000 0.920 646 Q CA -0.519 55.334 55.803 0.084 0.000 0.927 646 Q CB 2.136 30.920 28.738 0.076 0.000 1.229 646 Q HN 0.432 nan 8.270 nan 0.000 0.433 647 R N 0.000 120.570 120.500 0.117 0.000 2.786 647 R HA 0.000 4.341 4.340 0.002 0.000 0.208 647 R CA 0.000 56.202 56.100 0.169 0.000 0.921 647 R CB 0.000 30.343 30.300 0.071 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535