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 2gse_1_B DATA FIRST_RESID 15 DATA SEQUENCE DRLLIKGGKI VNDDQSFYAD IYMEDGLIKQ IGENLIVPGG VKTIEAHSRM DATA SEQUENCE VIPGGIDVHT RFQMPDQGMT SADDFFQGTK AALAGGTTMI IDHVVPEPGT DATA SEQUENCE SLLAAFDQWR EWADSKSCCD YSLHVDISEW HKGIQEEMEA LVKDHGVNSF DATA SEQUENCE LVYMAFKDRF QLTDCQIYEV LSVIRDIGAI AQVHAENGDI IAEEQQRILD DATA SEQUENCE LGITGPEGHV LSRPEEVEAE AVNRAITIAN QTNCPLYITK VMSKSSAEVI DATA SEQUENCE AQARKKGTVV YGEPITASLG TDGSHYWSKN WAKAAAFVTS PPLSPDPTTP DATA SEQUENCE DFLNSLLSCG DLQVTGSAHC TFNTAQKAVG KDNFTLIPEG TNGTEERMSV DATA SEQUENCE IWDKAVVTGK MDENQFVAVT STNAAKVFNL YPRKGRIAVG SDADLVIWDP DATA SEQUENCE DSVKTISAKT HNSSLEYNIF EGMECRGSPL VVISQGKIVL EDGTLHVTEG DATA SEQUENCE SGRYIPRKPF PDFVYKRIKA RSRLA 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.276 176.300 -0.040 0.000 2.045 15 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 15 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 16 R N 1.177 121.667 120.500 -0.017 0.000 2.641 16 R HA 0.679 5.022 4.340 0.004 0.000 0.269 16 R C -0.671 175.613 176.300 -0.027 0.000 1.074 16 R CA -0.544 55.538 56.100 -0.030 0.000 1.133 16 R CB 0.593 30.969 30.300 0.126 0.000 1.029 16 R HN 0.402 nan 8.270 nan 0.000 0.488 17 L N 1.938 123.120 121.223 -0.069 0.000 2.592 17 L HA 0.388 4.730 4.340 0.004 0.000 0.258 17 L C -2.175 174.700 176.870 0.008 0.000 0.926 17 L CA -0.600 54.223 54.840 -0.029 0.000 0.885 17 L CB 2.078 44.100 42.059 -0.062 0.000 1.380 17 L HN 0.533 nan 8.230 nan 0.000 0.415 18 L N 5.174 126.438 121.223 0.070 0.000 2.406 18 L HA 0.724 5.067 4.340 0.004 0.000 0.272 18 L C -1.369 175.527 176.870 0.044 0.000 0.980 18 L CA 0.001 54.907 54.840 0.109 0.000 0.831 18 L CB 1.550 43.701 42.059 0.153 0.000 1.253 18 L HN 0.583 nan 8.230 nan 0.000 0.406 19 I N 4.710 125.298 120.570 0.029 0.000 2.385 19 I HA 0.460 4.632 4.170 0.004 0.000 0.294 19 I C -0.167 175.955 176.117 0.008 0.000 0.988 19 I CA -0.195 61.108 61.300 0.005 0.000 1.265 19 I CB 1.314 39.311 38.000 -0.006 0.000 1.388 19 I HN 0.514 nan 8.210 nan 0.000 0.480 20 K N 3.156 123.547 120.400 -0.015 0.000 2.422 20 K HA 0.590 4.912 4.320 0.004 0.000 0.251 20 K C 0.271 176.850 176.600 -0.034 0.000 0.933 20 K CA -0.528 55.750 56.287 -0.016 0.000 0.798 20 K CB 2.025 34.509 32.500 -0.027 0.000 1.238 20 K HN 0.807 nan 8.250 nan 0.000 0.428 21 G N 1.040 109.842 108.800 0.004 0.000 2.160 21 G HA2 -0.226 3.736 3.960 0.004 0.000 0.251 21 G HA3 -0.226 3.736 3.960 0.004 0.000 0.251 21 G C 0.251 175.207 174.900 0.092 0.000 1.008 21 G CA 0.069 45.188 45.100 0.031 0.000 0.724 21 G HN 0.804 nan 8.290 nan 0.000 0.514 22 G N -0.773 108.070 108.800 0.072 0.000 2.437 22 G HA2 0.575 4.538 3.960 0.004 0.000 0.319 22 G HA3 0.575 4.538 3.960 0.004 0.000 0.319 22 G C -0.127 174.779 174.900 0.010 0.000 1.158 22 G CA -0.289 44.844 45.100 0.054 0.000 0.899 22 G HN 0.449 nan 8.290 nan 0.000 0.502 23 K N 1.989 122.316 120.400 -0.123 0.000 2.250 23 K HA 0.288 4.610 4.320 0.004 0.000 0.280 23 K C 0.057 176.432 176.600 -0.375 0.000 1.098 23 K CA -0.463 55.527 56.287 -0.495 0.000 0.916 23 K CB 0.133 32.275 32.500 -0.598 0.000 1.209 23 K HN 0.348 nan 8.250 nan 0.000 0.461 24 I N 4.730 124.994 120.570 -0.510 0.000 2.581 24 I HA -0.033 4.139 4.170 0.004 0.000 0.285 24 I C -0.253 175.639 176.117 -0.376 0.000 1.129 24 I CA -0.257 60.746 61.300 -0.495 0.000 1.397 24 I CB 0.864 38.372 38.000 -0.820 0.000 1.399 24 I HN 0.258 nan 8.210 nan 0.000 0.537 25 V N 7.307 127.117 119.914 -0.174 0.000 2.259 25 V HA 0.252 4.374 4.120 0.004 0.000 0.267 25 V C 0.303 176.395 176.094 -0.003 0.000 1.051 25 V CA -0.683 61.583 62.300 -0.058 0.000 0.830 25 V CB 0.226 32.052 31.823 0.006 0.000 1.080 25 V HN 0.648 nan 8.190 nan 0.000 0.467 26 N N 2.858 121.581 118.700 0.037 0.000 2.405 26 N HA 0.160 4.902 4.740 0.004 0.000 0.269 26 N C 1.227 176.778 175.510 0.069 0.000 1.249 26 N CA -0.332 52.760 53.050 0.070 0.000 0.974 26 N CB 0.885 39.450 38.487 0.130 0.000 1.204 26 N HN 0.688 nan 8.380 nan 0.000 0.565 27 D N -0.546 119.890 120.400 0.061 0.000 2.264 27 D HA -0.165 4.477 4.640 0.004 0.000 0.208 27 D C 0.575 176.901 176.300 0.044 0.000 0.966 27 D CA 1.154 55.176 54.000 0.036 0.000 0.864 27 D CB -0.024 40.774 40.800 -0.003 0.000 0.933 27 D HN 0.622 nan 8.370 nan 0.000 0.499 28 D N -0.267 120.173 120.400 0.067 0.000 2.324 28 D HA -0.052 4.591 4.640 0.004 0.000 0.212 28 D C 1.082 177.425 176.300 0.072 0.000 0.984 28 D CA 0.428 54.464 54.000 0.061 0.000 0.885 28 D CB 0.144 40.982 40.800 0.063 0.000 0.996 28 D HN 0.571 nan 8.370 nan 0.000 0.505 29 Q N -1.148 118.716 119.800 0.106 0.000 2.782 29 Q HA 0.552 4.894 4.340 0.004 0.000 0.308 29 Q C -1.704 174.398 176.000 0.169 0.000 0.883 29 Q CA -0.967 54.911 55.803 0.126 0.000 0.755 29 Q CB 1.176 29.990 28.738 0.127 0.000 1.454 29 Q HN -0.114 nan 8.270 nan 0.000 0.452 30 S N 0.554 116.351 115.700 0.162 0.000 2.526 30 S HA 0.926 5.398 4.470 0.004 0.000 0.293 30 S C -1.260 173.462 174.600 0.203 0.000 1.092 30 S CA -0.601 57.657 58.200 0.098 0.000 0.980 30 S CB 0.821 64.011 63.200 -0.018 0.000 1.048 30 S HN 0.562 nan 8.310 nan 0.000 0.483 31 F N -1.139 118.734 119.950 -0.128 0.000 2.693 31 F HA 0.643 5.172 4.527 0.004 0.000 0.309 31 F C -2.037 173.658 175.800 -0.176 0.000 1.129 31 F CA -1.663 56.277 58.000 -0.099 0.000 0.948 31 F CB 0.496 39.499 39.000 0.005 0.000 1.315 31 F HN 0.426 nan 8.300 nan 0.000 0.447 32 Y N 1.667 122.047 120.300 0.134 0.000 2.350 32 Y HA 0.732 5.285 4.550 0.004 0.000 0.340 32 Y C 0.393 176.338 175.900 0.075 0.000 1.006 32 Y CA 0.128 58.247 58.100 0.031 0.000 1.166 32 Y CB 1.111 39.608 38.460 0.061 0.000 1.168 32 Y HN 1.030 nan 8.280 nan 0.000 0.502 33 A N 2.402 125.282 122.820 0.100 0.000 2.601 33 A HA 0.600 4.922 4.320 0.004 0.000 0.291 33 A C -1.697 175.914 177.584 0.045 0.000 1.075 33 A CA -1.048 51.054 52.037 0.109 0.000 0.671 33 A CB 1.273 20.374 19.000 0.168 0.000 1.277 33 A HN 0.506 nan 8.150 nan 0.000 0.417 34 D N -0.038 120.402 120.400 0.067 0.000 2.268 34 D HA 0.719 5.361 4.640 0.004 0.000 0.249 34 D C -0.611 175.725 176.300 0.060 0.000 1.008 34 D CA 0.163 54.194 54.000 0.050 0.000 0.939 34 D CB 1.427 42.260 40.800 0.056 0.000 1.170 34 D HN 0.442 nan 8.370 nan 0.000 0.468 35 I N 1.358 121.963 120.570 0.058 0.000 2.500 35 I HA 0.198 4.370 4.170 0.004 0.000 0.286 35 I C -1.325 174.855 176.117 0.105 0.000 1.063 35 I CA -1.048 60.289 61.300 0.062 0.000 1.062 35 I CB 1.588 39.594 38.000 0.010 0.000 1.223 35 I HN 0.211 nan 8.210 nan 0.000 0.435 36 Y N 7.515 127.818 120.300 0.004 0.000 2.341 36 Y HA 0.762 5.314 4.550 0.004 0.000 0.337 36 Y C -1.009 174.890 175.900 -0.001 0.000 1.014 36 Y CA -0.866 57.234 58.100 0.001 0.000 1.111 36 Y CB 1.544 40.006 38.460 0.003 0.000 1.194 36 Y HN 0.511 nan 8.280 nan 0.000 0.462 37 M N 5.562 124.738 119.600 -0.708 0.000 2.464 37 M HA 0.428 4.910 4.480 0.004 0.000 0.308 37 M C -1.310 174.539 176.300 -0.751 0.000 1.127 37 M CA -0.516 54.450 55.300 -0.556 0.000 0.913 37 M CB 2.405 34.845 32.600 -0.266 0.000 1.689 37 M HN 0.732 nan 8.290 nan 0.000 0.445 38 E N 1.400 121.324 120.200 -0.460 0.000 2.335 38 E HA 0.227 4.579 4.350 0.004 0.000 0.280 38 E C -1.373 175.146 176.600 -0.135 0.000 0.918 38 E CA -0.440 55.790 56.400 -0.282 0.000 0.765 38 E CB 1.318 30.884 29.700 -0.222 0.000 1.218 38 E HN 0.741 nan 8.360 nan 0.000 0.425 39 D N 3.063 123.412 120.400 -0.084 0.000 2.772 39 D HA -0.195 4.447 4.640 0.004 0.000 0.233 39 D C 0.732 177.000 176.300 -0.053 0.000 1.143 39 D CA 1.928 55.897 54.000 -0.051 0.000 0.700 39 D CB -1.400 39.381 40.800 -0.032 0.000 1.076 39 D HN 1.025 nan 8.370 nan 0.000 0.430 40 G N -1.450 107.311 108.800 -0.065 0.000 2.189 40 G HA2 -0.320 3.643 3.960 0.004 0.000 0.267 40 G HA3 -0.320 3.643 3.960 0.004 0.000 0.267 40 G C 0.300 175.163 174.900 -0.063 0.000 0.975 40 G CA 0.714 45.781 45.100 -0.056 0.000 0.644 40 G HN 0.515 nan 8.290 nan 0.000 0.537 41 L N 0.061 121.238 121.223 -0.077 0.000 2.341 41 L HA 0.642 4.984 4.340 0.004 0.000 0.267 41 L C 0.692 177.507 176.870 -0.092 0.000 1.009 41 L CA -1.383 53.414 54.840 -0.071 0.000 0.819 41 L CB 1.863 43.889 42.059 -0.055 0.000 1.323 41 L HN -0.026 nan 8.230 nan 0.000 0.425 42 I N 2.236 122.764 120.570 -0.070 0.000 2.441 42 I HA 0.115 4.287 4.170 0.004 0.000 0.287 42 I C 0.774 176.872 176.117 -0.031 0.000 1.049 42 I CA -0.085 61.178 61.300 -0.062 0.000 1.381 42 I CB 0.965 38.944 38.000 -0.035 0.000 1.409 42 I HN 0.641 nan 8.210 nan 0.000 0.523 43 K N 4.297 124.691 120.400 -0.010 0.000 2.344 43 K HA 0.265 4.587 4.320 0.004 0.000 0.200 43 K C -0.028 176.649 176.600 0.128 0.000 1.132 43 K CA 0.712 57.043 56.287 0.073 0.000 0.935 43 K CB 0.547 33.134 32.500 0.144 0.000 1.089 43 K HN 0.589 nan 8.250 nan 0.000 0.496 44 Q N 0.420 120.321 119.800 0.168 0.000 2.289 44 Q HA 0.485 4.827 4.340 0.004 0.000 0.270 44 Q C -1.217 174.860 176.000 0.128 0.000 1.038 44 Q CA -0.379 55.512 55.803 0.147 0.000 0.812 44 Q CB 2.720 31.556 28.738 0.164 0.000 1.300 44 Q HN -0.011 nan 8.270 nan 0.000 0.427 45 I N 0.921 121.559 120.570 0.113 0.000 2.530 45 I HA 0.890 5.062 4.170 0.004 0.000 0.297 45 I C 0.277 176.477 176.117 0.139 0.000 1.011 45 I CA -0.388 60.992 61.300 0.133 0.000 1.107 45 I CB 2.327 40.431 38.000 0.172 0.000 1.285 45 I HN 0.746 nan 8.210 nan 0.000 0.436 46 G N 3.211 112.100 108.800 0.147 0.000 2.353 46 G HA2 0.237 4.199 3.960 0.004 0.000 0.308 46 G HA3 0.237 4.199 3.960 0.004 0.000 0.308 46 G C -1.826 173.138 174.900 0.105 0.000 1.418 46 G CA -0.902 44.278 45.100 0.132 0.000 0.966 46 G HN 0.475 nan 8.290 nan 0.000 0.638 47 E N 0.650 120.907 120.200 0.095 0.000 2.277 47 E HA 0.565 4.917 4.350 0.004 0.000 0.274 47 E C 0.578 177.204 176.600 0.044 0.000 1.022 47 E CA -0.181 56.262 56.400 0.072 0.000 0.853 47 E CB 0.438 30.183 29.700 0.075 0.000 1.086 47 E HN 0.563 nan 8.360 nan 0.000 0.397 48 N N 2.161 120.879 118.700 0.030 0.000 2.473 48 N HA -0.212 4.530 4.740 0.004 0.000 0.298 48 N C -1.372 174.140 175.510 0.003 0.000 1.390 48 N CA 0.721 53.778 53.050 0.012 0.000 0.659 48 N CB -0.547 37.946 38.487 0.009 0.000 0.968 48 N HN 0.404 nan 8.380 nan 0.000 0.508 49 L N 2.606 123.823 121.223 -0.010 0.000 2.346 49 L HA 0.457 4.799 4.340 0.004 0.000 0.276 49 L C 0.706 177.528 176.870 -0.079 0.000 1.006 49 L CA -1.056 53.765 54.840 -0.032 0.000 0.817 49 L CB 1.379 43.427 42.059 -0.018 0.000 1.272 49 L HN 0.210 nan 8.230 nan 0.000 0.421 50 I N 3.806 124.319 120.570 -0.096 0.000 2.268 50 I HA 0.076 4.248 4.170 0.004 0.000 0.298 50 I C 0.034 176.018 176.117 -0.221 0.000 1.185 50 I CA 0.314 61.543 61.300 -0.118 0.000 1.548 50 I CB 0.065 38.017 38.000 -0.080 0.000 1.492 50 I HN 0.126 nan 8.210 nan 0.000 0.711 51 V N 7.070 126.829 119.914 -0.258 0.000 2.472 51 V HA 0.418 4.541 4.120 0.004 0.000 0.290 51 V C -1.588 174.364 176.094 -0.237 0.000 1.037 51 V CA -1.613 60.432 62.300 -0.425 0.000 0.908 51 V CB 0.970 32.578 31.823 -0.359 0.000 0.985 51 V HN 0.470 nan 8.190 nan 0.000 0.454 52 P HA 0.128 nan 4.420 nan 0.000 0.269 52 P C 0.268 177.541 177.300 -0.045 0.000 1.205 52 P CA 0.162 63.212 63.100 -0.084 0.000 0.780 52 P CB 0.286 31.968 31.700 -0.030 0.000 0.858 53 G N -0.134 108.652 108.800 -0.024 0.000 2.467 53 G HA2 0.428 4.390 3.960 0.004 0.000 0.257 53 G HA3 0.428 4.390 3.960 0.004 0.000 0.257 53 G C 0.338 175.241 174.900 0.005 0.000 1.227 53 G CA -0.039 45.055 45.100 -0.010 0.000 0.835 53 G HN 0.899 nan 8.290 nan 0.000 0.556 54 G N -1.054 107.751 108.800 0.008 0.000 2.462 54 G HA2 0.092 4.055 3.960 0.004 0.000 0.283 54 G HA3 0.092 4.055 3.960 0.004 0.000 0.283 54 G C -0.345 174.573 174.900 0.031 0.000 1.043 54 G CA 0.049 45.159 45.100 0.016 0.000 1.300 54 G HN 1.413 nan 8.290 nan 0.000 0.518 55 V N 1.934 121.871 119.914 0.039 0.000 2.447 55 V HA 0.370 4.492 4.120 0.004 0.000 0.292 55 V C 0.612 176.734 176.094 0.047 0.000 1.021 55 V CA -1.145 61.196 62.300 0.068 0.000 0.850 55 V CB 1.793 33.691 31.823 0.126 0.000 1.005 55 V HN 0.724 nan 8.190 nan 0.000 0.426 56 K N 2.972 123.390 120.400 0.030 0.000 2.441 56 K HA 0.042 4.364 4.320 0.004 0.000 0.273 56 K C -0.038 176.573 176.600 0.019 0.000 1.090 56 K CA 0.842 57.137 56.287 0.012 0.000 1.158 56 K CB 0.114 32.611 32.500 -0.004 0.000 0.847 56 K HN 0.771 nan 8.250 nan 0.000 0.483 57 T N 5.959 120.520 114.554 0.011 0.000 2.792 57 T HA 0.422 4.775 4.350 0.004 0.000 0.280 57 T C -0.248 174.447 174.700 -0.007 0.000 0.990 57 T CA -0.603 61.502 62.100 0.009 0.000 0.960 57 T CB 0.487 69.360 68.868 0.007 0.000 0.939 57 T HN 0.437 nan 8.240 nan 0.000 0.439 58 I N 3.226 123.788 120.570 -0.013 0.000 2.330 58 I HA 0.266 4.439 4.170 0.004 0.000 0.289 58 I C 0.200 176.282 176.117 -0.057 0.000 1.001 58 I CA -0.897 60.388 61.300 -0.025 0.000 1.193 58 I CB 1.268 39.259 38.000 -0.015 0.000 1.345 58 I HN 0.373 nan 8.210 nan 0.000 0.461 59 E N 5.236 125.376 120.200 -0.100 0.000 2.180 59 E HA 0.186 4.539 4.350 0.004 0.000 0.283 59 E C 0.599 177.060 176.600 -0.232 0.000 1.061 59 E CA -0.107 56.146 56.400 -0.245 0.000 0.861 59 E CB 1.689 31.131 29.700 -0.430 0.000 1.056 59 E HN 0.745 nan 8.360 nan 0.000 0.407 60 A N 2.938 125.655 122.820 -0.171 0.000 2.021 60 A HA -0.057 4.265 4.320 0.004 0.000 0.216 60 A C 0.267 177.870 177.584 0.032 0.000 1.163 60 A CA 0.515 52.524 52.037 -0.047 0.000 0.676 60 A CB -0.503 18.490 19.000 -0.012 0.000 0.818 60 A HN 0.924 nan 8.150 nan 0.000 0.453 61 H N -0.952 118.143 119.070 0.041 0.000 2.748 61 H HA -0.139 4.419 4.556 0.004 0.000 0.322 61 H C 0.654 176.024 175.328 0.070 0.000 1.208 61 H CA 0.277 56.350 56.048 0.042 0.000 1.151 61 H CB -2.006 27.771 29.762 0.024 0.000 1.505 61 H HN 0.477 nan 8.280 nan 0.000 0.429 62 S N -1.731 114.088 115.700 0.199 0.000 3.521 62 S HA -0.270 4.203 4.470 0.004 0.000 0.328 62 S C 0.822 175.552 174.600 0.218 0.000 1.165 62 S CA 1.339 59.711 58.200 0.287 0.000 0.941 62 S CB -0.533 62.814 63.200 0.246 0.000 0.951 62 S HN 0.610 nan 8.310 nan 0.000 0.539 63 R N 0.520 121.102 120.500 0.138 0.000 2.500 63 R HA 0.596 4.939 4.340 0.004 0.000 0.277 63 R C 0.598 176.923 176.300 0.043 0.000 1.026 63 R CA -0.402 55.750 56.100 0.086 0.000 1.058 63 R CB 0.366 30.709 30.300 0.071 0.000 1.078 63 R HN 0.358 nan 8.270 nan 0.000 0.509 64 M N 2.328 121.954 119.600 0.043 0.000 2.251 64 M HA 0.079 4.561 4.480 0.004 0.000 0.343 64 M C -0.658 175.658 176.300 0.026 0.000 1.245 64 M CA 0.502 55.817 55.300 0.026 0.000 1.061 64 M CB 0.544 33.189 32.600 0.074 0.000 1.723 64 M HN 0.150 nan 8.290 nan 0.000 0.449 65 V N 6.145 126.046 119.914 -0.022 0.000 2.385 65 V HA 0.417 4.540 4.120 0.004 0.000 0.277 65 V C -0.105 175.971 176.094 -0.030 0.000 1.012 65 V CA -0.656 61.632 62.300 -0.020 0.000 0.832 65 V CB 0.821 32.610 31.823 -0.057 0.000 1.028 65 V HN 0.761 nan 8.190 nan 0.000 0.436 66 I N 2.259 122.832 120.570 0.005 0.000 2.676 66 I HA 0.744 4.916 4.170 0.004 0.000 0.309 66 I C -2.586 173.520 176.117 -0.019 0.000 0.990 66 I CA -2.873 58.420 61.300 -0.011 0.000 1.168 66 I CB 2.165 40.156 38.000 -0.016 0.000 1.343 66 I HN 0.281 nan 8.210 nan 0.000 0.482 67 P HA 0.105 nan 4.420 nan 0.000 0.266 67 P C 0.067 177.342 177.300 -0.040 0.000 1.195 67 P CA 0.134 63.216 63.100 -0.031 0.000 0.768 67 P CB 0.435 32.118 31.700 -0.029 0.000 0.838 68 G N 2.738 111.526 108.800 -0.020 0.000 2.432 68 G HA2 0.366 4.328 3.960 0.004 0.000 0.239 68 G HA3 0.366 4.328 3.960 0.004 0.000 0.239 68 G C 0.575 175.456 174.900 -0.031 0.000 1.291 68 G CA -0.132 44.963 45.100 -0.009 0.000 0.863 68 G HN 0.620 nan 8.290 nan 0.000 0.560 69 G N -0.106 108.672 108.800 -0.036 0.000 2.559 69 G HA2 0.367 4.329 3.960 0.004 0.000 0.235 69 G HA3 0.367 4.329 3.960 0.004 0.000 0.235 69 G C -0.042 174.851 174.900 -0.012 0.000 1.266 69 G CA -0.395 44.673 45.100 -0.053 0.000 0.847 69 G HN 0.676 nan 8.290 nan 0.000 0.583 70 I N 1.247 121.812 120.570 -0.010 0.000 2.389 70 I HA 0.172 4.344 4.170 0.004 0.000 0.288 70 I C -0.790 175.356 176.117 0.049 0.000 0.999 70 I CA -0.761 60.553 61.300 0.022 0.000 1.129 70 I CB 1.982 39.998 38.000 0.027 0.000 1.288 70 I HN 0.314 nan 8.210 nan 0.000 0.444 71 D N 6.365 126.805 120.400 0.066 0.000 2.396 71 D HA 0.151 4.793 4.640 0.004 0.000 0.225 71 D C 0.885 177.252 176.300 0.112 0.000 1.121 71 D CA -0.392 53.666 54.000 0.097 0.000 0.853 71 D CB 1.847 42.707 40.800 0.099 0.000 1.043 71 D HN 0.403 nan 8.370 nan 0.000 0.500 72 V N 1.972 121.990 119.914 0.174 0.000 3.510 72 V HA 0.146 4.268 4.120 0.004 0.000 0.270 72 V C 0.520 176.782 176.094 0.280 0.000 1.201 72 V CA 0.471 62.885 62.300 0.190 0.000 1.166 72 V CB -1.097 30.944 31.823 0.363 0.000 0.825 72 V HN 0.643 nan 8.190 nan 0.000 0.484 73 H N 0.688 119.861 119.070 0.172 0.000 3.198 73 H HA 0.502 5.060 4.556 0.003 0.000 0.317 73 H C -0.622 174.763 175.328 0.094 0.000 1.178 73 H CA 0.182 56.367 56.048 0.228 0.000 1.609 73 H CB 0.876 30.785 29.762 0.245 0.000 1.819 73 H HN 0.469 nan 8.280 nan 0.000 0.533 74 T N 1.760 116.446 114.554 0.221 0.000 2.908 74 T HA 0.522 4.875 4.350 0.004 0.000 0.290 74 T C 0.097 174.761 174.700 -0.060 0.000 1.034 74 T CA -1.176 60.795 62.100 -0.215 0.000 1.010 74 T CB 2.257 70.556 68.868 -0.948 0.000 1.068 74 T HN 0.612 nan 8.240 nan 0.000 0.481 75 R N 1.409 121.795 120.500 -0.190 0.000 2.738 75 R HA 0.292 4.634 4.340 0.004 0.000 0.280 75 R C -1.070 175.210 176.300 -0.035 0.000 1.456 75 R CA -0.552 55.573 56.100 0.041 0.000 1.612 75 R CB 0.182 30.596 30.300 0.191 0.000 1.286 75 R HN 0.456 nan 8.270 nan 0.000 0.660 76 F N 2.235 122.087 119.950 -0.162 0.000 2.471 76 F HA 0.008 4.538 4.527 0.005 0.000 0.353 76 F C 1.418 176.959 175.800 -0.431 0.000 1.113 76 F CA -0.664 57.058 58.000 -0.463 0.000 1.262 76 F CB 0.520 38.901 39.000 -1.032 0.000 1.146 76 F HN 0.367 nan 8.300 nan 0.000 0.578 77 Q N 0.963 120.670 119.800 -0.156 0.000 2.385 77 Q HA -0.306 4.036 4.340 0.004 0.000 0.311 77 Q C -0.287 175.622 176.000 -0.153 0.000 1.259 77 Q CA 0.425 56.074 55.803 -0.256 0.000 0.921 77 Q CB -1.748 26.713 28.738 -0.461 0.000 1.209 77 Q HN 0.747 nan 8.270 nan 0.000 0.473 78 M N 1.479 121.110 119.600 0.051 0.000 2.268 78 M HA 0.203 4.685 4.480 0.004 0.000 0.349 78 M C -2.070 174.376 176.300 0.244 0.000 1.485 78 M CA -1.639 53.831 55.300 0.285 0.000 1.094 78 M CB 0.653 33.463 32.600 0.350 0.000 1.843 78 M HN -0.002 nan 8.290 nan 0.000 0.460 79 P HA 0.084 nan 4.420 nan 0.000 0.263 79 P C -1.476 176.001 177.300 0.294 0.000 1.195 79 P CA 0.376 63.640 63.100 0.274 0.000 0.762 79 P CB 0.408 32.310 31.700 0.337 0.000 0.799 80 D N 2.532 123.072 120.400 0.233 0.000 2.591 80 D HA 0.087 4.729 4.640 0.004 0.000 0.222 80 D C -0.343 175.988 176.300 0.052 0.000 1.360 80 D CA -0.281 53.806 54.000 0.145 0.000 0.967 80 D CB 0.623 41.528 40.800 0.175 0.000 1.456 80 D HN 0.313 nan 8.370 nan 0.000 0.588 81 Q N 2.074 121.879 119.800 0.008 0.000 2.494 81 Q HA -0.233 4.109 4.340 0.004 0.000 0.266 81 Q C 0.862 176.867 176.000 0.009 0.000 1.053 81 Q CA 1.159 56.949 55.803 -0.021 0.000 1.029 81 Q CB -1.315 27.381 28.738 -0.069 0.000 1.423 81 Q HN 1.042 nan 8.270 nan 0.000 0.516 82 G N -1.231 107.594 108.800 0.043 0.000 2.199 82 G HA2 -0.325 3.637 3.960 0.004 0.000 0.254 82 G HA3 -0.325 3.637 3.960 0.004 0.000 0.254 82 G C 0.116 175.055 174.900 0.065 0.000 0.982 82 G CA 0.546 45.675 45.100 0.048 0.000 0.632 82 G HN 0.304 nan 8.290 nan 0.000 0.529 83 M N 0.847 120.503 119.600 0.093 0.000 2.537 83 M HA 0.566 5.048 4.480 0.004 0.000 0.324 83 M C -0.105 176.314 176.300 0.198 0.000 1.187 83 M CA -0.374 55.015 55.300 0.149 0.000 0.993 83 M CB 2.112 34.824 32.600 0.186 0.000 1.666 83 M HN 0.037 nan 8.290 nan 0.000 0.461 84 T N 0.794 115.430 114.554 0.136 0.000 2.794 84 T HA 0.264 4.616 4.350 0.004 0.000 0.280 84 T C -0.104 174.576 174.700 -0.033 0.000 0.987 84 T CA -0.543 61.577 62.100 0.033 0.000 0.993 84 T CB 1.504 70.308 68.868 -0.106 0.000 0.939 84 T HN 0.730 nan 8.240 nan 0.000 0.449 85 S N 1.624 117.187 115.700 -0.229 0.000 2.554 85 S HA 0.141 4.614 4.470 0.004 0.000 0.290 85 S C 1.492 175.880 174.600 -0.354 0.000 1.309 85 S CA 0.018 57.831 58.200 -0.644 0.000 1.047 85 S CB 0.152 63.041 63.200 -0.520 0.000 0.828 85 S HN 0.836 nan 8.310 nan 0.000 0.509 86 A N 3.298 125.911 122.820 -0.345 0.000 2.072 86 A HA 0.173 4.496 4.320 0.004 0.000 0.216 86 A C 0.408 177.902 177.584 -0.149 0.000 1.156 86 A CA 0.432 52.364 52.037 -0.175 0.000 0.701 86 A CB -0.068 18.865 19.000 -0.113 0.000 0.816 86 A HN 0.808 nan 8.150 nan 0.000 0.458 87 D N 1.425 121.734 120.400 -0.152 0.000 2.412 87 D HA 0.326 4.968 4.640 0.004 0.000 0.224 87 D C -0.624 175.561 176.300 -0.191 0.000 1.093 87 D CA -0.277 53.640 54.000 -0.138 0.000 0.850 87 D CB 1.233 42.022 40.800 -0.018 0.000 1.046 87 D HN 0.498 nan 8.370 nan 0.000 0.507 88 D N 0.134 120.395 120.400 -0.232 0.000 2.469 88 D HA 0.050 4.692 4.640 0.004 0.000 0.278 88 D C 0.890 176.971 176.300 -0.365 0.000 1.231 88 D CA -0.489 53.365 54.000 -0.243 0.000 1.075 88 D CB 0.269 40.971 40.800 -0.162 0.000 1.121 88 D HN 0.082 nan 8.370 nan 0.000 0.571 89 F N -1.462 118.381 119.950 -0.178 0.000 2.407 89 F HA 0.056 4.585 4.527 0.004 0.000 0.299 89 F C 1.853 177.524 175.800 -0.216 0.000 1.097 89 F CA 0.335 58.225 58.000 -0.183 0.000 1.422 89 F CB -0.307 38.660 39.000 -0.055 0.000 1.067 89 F HN 0.280 nan 8.300 nan 0.000 0.539 90 F N 0.700 120.586 119.950 -0.107 0.000 2.059 90 F HA -0.143 4.386 4.527 0.004 0.000 0.289 90 F C 2.579 178.234 175.800 -0.243 0.000 1.128 90 F CA 1.453 59.368 58.000 -0.141 0.000 1.181 90 F CB -0.788 38.150 39.000 -0.103 0.000 1.012 90 F HN -0.261 nan 8.300 nan 0.000 0.473 91 Q N 0.940 120.521 119.800 -0.366 0.000 2.077 91 Q HA -0.127 4.215 4.340 0.004 0.000 0.206 91 Q C 2.451 178.069 176.000 -0.638 0.000 0.989 91 Q CA 1.726 57.237 55.803 -0.487 0.000 0.853 91 Q CB -1.522 27.066 28.738 -0.249 0.000 0.907 91 Q HN 0.613 nan 8.270 nan 0.000 0.418 92 G N -0.087 108.175 108.800 -0.896 0.000 2.545 92 G HA2 -0.310 3.653 3.960 0.004 0.000 0.217 92 G HA3 -0.310 3.653 3.960 0.004 0.000 0.217 92 G C 1.477 175.712 174.900 -1.108 0.000 1.218 92 G CA 2.283 46.424 45.100 -1.599 0.000 0.787 92 G HN 0.556 nan 8.290 nan 0.000 0.571 93 T N -1.011 113.030 114.554 -0.855 0.000 2.951 93 T HA 0.017 4.370 4.350 0.004 0.000 0.268 93 T C 2.100 176.624 174.700 -0.294 0.000 1.073 93 T CA 1.678 63.595 62.100 -0.306 0.000 1.134 93 T CB -0.105 68.708 68.868 -0.091 0.000 0.884 93 T HN 0.420 nan 8.240 nan 0.000 0.479 94 K N 1.579 121.693 120.400 -0.476 0.000 2.026 94 K HA 0.026 4.348 4.320 0.004 0.000 0.208 94 K C 2.596 179.012 176.600 -0.307 0.000 1.048 94 K CA 1.297 57.309 56.287 -0.460 0.000 0.929 94 K CB -0.663 31.384 32.500 -0.755 0.000 0.713 94 K HN 0.390 nan 8.250 nan 0.000 0.439 95 A N 0.888 123.510 122.820 -0.329 0.000 1.898 95 A HA -0.044 4.278 4.320 0.004 0.000 0.216 95 A C 2.329 179.828 177.584 -0.141 0.000 1.181 95 A CA 1.698 53.600 52.037 -0.226 0.000 0.620 95 A CB -0.857 17.980 19.000 -0.271 0.000 0.819 95 A HN 0.497 nan 8.150 nan 0.000 0.442 96 A N 0.015 122.751 122.820 -0.141 0.000 1.873 96 A HA -0.144 4.179 4.320 0.004 0.000 0.218 96 A C 2.158 179.737 177.584 -0.007 0.000 1.193 96 A CA 1.735 53.756 52.037 -0.026 0.000 0.629 96 A CB -0.764 18.266 19.000 0.050 0.000 0.826 96 A HN 0.477 nan 8.150 nan 0.000 0.447 97 L N -0.732 120.469 121.223 -0.037 0.000 2.131 97 L HA -0.166 4.177 4.340 0.004 0.000 0.210 97 L C 2.945 179.810 176.870 -0.008 0.000 1.092 97 L CA 0.928 55.760 54.840 -0.013 0.000 0.759 97 L CB -0.455 41.586 42.059 -0.029 0.000 0.903 97 L HN 0.428 nan 8.230 nan 0.000 0.435 98 A N -0.120 122.676 122.820 -0.040 0.000 2.131 98 A HA -0.090 4.232 4.320 0.004 0.000 0.220 98 A C 2.197 179.782 177.584 0.002 0.000 1.158 98 A CA 1.648 53.664 52.037 -0.034 0.000 0.665 98 A CB -0.767 18.196 19.000 -0.061 0.000 0.795 98 A HN 0.471 nan 8.150 nan 0.000 0.460 99 G N -2.782 106.041 108.800 0.039 0.000 2.939 99 G HA2 0.400 4.362 3.960 0.004 0.000 0.216 99 G HA3 0.400 4.362 3.960 0.004 0.000 0.216 99 G C 0.958 175.979 174.900 0.202 0.000 1.125 99 G CA 0.501 45.661 45.100 0.101 0.000 0.766 99 G HN 1.571 nan 8.290 nan 0.000 0.541 100 G N -0.835 108.059 108.800 0.157 0.000 2.159 100 G HA2 -0.175 3.787 3.960 0.004 0.000 0.170 100 G HA3 -0.175 3.787 3.960 0.004 0.000 0.170 100 G C 0.068 175.035 174.900 0.112 0.000 1.007 100 G CA 0.116 45.333 45.100 0.194 0.000 0.672 100 G HN 0.478 nan 8.290 nan 0.000 0.507 101 T N 1.421 116.025 114.554 0.083 0.000 2.749 101 T HA 0.544 4.896 4.350 0.004 0.000 0.287 101 T C 1.190 175.922 174.700 0.054 0.000 0.970 101 T CA 0.489 62.625 62.100 0.060 0.000 0.980 101 T CB 1.359 70.269 68.868 0.071 0.000 0.924 101 T HN 0.617 nan 8.240 nan 0.000 0.456 102 T N 0.534 115.114 114.554 0.044 0.000 3.040 102 T HA 0.462 4.814 4.350 0.004 0.000 0.266 102 T C 0.201 174.931 174.700 0.049 0.000 1.005 102 T CA -0.366 61.759 62.100 0.042 0.000 0.906 102 T CB 0.121 69.005 68.868 0.028 0.000 1.082 102 T HN 0.481 nan 8.240 nan 0.000 0.531 103 M N 1.862 121.494 119.600 0.053 0.000 2.484 103 M HA 0.678 5.161 4.480 0.004 0.000 0.289 103 M C -2.188 174.165 176.300 0.088 0.000 1.206 103 M CA -1.476 53.862 55.300 0.063 0.000 0.892 103 M CB 2.494 35.103 32.600 0.016 0.000 1.712 103 M HN 0.286 nan 8.290 nan 0.000 0.462 104 I N 2.023 122.673 120.570 0.132 0.000 2.647 104 I HA 0.645 4.817 4.170 0.004 0.000 0.295 104 I C -1.712 174.463 176.117 0.096 0.000 1.078 104 I CA -0.532 60.853 61.300 0.141 0.000 1.048 104 I CB 1.945 40.100 38.000 0.258 0.000 1.239 104 I HN 0.607 nan 8.210 nan 0.000 0.421 105 I N 4.632 125.193 120.570 -0.015 0.000 2.382 105 I HA 0.455 4.627 4.170 0.004 0.000 0.286 105 I C -0.529 175.526 176.117 -0.103 0.000 1.002 105 I CA -0.389 60.791 61.300 -0.200 0.000 1.135 105 I CB 1.275 38.915 38.000 -0.600 0.000 1.288 105 I HN 0.688 nan 8.210 nan 0.000 0.448 106 D N 4.265 124.669 120.400 0.006 0.000 2.494 106 D HA 0.385 5.028 4.640 0.004 0.000 0.259 106 D C -0.872 175.430 176.300 0.002 0.000 1.109 106 D CA -0.406 53.688 54.000 0.156 0.000 1.040 106 D CB 1.644 42.733 40.800 0.482 0.000 1.175 106 D HN 0.478 nan 8.370 nan 0.000 0.584 107 H N 0.345 119.488 119.070 0.121 0.000 2.727 107 H HA 0.258 4.816 4.556 0.004 0.000 0.330 107 H C -0.673 174.385 175.328 -0.450 0.000 0.986 107 H CA -0.544 55.470 56.048 -0.057 0.000 1.251 107 H CB 1.680 31.448 29.762 0.010 0.000 1.493 107 H HN 0.036 nan 8.280 nan 0.000 0.515 108 V N 5.058 124.596 119.914 -0.627 0.000 2.446 108 V HA 0.001 4.123 4.120 0.004 0.000 0.276 108 V C 0.445 176.044 176.094 -0.826 0.000 1.030 108 V CA -0.203 61.340 62.300 -1.261 0.000 1.033 108 V CB 0.676 32.163 31.823 -0.561 0.000 0.993 108 V HN 0.424 nan 8.190 nan 0.000 0.477 109 V N 8.023 127.293 119.914 -1.074 0.000 2.266 109 V HA 0.325 4.447 4.120 0.004 0.000 0.271 109 V C -2.197 173.863 176.094 -0.057 0.000 1.032 109 V CA -1.634 60.482 62.300 -0.308 0.000 0.806 109 V CB 1.105 32.941 31.823 0.022 0.000 1.052 109 V HN 0.747 nan 8.190 nan 0.000 0.449 110 P HA 0.333 nan 4.420 nan 0.000 0.285 110 P C -0.268 177.123 177.300 0.151 0.000 1.259 110 P CA -0.413 62.748 63.100 0.102 0.000 0.794 110 P CB 1.049 32.788 31.700 0.066 0.000 0.940 111 E N 4.640 124.966 120.200 0.210 0.000 2.414 111 E HA 0.122 4.474 4.350 0.004 0.000 0.263 111 E C -2.115 174.602 176.600 0.196 0.000 1.000 111 E CA -1.876 54.660 56.400 0.227 0.000 0.914 111 E CB -0.685 29.128 29.700 0.190 0.000 0.948 111 E HN 0.307 nan 8.360 nan 0.000 0.444 112 P HA 0.068 nan 4.420 nan 0.000 0.265 112 P C 0.323 177.711 177.300 0.147 0.000 1.187 112 P CA 1.239 64.453 63.100 0.190 0.000 0.766 112 P CB 0.566 32.383 31.700 0.194 0.000 0.820 113 G N 0.928 109.816 108.800 0.147 0.000 2.175 113 G HA2 -0.173 3.789 3.960 0.004 0.000 0.244 113 G HA3 -0.173 3.789 3.960 0.004 0.000 0.244 113 G C 0.146 175.111 174.900 0.107 0.000 0.982 113 G CA 0.260 45.431 45.100 0.118 0.000 0.641 113 G HN 0.912 nan 8.290 nan 0.000 0.527 114 T N -1.185 113.440 114.554 0.118 0.000 2.893 114 T HA 0.733 5.086 4.350 0.004 0.000 0.293 114 T C 0.377 175.135 174.700 0.098 0.000 1.027 114 T CA 0.749 62.909 62.100 0.100 0.000 0.988 114 T CB 1.742 70.671 68.868 0.103 0.000 1.043 114 T HN 1.623 nan 8.240 nan 0.000 0.461 115 S N 3.527 119.275 115.700 0.080 0.000 2.572 115 S HA 0.232 4.704 4.470 0.004 0.000 0.279 115 S C 1.552 176.189 174.600 0.062 0.000 1.341 115 S CA -0.812 57.429 58.200 0.067 0.000 1.043 115 S CB 0.030 63.261 63.200 0.050 0.000 0.887 115 S HN 0.715 nan 8.310 nan 0.000 0.516 116 L N 1.206 122.461 121.223 0.053 0.000 2.083 116 L HA -0.100 4.243 4.340 0.004 0.000 0.209 116 L C 2.078 178.983 176.870 0.059 0.000 1.083 116 L CA 0.830 55.706 54.840 0.061 0.000 0.752 116 L CB -0.750 41.353 42.059 0.073 0.000 0.899 116 L HN 0.571 nan 8.230 nan 0.000 0.433 117 L N 0.035 121.267 121.223 0.015 0.000 2.141 117 L HA -0.078 4.265 4.340 0.004 0.000 0.209 117 L C 2.737 179.623 176.870 0.028 0.000 1.094 117 L CA 1.839 56.658 54.840 -0.034 0.000 0.763 117 L CB -1.219 40.790 42.059 -0.083 0.000 0.908 117 L HN 0.146 nan 8.230 nan 0.000 0.437 118 A N -0.720 122.120 122.820 0.033 0.000 1.930 118 A HA 0.024 4.346 4.320 0.004 0.000 0.215 118 A C 2.507 180.110 177.584 0.031 0.000 1.176 118 A CA 1.284 53.336 52.037 0.024 0.000 0.632 118 A CB -0.763 18.253 19.000 0.027 0.000 0.819 118 A HN 0.328 nan 8.150 nan 0.000 0.445 119 A N -0.838 122.027 122.820 0.076 0.000 1.883 119 A HA -0.091 4.231 4.320 0.004 0.000 0.217 119 A C 2.035 179.699 177.584 0.134 0.000 1.186 119 A CA 1.676 53.790 52.037 0.129 0.000 0.624 119 A CB -0.794 18.266 19.000 0.100 0.000 0.822 119 A HN 0.658 nan 8.150 nan 0.000 0.444 120 F N 1.341 121.259 119.950 -0.053 0.000 2.095 120 F HA -0.226 4.303 4.527 0.003 0.000 0.298 120 F C 1.786 177.529 175.800 -0.095 0.000 1.104 120 F CA 2.285 60.229 58.000 -0.094 0.000 1.232 120 F CB -0.278 38.611 39.000 -0.184 0.000 0.987 120 F HN 0.251 nan 8.300 nan 0.000 0.475 121 D N -0.238 120.099 120.400 -0.106 0.000 2.144 121 D HA -0.173 4.469 4.640 0.004 0.000 0.199 121 D C 2.291 178.411 176.300 -0.300 0.000 0.984 121 D CA 0.947 54.824 54.000 -0.205 0.000 0.834 121 D CB -0.432 40.314 40.800 -0.089 0.000 0.955 121 D HN 0.348 nan 8.370 nan 0.000 0.465 122 Q N -0.547 119.073 119.800 -0.301 0.000 2.020 122 Q HA -0.140 4.202 4.340 0.004 0.000 0.202 122 Q C 2.319 177.748 176.000 -0.952 0.000 0.982 122 Q CA 0.934 56.355 55.803 -0.636 0.000 0.838 122 Q CB -0.450 27.887 28.738 -0.669 0.000 0.899 122 Q HN 0.520 nan 8.270 nan 0.000 0.423 123 W N 1.005 121.844 121.300 -0.768 0.000 2.338 123 W HA -0.194 4.469 4.660 0.004 0.000 0.304 123 W C 2.090 178.334 176.519 -0.458 0.000 1.212 123 W CA 0.931 57.998 57.345 -0.464 0.000 1.264 123 W CB -0.103 29.240 29.460 -0.195 0.000 1.142 123 W HN 0.218 nan 8.180 nan 0.000 0.512 124 R N 0.323 120.603 120.500 -0.367 0.000 2.081 124 R HA -0.173 4.169 4.340 0.004 0.000 0.235 124 R C 1.881 178.022 176.300 -0.265 0.000 1.131 124 R CA 1.521 57.400 56.100 -0.370 0.000 0.960 124 R CB -1.015 28.949 30.300 -0.560 0.000 0.856 124 R HN 0.382 nan 8.270 nan 0.000 0.436 125 E N -0.400 119.624 120.200 -0.294 0.000 2.058 125 E HA -0.199 4.153 4.350 0.004 0.000 0.194 125 E C 1.656 178.197 176.600 -0.099 0.000 0.997 125 E CA 1.135 57.417 56.400 -0.197 0.000 0.801 125 E CB -0.057 29.497 29.700 -0.242 0.000 0.746 125 E HN 0.267 nan 8.360 nan 0.000 0.450 126 W N 0.203 121.341 121.300 -0.270 0.000 2.355 126 W HA -0.010 4.652 4.660 0.003 0.000 0.309 126 W C 2.432 178.665 176.519 -0.476 0.000 1.206 126 W CA 1.061 58.226 57.345 -0.301 0.000 1.284 126 W CB -1.182 28.093 29.460 -0.307 0.000 1.145 126 W HN 0.245 nan 8.180 nan 0.000 0.502 127 A N 0.059 122.512 122.820 -0.612 0.000 1.930 127 A HA -0.136 4.186 4.320 0.004 0.000 0.215 127 A C 1.728 178.966 177.584 -0.577 0.000 1.176 127 A CA 1.733 53.068 52.037 -1.169 0.000 0.632 127 A CB -0.737 17.132 19.000 -1.885 0.000 0.819 127 A HN 0.063 nan 8.150 nan 0.000 0.445 128 D N 0.068 120.316 120.400 -0.253 0.000 2.264 128 D HA -0.100 4.542 4.640 0.004 0.000 0.208 128 D C 2.230 178.517 176.300 -0.021 0.000 0.966 128 D CA 1.638 55.626 54.000 -0.020 0.000 0.864 128 D CB -0.069 40.744 40.800 0.021 0.000 0.933 128 D HN 0.597 nan 8.370 nan 0.000 0.499 129 S N -1.000 114.672 115.700 -0.046 0.000 2.492 129 S HA 0.126 4.598 4.470 0.004 0.000 0.218 129 S C 1.636 176.234 174.600 -0.005 0.000 1.016 129 S CA 0.056 58.248 58.200 -0.014 0.000 0.916 129 S CB 0.445 63.643 63.200 -0.004 0.000 0.791 129 S HN 0.023 nan 8.310 nan 0.000 0.513 130 K N 0.959 121.358 120.400 -0.001 0.000 2.399 130 K HA 0.318 4.640 4.320 0.004 0.000 0.196 130 K C 0.443 177.125 176.600 0.136 0.000 1.117 130 K CA 0.072 56.405 56.287 0.077 0.000 0.965 130 K CB 0.537 33.108 32.500 0.119 0.000 0.983 130 K HN 0.239 nan 8.250 nan 0.000 0.531 131 S N 0.543 116.266 115.700 0.037 0.000 2.525 131 S HA -0.046 4.426 4.470 0.004 0.000 0.285 131 S C 1.087 175.753 174.600 0.110 0.000 1.283 131 S CA -0.468 57.772 58.200 0.067 0.000 1.072 131 S CB 0.300 63.463 63.200 -0.061 0.000 0.867 131 S HN 0.319 nan 8.310 nan 0.000 0.492 132 C N 4.404 123.758 119.300 0.089 0.000 2.495 132 C HA 0.198 4.660 4.460 0.004 0.000 0.275 132 C C 1.344 176.377 174.990 0.071 0.000 1.392 132 C CA -0.322 58.738 59.018 0.069 0.000 1.766 132 C CB -1.920 25.798 27.740 -0.037 0.000 1.933 132 C HN 0.964 nan 8.230 nan 0.000 0.519 133 C N -0.961 118.398 119.300 0.099 0.000 2.913 133 C HA 0.637 5.099 4.460 0.004 0.000 0.322 133 C C -0.678 174.420 174.990 0.180 0.000 1.292 133 C CA -1.140 57.946 59.018 0.112 0.000 1.649 133 C CB 0.258 28.055 27.740 0.095 0.000 2.139 133 C HN 0.284 nan 8.230 nan 0.000 0.475 134 D N 0.946 121.427 120.400 0.135 0.000 2.443 134 D HA 0.419 5.061 4.640 0.004 0.000 0.234 134 D C -0.470 175.952 176.300 0.202 0.000 1.172 134 D CA 1.167 55.242 54.000 0.125 0.000 0.878 134 D CB 0.168 40.981 40.800 0.021 0.000 1.204 134 D HN 0.856 nan 8.370 nan 0.000 0.453 135 Y N -1.976 118.325 120.300 0.003 0.000 2.641 135 Y HA 0.571 5.123 4.550 0.003 0.000 0.333 135 Y C -1.179 174.677 175.900 -0.073 0.000 1.174 135 Y CA -0.896 57.218 58.100 0.023 0.000 1.057 135 Y CB 0.971 39.512 38.460 0.135 0.000 1.322 135 Y HN 0.280 nan 8.280 nan 0.000 0.457 136 S N 1.335 116.971 115.700 -0.106 0.000 2.688 136 S HA 0.825 5.298 4.470 0.004 0.000 0.275 136 S C -2.288 172.305 174.600 -0.011 0.000 1.175 136 S CA -0.891 57.126 58.200 -0.304 0.000 0.818 136 S CB 1.377 64.282 63.200 -0.491 0.000 1.157 136 S HN 0.792 nan 8.310 nan 0.000 0.482 137 L N 2.779 123.997 121.223 -0.007 0.000 2.406 137 L HA 0.505 4.847 4.340 0.004 0.000 0.272 137 L C -1.029 175.661 176.870 -0.300 0.000 0.980 137 L CA -0.743 54.080 54.840 -0.029 0.000 0.831 137 L CB 1.711 43.918 42.059 0.247 0.000 1.253 137 L HN 0.763 nan 8.230 nan 0.000 0.406 138 H N 1.408 120.251 119.070 -0.379 0.000 2.629 138 H HA 0.372 4.931 4.556 0.005 0.000 0.357 138 H C -0.412 174.704 175.328 -0.354 0.000 1.121 138 H CA -0.409 55.339 56.048 -0.501 0.000 1.406 138 H CB 1.427 30.712 29.762 -0.796 0.000 1.456 138 H HN 0.189 nan 8.280 nan 0.000 0.579 139 V N 3.311 123.098 119.914 -0.211 0.000 2.384 139 V HA 0.115 4.237 4.120 0.004 0.000 0.287 139 V C -0.336 175.782 176.094 0.041 0.000 1.020 139 V CA -0.764 61.477 62.300 -0.098 0.000 0.850 139 V CB 1.308 33.094 31.823 -0.061 0.000 0.987 139 V HN 0.779 nan 8.190 nan 0.000 0.436 140 D N 4.027 124.436 120.400 0.016 0.000 2.225 140 D HA 0.537 5.180 4.640 0.004 0.000 0.249 140 D C -0.294 176.035 176.300 0.049 0.000 1.052 140 D CA 0.007 54.030 54.000 0.039 0.000 0.909 140 D CB 1.953 42.760 40.800 0.012 0.000 1.186 140 D HN 0.351 nan 8.370 nan 0.000 0.431 141 I N 1.499 122.114 120.570 0.075 0.000 2.390 141 I HA 0.053 4.225 4.170 0.004 0.000 0.283 141 I C 0.991 177.160 176.117 0.087 0.000 1.016 141 I CA -0.209 61.146 61.300 0.091 0.000 1.151 141 I CB 1.302 39.374 38.000 0.119 0.000 1.293 141 I HN 0.322 nan 8.210 nan 0.000 0.458 142 S N 3.806 119.513 115.700 0.012 0.000 2.524 142 S HA 0.166 4.638 4.470 0.004 0.000 0.216 142 S C 0.327 175.054 174.600 0.212 0.000 0.987 142 S CA -0.144 58.042 58.200 -0.022 0.000 0.909 142 S CB -0.059 63.076 63.200 -0.109 0.000 0.781 142 S HN 0.754 nan 8.310 nan 0.000 0.521 143 E N -0.853 119.457 120.200 0.182 0.000 2.407 143 E HA 0.318 4.671 4.350 0.004 0.000 0.279 143 E C -1.890 174.840 176.600 0.217 0.000 1.012 143 E CA -1.128 55.401 56.400 0.215 0.000 0.800 143 E CB 0.507 30.331 29.700 0.206 0.000 1.276 143 E HN 0.367 nan 8.360 nan 0.000 0.452 144 W N 3.679 124.974 121.300 -0.009 0.000 2.587 144 W HA 0.416 5.078 4.660 0.002 0.000 0.324 144 W C -1.448 175.064 176.519 -0.013 0.000 1.040 144 W CA -0.344 56.956 57.345 -0.075 0.000 1.222 144 W CB 1.588 31.044 29.460 -0.007 0.000 1.381 144 W HN 0.963 nan 8.180 nan 0.000 0.483 145 H N 1.504 120.294 119.070 -0.467 0.000 2.918 145 H HA 0.393 4.951 4.556 0.003 0.000 0.303 145 H C -0.138 174.791 175.328 -0.665 0.000 1.380 145 H CA -0.892 54.894 56.048 -0.436 0.000 1.134 145 H CB 0.880 30.535 29.762 -0.178 0.000 1.842 145 H HN 0.149 nan 8.280 nan 0.000 0.533 146 K N -0.058 120.269 120.400 -0.121 0.000 2.362 146 K HA 0.125 4.447 4.320 0.004 0.000 0.200 146 K C 1.781 178.293 176.600 -0.148 0.000 1.046 146 K CA 1.279 57.442 56.287 -0.208 0.000 0.952 146 K CB -0.226 32.213 32.500 -0.102 0.000 0.753 146 K HN 0.754 nan 8.250 nan 0.000 0.466 147 G N -0.022 108.834 108.800 0.092 0.000 2.880 147 G HA2 -0.043 3.919 3.960 0.004 0.000 0.209 147 G HA3 -0.043 3.919 3.960 0.004 0.000 0.209 147 G C 1.154 175.995 174.900 -0.098 0.000 1.157 147 G CA -0.088 45.042 45.100 0.049 0.000 0.779 147 G HN 0.070 nan 8.290 nan 0.000 0.539 148 I N 0.462 120.785 120.570 -0.411 0.000 2.286 148 I HA -0.129 4.043 4.170 0.004 0.000 0.245 148 I C 2.688 178.667 176.117 -0.229 0.000 1.104 148 I CA 0.818 61.881 61.300 -0.395 0.000 1.397 148 I CB -0.994 36.689 38.000 -0.529 0.000 1.072 148 I HN 0.253 nan 8.210 nan 0.000 0.417 149 Q N 0.902 120.524 119.800 -0.296 0.000 2.103 149 Q HA -0.295 4.047 4.340 0.004 0.000 0.213 149 Q C 2.084 178.049 176.000 -0.059 0.000 1.008 149 Q CA 2.380 58.126 55.803 -0.095 0.000 0.879 149 Q CB -0.198 28.485 28.738 -0.092 0.000 0.946 149 Q HN 0.604 nan 8.270 nan 0.000 0.413 150 E N -0.093 120.070 120.200 -0.060 0.000 2.110 150 E HA -0.176 4.176 4.350 0.004 0.000 0.193 150 E C 1.938 178.531 176.600 -0.011 0.000 0.988 150 E CA 0.994 57.379 56.400 -0.024 0.000 0.804 150 E CB 0.002 29.691 29.700 -0.018 0.000 0.745 150 E HN 0.430 nan 8.360 nan 0.000 0.458 151 E N 0.380 120.567 120.200 -0.022 0.000 2.107 151 E HA -0.126 4.226 4.350 0.004 0.000 0.191 151 E C 2.132 178.743 176.600 0.018 0.000 0.982 151 E CA 0.810 57.210 56.400 -0.000 0.000 0.809 151 E CB -0.095 29.602 29.700 -0.004 0.000 0.756 151 E HN 0.319 nan 8.360 nan 0.000 0.459 152 M N 0.835 120.411 119.600 -0.040 0.000 2.086 152 M HA -0.167 4.316 4.480 0.004 0.000 0.261 152 M C 2.122 178.441 176.300 0.033 0.000 1.067 152 M CA 1.512 56.746 55.300 -0.111 0.000 1.116 152 M CB -0.265 32.051 32.600 -0.472 0.000 1.348 152 M HN 0.041 nan 8.290 nan 0.000 0.407 153 E N 0.457 120.656 120.200 -0.001 0.000 2.085 153 E HA -0.199 4.153 4.350 0.004 0.000 0.194 153 E C 2.095 178.726 176.600 0.052 0.000 0.994 153 E CA 1.431 57.849 56.400 0.030 0.000 0.801 153 E CB -0.176 29.534 29.700 0.017 0.000 0.743 153 E HN 0.519 nan 8.360 nan 0.000 0.453 154 A N 1.012 123.866 122.820 0.056 0.000 1.855 154 A HA -0.146 4.177 4.320 0.004 0.000 0.215 154 A C 2.198 179.863 177.584 0.134 0.000 1.191 154 A CA 0.987 53.071 52.037 0.078 0.000 0.613 154 A CB -0.699 18.354 19.000 0.088 0.000 0.829 154 A HN 0.135 nan 8.150 nan 0.000 0.442 155 L N -0.363 120.939 121.223 0.132 0.000 2.042 155 L HA -0.204 4.138 4.340 0.004 0.000 0.210 155 L C 2.548 179.441 176.870 0.039 0.000 1.076 155 L CA 1.244 56.121 54.840 0.061 0.000 0.749 155 L CB -0.502 41.546 42.059 -0.018 0.000 0.893 155 L HN 0.273 nan 8.230 nan 0.000 0.432 156 V N -0.441 119.538 119.914 0.108 0.000 2.270 156 V HA -0.286 3.837 4.120 0.004 0.000 0.245 156 V C 2.459 178.562 176.094 0.015 0.000 1.043 156 V CA 1.758 64.096 62.300 0.064 0.000 1.014 156 V CB -0.464 31.418 31.823 0.100 0.000 0.645 156 V HN 0.369 nan 8.190 nan 0.000 0.447 157 K N 0.039 120.447 120.400 0.014 0.000 1.991 157 K HA -0.174 4.148 4.320 0.004 0.000 0.212 157 K C 1.687 178.241 176.600 -0.077 0.000 1.049 157 K CA 2.007 58.284 56.287 -0.016 0.000 0.932 157 K CB -0.173 32.320 32.500 -0.012 0.000 0.717 157 K HN 0.490 nan 8.250 nan 0.000 0.441 158 D N -1.646 118.654 120.400 -0.167 0.000 2.417 158 D HA 0.022 4.664 4.640 0.004 0.000 0.207 158 D C 0.859 176.824 176.300 -0.557 0.000 1.075 158 D CA 0.534 54.314 54.000 -0.367 0.000 0.851 158 D CB 0.483 40.984 40.800 -0.499 0.000 0.976 158 D HN 0.325 nan 8.370 nan 0.000 0.505 159 H N -0.134 118.869 119.070 -0.111 0.000 2.674 159 H HA 0.299 4.857 4.556 0.004 0.000 0.274 159 H C 0.943 176.243 175.328 -0.047 0.000 1.121 159 H CA 0.337 56.281 56.048 -0.174 0.000 1.132 159 H CB 1.154 30.572 29.762 -0.574 0.000 1.606 159 H HN 0.075 nan 8.280 nan 0.000 0.558 160 G N 1.769 110.599 108.800 0.050 0.000 2.298 160 G HA2 -0.248 3.714 3.960 0.004 0.000 0.287 160 G HA3 -0.248 3.714 3.960 0.004 0.000 0.287 160 G C -0.205 174.729 174.900 0.057 0.000 1.075 160 G CA 0.401 45.550 45.100 0.083 0.000 0.960 160 G HN 0.218 nan 8.290 nan 0.000 0.502 161 V N 0.457 120.346 119.914 -0.042 0.000 2.555 161 V HA 0.623 4.745 4.120 0.004 0.000 0.302 161 V C 0.482 176.478 176.094 -0.162 0.000 1.038 161 V CA -0.183 62.028 62.300 -0.148 0.000 0.887 161 V CB 2.049 33.689 31.823 -0.306 0.000 0.991 161 V HN 0.609 nan 8.190 nan 0.000 0.434 162 N N 1.077 119.667 118.700 -0.183 0.000 2.194 162 N HA 0.142 4.884 4.740 0.004 0.000 0.231 162 N C -0.309 175.152 175.510 -0.081 0.000 1.247 162 N CA 0.040 53.029 53.050 -0.102 0.000 0.884 162 N CB 0.968 39.432 38.487 -0.039 0.000 1.146 162 N HN 0.597 nan 8.380 nan 0.000 0.516 163 S N -0.965 114.549 115.700 -0.309 0.000 2.535 163 S HA 0.748 5.220 4.470 0.004 0.000 0.272 163 S C -1.476 172.806 174.600 -0.531 0.000 1.149 163 S CA -0.850 57.239 58.200 -0.186 0.000 0.888 163 S CB 0.775 64.023 63.200 0.080 0.000 1.110 163 S HN 0.042 nan 8.310 nan 0.000 0.463 164 F N 0.940 120.887 119.950 -0.005 0.000 2.601 164 F HA 0.690 5.219 4.527 0.004 0.000 0.309 164 F C -0.652 175.113 175.800 -0.058 0.000 1.089 164 F CA -0.887 57.097 58.000 -0.027 0.000 0.940 164 F CB 2.040 41.026 39.000 -0.025 0.000 1.273 164 F HN 0.739 nan 8.300 nan 0.000 0.450 165 L N 3.851 125.140 121.223 0.110 0.000 2.346 165 L HA 0.908 5.251 4.340 0.004 0.000 0.274 165 L C -1.183 175.632 176.870 -0.091 0.000 1.007 165 L CA -0.873 53.940 54.840 -0.046 0.000 0.818 165 L CB 1.687 43.653 42.059 -0.155 0.000 1.284 165 L HN 0.522 nan 8.230 nan 0.000 0.424 166 V N 0.830 120.669 119.914 -0.125 0.000 2.769 166 V HA 0.563 4.685 4.120 0.004 0.000 0.312 166 V C -1.292 174.741 176.094 -0.102 0.000 1.061 166 V CA -0.675 61.584 62.300 -0.069 0.000 0.931 166 V CB 1.570 33.375 31.823 -0.030 0.000 1.010 166 V HN 0.638 nan 8.190 nan 0.000 0.433 167 Y N 3.135 123.521 120.300 0.143 0.000 2.341 167 Y HA 0.594 5.145 4.550 0.002 0.000 0.337 167 Y C 1.119 177.124 175.900 0.175 0.000 1.014 167 Y CA -0.724 57.510 58.100 0.222 0.000 1.111 167 Y CB 2.156 40.820 38.460 0.341 0.000 1.194 167 Y HN 0.612 nan 8.280 nan 0.000 0.462 168 M N 1.578 121.358 119.600 0.299 0.000 2.465 168 M HA 0.269 4.751 4.480 0.004 0.000 0.249 168 M C 0.749 177.135 176.300 0.144 0.000 1.130 168 M CA 0.181 55.594 55.300 0.189 0.000 1.067 168 M CB 0.492 33.172 32.600 0.134 0.000 1.394 168 M HN 0.692 nan 8.290 nan 0.000 0.483 169 A N -0.326 122.571 122.820 0.127 0.000 2.298 169 A HA 0.687 5.010 4.320 0.004 0.000 0.302 169 A C -0.401 177.110 177.584 -0.121 0.000 1.177 169 A CA -0.510 51.429 52.037 -0.162 0.000 0.912 169 A CB 0.138 18.827 19.000 -0.519 0.000 1.331 169 A HN 0.421 nan 8.150 nan 0.000 0.504 170 F N -1.503 118.437 119.950 -0.015 0.000 2.781 170 F HA -0.134 4.396 4.527 0.005 0.000 0.350 170 F C 0.557 176.316 175.800 -0.069 0.000 1.048 170 F CA 0.856 58.798 58.000 -0.097 0.000 1.134 170 F CB -1.749 37.113 39.000 -0.230 0.000 1.440 170 F HN 0.673 nan 8.300 nan 0.000 0.799 171 K N 1.536 121.977 120.400 0.067 0.000 2.485 171 K HA 0.027 4.349 4.320 0.004 0.000 0.277 171 K C 0.832 177.453 176.600 0.034 0.000 0.990 171 K CA 0.683 57.002 56.287 0.052 0.000 0.994 171 K CB 0.303 32.819 32.500 0.026 0.000 0.906 171 K HN 0.423 nan 8.250 nan 0.000 0.488 172 D N 1.486 121.909 120.400 0.038 0.000 2.751 172 D HA -0.222 4.421 4.640 0.004 0.000 0.233 172 D C 0.441 176.726 176.300 -0.024 0.000 1.149 172 D CA 1.131 55.141 54.000 0.017 0.000 0.682 172 D CB -0.419 40.384 40.800 0.006 0.000 1.068 172 D HN 0.712 nan 8.370 nan 0.000 0.429 173 R N -1.774 118.702 120.500 -0.039 0.000 5.225 173 R HA 0.128 4.471 4.340 0.004 0.000 0.088 173 R C 0.667 176.902 176.300 -0.109 0.000 0.705 173 R CA -0.073 55.900 56.100 -0.212 0.000 1.064 173 R CB 0.155 30.199 30.300 -0.426 0.000 1.417 173 R HN 0.022 nan 8.270 nan 0.000 0.390 174 F N 1.362 121.301 119.950 -0.018 0.000 2.778 174 F HA 0.367 4.895 4.527 0.002 0.000 0.314 174 F C 0.564 176.439 175.800 0.126 0.000 1.073 174 F CA -0.245 57.736 58.000 -0.030 0.000 1.218 174 F CB -0.319 38.440 39.000 -0.401 0.000 1.037 174 F HN 0.090 nan 8.300 nan 0.000 0.594 175 Q N 1.891 121.888 119.800 0.328 0.000 2.304 175 Q HA 0.118 4.461 4.340 0.004 0.000 0.301 175 Q C -1.145 174.988 176.000 0.221 0.000 1.063 175 Q CA 0.311 56.278 55.803 0.273 0.000 0.947 175 Q CB 0.529 29.374 28.738 0.178 0.000 1.201 175 Q HN 0.037 nan 8.270 nan 0.000 0.389 176 L N 2.784 124.126 121.223 0.198 0.000 2.330 176 L HA 0.423 4.765 4.340 0.004 0.000 0.271 176 L C 0.318 177.250 176.870 0.103 0.000 1.013 176 L CA -0.262 54.665 54.840 0.145 0.000 0.816 176 L CB 1.704 43.829 42.059 0.109 0.000 1.287 176 L HN 0.848 nan 8.230 nan 0.000 0.435 177 T N -3.072 111.534 114.554 0.087 0.000 2.849 177 T HA 0.181 4.533 4.350 0.004 0.000 0.284 177 T C 0.727 175.455 174.700 0.047 0.000 1.004 177 T CA -0.592 61.547 62.100 0.066 0.000 1.021 177 T CB 0.697 69.605 68.868 0.066 0.000 1.013 177 T HN 0.501 nan 8.240 nan 0.000 0.527 178 D N -0.055 120.368 120.400 0.039 0.000 2.104 178 D HA -0.135 4.507 4.640 0.004 0.000 0.194 178 D C 2.205 178.528 176.300 0.038 0.000 0.994 178 D CA 1.260 55.282 54.000 0.037 0.000 0.830 178 D CB -0.781 40.036 40.800 0.028 0.000 0.959 178 D HN 0.737 nan 8.370 nan 0.000 0.452 179 C N 0.976 120.285 119.300 0.016 0.000 2.398 179 C HA -0.201 4.261 4.460 0.004 0.000 0.276 179 C C 2.615 177.629 174.990 0.040 0.000 1.222 179 C CA 1.250 60.268 59.018 -0.000 0.000 1.746 179 C CB -1.031 26.713 27.740 0.006 0.000 2.039 179 C HN 0.331 nan 8.230 nan 0.000 0.470 180 Q N -0.072 119.748 119.800 0.033 0.000 2.020 180 Q HA -0.131 4.212 4.340 0.004 0.000 0.202 180 Q C 2.181 178.029 176.000 -0.254 0.000 0.982 180 Q CA 2.088 57.864 55.803 -0.045 0.000 0.838 180 Q CB -0.276 28.485 28.738 0.037 0.000 0.899 180 Q HN 0.751 nan 8.270 nan 0.000 0.423 181 I N -0.014 120.474 120.570 -0.138 0.000 2.248 181 I HA -0.330 3.842 4.170 0.004 0.000 0.248 181 I C 2.305 178.350 176.117 -0.120 0.000 1.107 181 I CA 1.359 62.567 61.300 -0.153 0.000 1.373 181 I CB -0.365 37.609 38.000 -0.043 0.000 1.055 181 I HN 0.256 nan 8.210 nan 0.000 0.418 182 Y N 1.816 122.024 120.300 -0.153 0.000 2.181 182 Y HA -0.259 4.295 4.550 0.007 0.000 0.288 182 Y C 2.403 178.218 175.900 -0.142 0.000 1.146 182 Y CA 1.733 59.767 58.100 -0.111 0.000 1.164 182 Y CB -0.298 38.129 38.460 -0.056 0.000 0.982 182 Y HN 0.192 nan 8.280 nan 0.000 0.515 183 E N -0.717 119.552 120.200 0.114 0.000 2.077 183 E HA -0.177 4.176 4.350 0.004 0.000 0.193 183 E C 2.245 178.644 176.600 -0.334 0.000 0.989 183 E CA 1.608 58.019 56.400 0.019 0.000 0.800 183 E CB -0.227 29.591 29.700 0.196 0.000 0.746 183 E HN 0.360 nan 8.360 nan 0.000 0.452 184 V N 1.111 120.551 119.914 -0.791 0.000 2.307 184 V HA -0.229 3.893 4.120 0.004 0.000 0.245 184 V C 2.191 178.046 176.094 -0.397 0.000 1.045 184 V CA 1.227 62.990 62.300 -0.894 0.000 1.024 184 V CB -0.326 30.957 31.823 -0.899 0.000 0.651 184 V HN 0.191 nan 8.190 nan 0.000 0.449 185 L N 0.086 121.128 121.223 -0.302 0.000 2.191 185 L HA -0.097 4.245 4.340 0.004 0.000 0.212 185 L C 2.571 179.330 176.870 -0.185 0.000 1.103 185 L CA 1.679 56.395 54.840 -0.207 0.000 0.769 185 L CB -0.967 40.973 42.059 -0.199 0.000 0.908 185 L HN 0.263 nan 8.230 nan 0.000 0.438 186 S N -1.186 114.384 115.700 -0.217 0.000 2.356 186 S HA -0.143 4.330 4.470 0.004 0.000 0.223 186 S C 2.083 176.653 174.600 -0.049 0.000 1.032 186 S CA 1.313 59.427 58.200 -0.142 0.000 1.005 186 S CB -0.307 62.819 63.200 -0.122 0.000 0.867 186 S HN 0.219 nan 8.310 nan 0.000 0.449 187 V N 2.241 122.135 119.914 -0.034 0.000 2.261 187 V HA -0.191 3.932 4.120 0.004 0.000 0.246 187 V C 2.123 178.194 176.094 -0.039 0.000 1.047 187 V CA 1.662 63.964 62.300 0.004 0.000 1.015 187 V CB -0.703 31.164 31.823 0.074 0.000 0.642 187 V HN 0.418 nan 8.190 nan 0.000 0.446 188 I N -0.261 120.258 120.570 -0.085 0.000 2.118 188 I HA -0.337 3.835 4.170 0.004 0.000 0.241 188 I C 2.800 178.932 176.117 0.025 0.000 1.070 188 I CA 2.201 63.478 61.300 -0.038 0.000 1.327 188 I CB -0.465 37.523 38.000 -0.020 0.000 1.034 188 I HN 0.279 nan 8.210 nan 0.000 0.405 189 R N 0.989 121.510 120.500 0.035 0.000 2.080 189 R HA -0.235 4.108 4.340 0.004 0.000 0.236 189 R C 1.827 178.212 176.300 0.142 0.000 1.137 189 R CA 2.418 58.594 56.100 0.127 0.000 0.943 189 R CB -0.397 29.941 30.300 0.062 0.000 0.846 189 R HN 0.288 nan 8.270 nan 0.000 0.431 190 D N 0.320 120.775 120.400 0.092 0.000 2.221 190 D HA -0.136 4.507 4.640 0.004 0.000 0.204 190 D C 1.765 178.143 176.300 0.130 0.000 0.982 190 D CA 1.058 55.134 54.000 0.126 0.000 0.857 190 D CB -0.025 40.826 40.800 0.086 0.000 0.934 190 D HN 0.384 nan 8.370 nan 0.000 0.475 191 I N -0.798 119.773 120.570 0.003 0.000 3.226 191 I HA 0.026 4.198 4.170 0.004 0.000 0.277 191 I C 1.321 177.176 176.117 -0.438 0.000 1.243 191 I CA 0.493 61.753 61.300 -0.067 0.000 1.459 191 I CB 0.227 38.202 38.000 -0.041 0.000 1.093 191 I HN 0.106 nan 8.210 nan 0.000 0.453 192 G N 1.527 109.804 108.800 -0.871 0.000 2.136 192 G HA2 -0.212 3.750 3.960 0.004 0.000 0.242 192 G HA3 -0.212 3.750 3.960 0.004 0.000 0.242 192 G C 0.277 174.645 174.900 -0.886 0.000 0.989 192 G CA 0.175 44.062 45.100 -2.020 0.000 0.682 192 G HN 0.544 nan 8.290 nan 0.000 0.522 193 A N -0.912 121.769 122.820 -0.232 0.000 2.298 193 A HA 0.901 5.223 4.320 0.004 0.000 0.302 193 A C 0.163 177.865 177.584 0.196 0.000 1.177 193 A CA -0.554 51.509 52.037 0.043 0.000 0.912 193 A CB 0.794 19.956 19.000 0.269 0.000 1.331 193 A HN 0.752 nan 8.150 nan 0.000 0.504 194 I N 0.221 120.900 120.570 0.180 0.000 2.354 194 I HA 0.458 4.630 4.170 0.004 0.000 0.292 194 I C 0.453 176.659 176.117 0.148 0.000 0.989 194 I CA -0.142 61.249 61.300 0.152 0.000 1.188 194 I CB 1.851 39.916 38.000 0.109 0.000 1.342 194 I HN 0.594 nan 8.210 nan 0.000 0.457 195 A N 7.118 130.009 122.820 0.118 0.000 2.506 195 A HA 0.414 4.736 4.320 0.004 0.000 0.320 195 A C -0.092 177.558 177.584 0.110 0.000 1.424 195 A CA -0.408 51.683 52.037 0.090 0.000 1.044 195 A CB -0.135 18.884 19.000 0.031 0.000 1.140 195 A HN 0.736 nan 8.150 nan 0.000 0.538 196 Q N 0.514 120.369 119.800 0.092 0.000 2.227 196 Q HA 0.587 4.930 4.340 0.004 0.000 0.245 196 Q C -0.971 175.059 176.000 0.050 0.000 0.926 196 Q CA -0.477 55.395 55.803 0.116 0.000 0.895 196 Q CB 2.352 31.096 28.738 0.010 0.000 1.230 196 Q HN 0.463 nan 8.270 nan 0.000 0.450 197 V N 1.921 121.874 119.914 0.065 0.000 2.612 197 V HA 0.117 4.239 4.120 0.004 0.000 0.301 197 V C -1.205 174.906 176.094 0.030 0.000 1.059 197 V CA -0.617 61.696 62.300 0.022 0.000 0.886 197 V CB 1.706 33.551 31.823 0.037 0.000 1.007 197 V HN 0.772 nan 8.190 nan 0.000 0.426 198 H N 6.190 125.199 119.070 -0.102 0.000 3.004 198 H HA 0.567 5.125 4.556 0.003 0.000 0.267 198 H C -0.108 175.265 175.328 0.075 0.000 1.165 198 H CA 0.445 56.507 56.048 0.023 0.000 1.450 198 H CB 1.176 31.001 29.762 0.106 0.000 1.488 198 H HN 0.745 nan 8.280 nan 0.000 0.478 199 A N 5.996 128.856 122.820 0.068 0.000 2.394 199 A HA 0.422 4.745 4.320 0.004 0.000 0.333 199 A C -0.350 177.271 177.584 0.062 0.000 1.397 199 A CA -0.597 51.490 52.037 0.084 0.000 0.884 199 A CB 0.381 19.396 19.000 0.025 0.000 1.147 199 A HN 0.823 nan 8.150 nan 0.000 0.505 200 E N 1.231 121.508 120.200 0.129 0.000 2.343 200 E HA 0.154 4.506 4.350 0.004 0.000 0.278 200 E C -1.154 175.470 176.600 0.041 0.000 0.910 200 E CA -0.989 55.448 56.400 0.062 0.000 0.757 200 E CB 1.694 31.433 29.700 0.064 0.000 1.218 200 E HN 0.580 nan 8.360 nan 0.000 0.435 201 N N 1.463 120.170 118.700 0.013 0.000 2.406 201 N HA 0.034 4.776 4.740 0.004 0.000 0.265 201 N C 0.619 176.121 175.510 -0.013 0.000 1.203 201 N CA 0.274 53.329 53.050 0.008 0.000 0.945 201 N CB 1.137 39.626 38.487 0.004 0.000 1.165 201 N HN 0.749 nan 8.380 nan 0.000 0.485 202 G N 2.839 111.632 108.800 -0.011 0.000 2.511 202 G HA2 -0.167 3.795 3.960 0.004 0.000 0.217 202 G HA3 -0.167 3.795 3.960 0.004 0.000 0.217 202 G C 1.029 175.919 174.900 -0.017 0.000 1.133 202 G CA 0.160 45.237 45.100 -0.038 0.000 0.792 202 G HN 0.495 nan 8.290 nan 0.000 0.539 203 D N 0.926 121.327 120.400 0.002 0.000 2.097 203 D HA -0.072 4.571 4.640 0.004 0.000 0.195 203 D C 2.573 178.871 176.300 -0.002 0.000 0.989 203 D CA 0.469 54.472 54.000 0.005 0.000 0.827 203 D CB -0.162 40.645 40.800 0.012 0.000 0.966 203 D HN 0.327 nan 8.370 nan 0.000 0.456 204 I N 0.605 121.172 120.570 -0.006 0.000 2.163 204 I HA -0.256 3.916 4.170 0.004 0.000 0.243 204 I C 2.337 178.444 176.117 -0.016 0.000 1.085 204 I CA 0.902 62.196 61.300 -0.010 0.000 1.347 204 I CB -0.303 37.689 38.000 -0.013 0.000 1.044 204 I HN -0.008 nan 8.210 nan 0.000 0.408 205 I N 0.977 121.530 120.570 -0.029 0.000 2.226 205 I HA -0.292 3.880 4.170 0.004 0.000 0.245 205 I C 2.865 178.974 176.117 -0.013 0.000 1.100 205 I CA 1.358 62.635 61.300 -0.037 0.000 1.374 205 I CB -0.552 37.406 38.000 -0.071 0.000 1.057 205 I HN 0.189 nan 8.210 nan 0.000 0.413 206 A N 0.484 123.298 122.820 -0.011 0.000 1.917 206 A HA -0.231 4.091 4.320 0.004 0.000 0.219 206 A C 2.252 179.840 177.584 0.006 0.000 1.182 206 A CA 1.807 53.843 52.037 -0.000 0.000 0.633 206 A CB -0.443 18.557 19.000 -0.001 0.000 0.819 206 A HN 0.408 nan 8.150 nan 0.000 0.448 207 E N -0.383 119.820 120.200 0.005 0.000 2.112 207 E HA -0.106 4.247 4.350 0.004 0.000 0.190 207 E C 1.925 178.534 176.600 0.015 0.000 0.979 207 E CA 0.854 57.258 56.400 0.008 0.000 0.814 207 E CB -0.287 29.416 29.700 0.004 0.000 0.762 207 E HN 0.620 nan 8.360 nan 0.000 0.460 208 E N 1.228 121.437 120.200 0.014 0.000 2.107 208 E HA -0.127 4.225 4.350 0.004 0.000 0.191 208 E C 2.119 178.758 176.600 0.065 0.000 0.982 208 E CA 0.600 57.012 56.400 0.021 0.000 0.809 208 E CB -0.149 29.549 29.700 -0.004 0.000 0.756 208 E HN 0.384 nan 8.360 nan 0.000 0.459 209 Q N 0.389 120.243 119.800 0.090 0.000 2.077 209 Q HA -0.217 4.126 4.340 0.004 0.000 0.206 209 Q C 2.283 178.352 176.000 0.115 0.000 0.989 209 Q CA 1.316 57.231 55.803 0.187 0.000 0.853 209 Q CB -0.096 28.708 28.738 0.110 0.000 0.907 209 Q HN 0.187 nan 8.270 nan 0.000 0.418 210 Q N 0.502 120.330 119.800 0.046 0.000 2.002 210 Q HA -0.169 4.173 4.340 0.004 0.000 0.204 210 Q C 2.058 178.081 176.000 0.037 0.000 0.988 210 Q CA 1.449 57.264 55.803 0.020 0.000 0.843 210 Q CB -0.417 28.326 28.738 0.007 0.000 0.908 210 Q HN 0.305 nan 8.270 nan 0.000 0.420 211 R N 0.114 120.638 120.500 0.040 0.000 2.103 211 R HA -0.135 4.208 4.340 0.004 0.000 0.242 211 R C 2.191 178.525 176.300 0.057 0.000 1.142 211 R CA 1.260 57.383 56.100 0.038 0.000 0.960 211 R CB -0.153 30.164 30.300 0.028 0.000 0.858 211 R HN 0.229 nan 8.270 nan 0.000 0.439 212 I N 0.726 121.351 120.570 0.092 0.000 2.439 212 I HA -0.216 3.956 4.170 0.004 0.000 0.251 212 I C 2.138 178.357 176.117 0.170 0.000 1.139 212 I CA 1.000 62.373 61.300 0.122 0.000 1.438 212 I CB -0.473 37.607 38.000 0.134 0.000 1.085 212 I HN 0.290 nan 8.210 nan 0.000 0.427 213 L N 0.126 121.447 121.223 0.163 0.000 2.131 213 L HA -0.147 4.195 4.340 0.004 0.000 0.206 213 L C 2.146 179.049 176.870 0.054 0.000 1.087 213 L CA 0.911 55.811 54.840 0.101 0.000 0.767 213 L CB -0.469 41.580 42.059 -0.018 0.000 0.917 213 L HN 0.134 nan 8.230 nan 0.000 0.441 214 D N 0.224 120.648 120.400 0.041 0.000 2.123 214 D HA -0.168 4.474 4.640 0.004 0.000 0.196 214 D C 1.904 178.224 176.300 0.033 0.000 0.992 214 D CA 1.134 55.150 54.000 0.027 0.000 0.833 214 D CB -0.169 40.643 40.800 0.020 0.000 0.954 214 D HN 0.082 nan 8.370 nan 0.000 0.455 215 L N 0.078 121.327 121.223 0.043 0.000 2.721 215 L HA 0.060 4.402 4.340 0.004 0.000 0.241 215 L C 1.600 178.500 176.870 0.049 0.000 1.168 215 L CA 0.973 55.839 54.840 0.043 0.000 0.866 215 L CB -1.076 41.010 42.059 0.046 0.000 0.996 215 L HN 0.232 nan 8.230 nan 0.000 0.451 216 G N -0.350 108.482 108.800 0.053 0.000 2.160 216 G HA2 -0.314 3.648 3.960 0.004 0.000 0.251 216 G HA3 -0.314 3.648 3.960 0.004 0.000 0.251 216 G C 0.398 175.343 174.900 0.076 0.000 1.008 216 G CA 0.253 45.385 45.100 0.054 0.000 0.724 216 G HN 0.354 nan 8.290 nan 0.000 0.514 217 I N 1.827 122.460 120.570 0.105 0.000 2.307 217 I HA 0.330 4.502 4.170 0.004 0.000 0.287 217 I C 1.538 177.794 176.117 0.230 0.000 1.054 217 I CA 0.296 61.672 61.300 0.126 0.000 1.218 217 I CB 1.231 39.283 38.000 0.086 0.000 1.398 217 I HN 0.236 nan 8.210 nan 0.000 0.475 218 T N 0.584 115.264 114.554 0.209 0.000 2.971 218 T HA 0.208 4.561 4.350 0.004 0.000 0.252 218 T C 1.030 175.936 174.700 0.344 0.000 1.022 218 T CA -0.090 62.170 62.100 0.266 0.000 0.980 218 T CB 0.229 69.172 68.868 0.125 0.000 1.044 218 T HN 0.498 nan 8.240 nan 0.000 0.501 219 G N 2.370 111.320 108.800 0.251 0.000 2.683 219 G HA2 0.397 4.359 3.960 0.004 0.000 0.260 219 G HA3 0.397 4.359 3.960 0.004 0.000 0.260 219 G C -1.551 173.423 174.900 0.123 0.000 1.238 219 G CA -1.094 44.154 45.100 0.247 0.000 0.934 219 G HN 0.067 nan 8.290 nan 0.000 0.534 220 P HA -0.080 nan 4.420 nan 0.000 0.218 220 P C 1.837 178.900 177.300 -0.394 0.000 1.149 220 P CA 1.296 64.302 63.100 -0.157 0.000 0.817 220 P CB 0.093 31.636 31.700 -0.262 0.000 0.785 221 E N 0.498 120.371 120.200 -0.545 0.000 2.187 221 E HA -0.201 4.151 4.350 0.004 0.000 0.199 221 E C 2.015 178.139 176.600 -0.793 0.000 1.004 221 E CA 2.108 57.931 56.400 -0.962 0.000 0.813 221 E CB -1.789 27.111 29.700 -1.333 0.000 0.736 221 E HN 0.248 nan 8.360 nan 0.000 0.468 222 G N 0.152 108.517 108.800 -0.726 0.000 2.443 222 G HA2 -0.308 3.654 3.960 0.004 0.000 0.219 222 G HA3 -0.308 3.654 3.960 0.004 0.000 0.219 222 G C 1.446 175.403 174.900 -1.571 0.000 1.131 222 G CA 0.943 45.390 45.100 -1.088 0.000 0.775 222 G HN 0.525 nan 8.290 nan 0.000 0.547 223 H N -0.221 118.024 119.070 -1.374 0.000 2.326 223 H HA 0.015 4.575 4.556 0.006 0.000 0.301 223 H C 2.475 177.436 175.328 -0.611 0.000 1.081 223 H CA 1.790 57.353 56.048 -0.808 0.000 1.334 223 H CB -0.205 29.299 29.762 -0.429 0.000 1.385 223 H HN 0.077 nan 8.280 nan 0.000 0.504 224 V N 0.205 119.673 119.914 -0.744 0.000 2.548 224 V HA -0.108 4.014 4.120 0.004 0.000 0.249 224 V C 2.205 178.073 176.094 -0.377 0.000 1.055 224 V CA 1.471 63.408 62.300 -0.605 0.000 1.065 224 V CB -0.460 30.939 31.823 -0.707 0.000 0.681 224 V HN 0.497 nan 8.190 nan 0.000 0.462 225 L N 0.747 121.740 121.223 -0.383 0.000 2.141 225 L HA -0.089 4.253 4.340 0.004 0.000 0.209 225 L C 2.598 179.348 176.870 -0.200 0.000 1.094 225 L CA 1.792 56.504 54.840 -0.214 0.000 0.763 225 L CB -0.551 41.401 42.059 -0.180 0.000 0.908 225 L HN 0.596 nan 8.230 nan 0.000 0.437 226 S N -0.747 114.783 115.700 -0.284 0.000 2.527 226 S HA 0.008 4.481 4.470 0.004 0.000 0.222 226 S C 1.232 175.730 174.600 -0.169 0.000 0.985 226 S CA -0.045 58.051 58.200 -0.173 0.000 0.921 226 S CB 0.006 63.142 63.200 -0.105 0.000 0.772 226 S HN 0.396 nan 8.310 nan 0.000 0.529 227 R N 2.029 122.387 120.500 -0.237 0.000 2.886 227 R HA 0.350 4.692 4.340 0.004 0.000 0.306 227 R C -2.903 173.317 176.300 -0.134 0.000 1.300 227 R CA -1.674 54.308 56.100 -0.196 0.000 1.441 227 R CB 0.668 30.794 30.300 -0.291 0.000 1.328 227 R HN 0.389 nan 8.270 nan 0.000 0.629 228 P HA -0.056 nan 4.420 nan 0.000 0.271 228 P C 0.392 177.672 177.300 -0.034 0.000 1.233 228 P CA 0.012 63.080 63.100 -0.053 0.000 0.789 228 P CB 0.742 32.419 31.700 -0.039 0.000 0.951 229 E N 0.577 120.767 120.200 -0.016 0.000 2.265 229 E HA -0.230 4.122 4.350 0.004 0.000 0.196 229 E C 0.879 177.472 176.600 -0.011 0.000 0.996 229 E CA 1.183 57.579 56.400 -0.006 0.000 0.832 229 E CB -0.434 29.267 29.700 0.003 0.000 0.756 229 E HN 0.324 nan 8.360 nan 0.000 0.491 230 E N 0.961 121.151 120.200 -0.016 0.000 2.153 230 E HA -0.116 4.236 4.350 0.004 0.000 0.194 230 E C 2.059 178.651 176.600 -0.014 0.000 0.988 230 E CA 1.015 57.406 56.400 -0.016 0.000 0.811 230 E CB -0.141 29.548 29.700 -0.018 0.000 0.746 230 E HN 0.137 nan 8.360 nan 0.000 0.466 231 V N 0.900 120.803 119.914 -0.019 0.000 2.667 231 V HA -0.201 3.921 4.120 0.004 0.000 0.252 231 V C 2.264 178.353 176.094 -0.010 0.000 1.065 231 V CA 1.824 64.113 62.300 -0.018 0.000 1.083 231 V CB -0.221 31.582 31.823 -0.032 0.000 0.692 231 V HN 0.326 nan 8.190 nan 0.000 0.468 232 E N 0.399 120.594 120.200 -0.009 0.000 2.042 232 E HA -0.118 4.234 4.350 0.004 0.000 0.189 232 E C 2.289 178.888 176.600 -0.001 0.000 0.974 232 E CA 1.057 57.455 56.400 -0.004 0.000 0.806 232 E CB -0.169 29.527 29.700 -0.006 0.000 0.769 232 E HN 0.475 nan 8.360 nan 0.000 0.451 233 A N 1.952 124.771 122.820 -0.001 0.000 1.948 233 A HA -0.254 4.068 4.320 0.004 0.000 0.220 233 A C 2.151 179.734 177.584 -0.000 0.000 1.177 233 A CA 1.884 53.922 52.037 0.000 0.000 0.636 233 A CB -0.679 18.320 19.000 -0.002 0.000 0.815 233 A HN 0.398 nan 8.150 nan 0.000 0.449 234 E N 0.271 120.471 120.200 -0.001 0.000 2.028 234 E HA -0.138 4.215 4.350 0.004 0.000 0.191 234 E C 2.267 178.871 176.600 0.007 0.000 0.988 234 E CA 1.406 57.807 56.400 0.001 0.000 0.799 234 E CB -0.439 29.261 29.700 -0.000 0.000 0.755 234 E HN 0.456 nan 8.360 nan 0.000 0.447 235 A N 0.879 123.706 122.820 0.012 0.000 1.933 235 A HA -0.130 4.192 4.320 0.004 0.000 0.218 235 A C 2.590 180.184 177.584 0.016 0.000 1.175 235 A CA 1.644 53.695 52.037 0.022 0.000 0.628 235 A CB -0.720 18.303 19.000 0.039 0.000 0.814 235 A HN 0.197 nan 8.150 nan 0.000 0.444 236 V N 1.065 120.983 119.914 0.007 0.000 2.255 236 V HA -0.339 3.783 4.120 0.004 0.000 0.247 236 V C 2.475 178.566 176.094 -0.005 0.000 1.051 236 V CA 2.256 64.555 62.300 -0.002 0.000 1.018 236 V CB -1.107 30.711 31.823 -0.008 0.000 0.641 236 V HN 0.774 nan 8.190 nan 0.000 0.445 237 N N 0.221 118.919 118.700 -0.004 0.000 2.060 237 N HA -0.295 4.447 4.740 0.004 0.000 0.195 237 N C 2.147 177.656 175.510 -0.002 0.000 1.028 237 N CA 2.173 55.220 53.050 -0.005 0.000 0.861 237 N CB -0.086 38.399 38.487 -0.003 0.000 1.029 237 N HN 0.427 nan 8.380 nan 0.000 0.428 238 R N 0.302 120.805 120.500 0.005 0.000 2.115 238 R HA -0.015 4.328 4.340 0.004 0.000 0.230 238 R C 2.157 178.464 176.300 0.012 0.000 1.111 238 R CA 1.264 57.371 56.100 0.011 0.000 0.976 238 R CB -0.169 30.142 30.300 0.018 0.000 0.870 238 R HN 0.260 nan 8.270 nan 0.000 0.445 239 A N 0.608 123.433 122.820 0.008 0.000 1.929 239 A HA -0.057 4.266 4.320 0.004 0.000 0.216 239 A C 2.069 179.648 177.584 -0.009 0.000 1.176 239 A CA 1.019 53.059 52.037 0.005 0.000 0.628 239 A CB -0.344 18.661 19.000 0.009 0.000 0.816 239 A HN 0.326 nan 8.150 nan 0.000 0.444 240 I N -0.172 120.388 120.570 -0.016 0.000 2.226 240 I HA -0.225 3.948 4.170 0.004 0.000 0.245 240 I C 2.554 178.656 176.117 -0.026 0.000 1.100 240 I CA 1.688 62.969 61.300 -0.031 0.000 1.374 240 I CB -0.538 37.440 38.000 -0.038 0.000 1.057 240 I HN 0.257 nan 8.210 nan 0.000 0.413 241 T N 1.199 115.746 114.554 -0.011 0.000 2.684 241 T HA -0.175 4.177 4.350 0.004 0.000 0.267 241 T C 1.888 176.594 174.700 0.011 0.000 1.036 241 T CA 1.600 63.700 62.100 0.000 0.000 1.148 241 T CB -0.332 68.542 68.868 0.010 0.000 0.863 241 T HN 0.249 nan 8.240 nan 0.000 0.436 242 I N 1.353 121.933 120.570 0.018 0.000 2.202 242 I HA -0.138 4.035 4.170 0.004 0.000 0.242 242 I C 2.968 179.064 176.117 -0.035 0.000 1.091 242 I CA 1.042 62.361 61.300 0.032 0.000 1.368 242 I CB -0.557 37.468 38.000 0.042 0.000 1.058 242 I HN 0.183 nan 8.210 nan 0.000 0.410 243 A N 0.973 123.764 122.820 -0.049 0.000 1.917 243 A HA -0.256 4.067 4.320 0.004 0.000 0.219 243 A C 2.102 179.638 177.584 -0.081 0.000 1.182 243 A CA 2.174 54.165 52.037 -0.075 0.000 0.633 243 A CB -0.719 18.244 19.000 -0.062 0.000 0.819 243 A HN 0.430 nan 8.150 nan 0.000 0.448 244 N N -0.647 118.018 118.700 -0.059 0.000 2.171 244 N HA -0.100 4.643 4.740 0.004 0.000 0.184 244 N C 1.807 177.291 175.510 -0.044 0.000 1.021 244 N CA 1.220 54.237 53.050 -0.054 0.000 0.854 244 N CB -0.282 38.180 38.487 -0.042 0.000 0.994 244 N HN 0.434 nan 8.380 nan 0.000 0.426 245 Q N -0.136 119.650 119.800 -0.024 0.000 2.230 245 Q HA 0.067 4.409 4.340 0.004 0.000 0.202 245 Q C 1.386 177.352 176.000 -0.057 0.000 0.963 245 Q CA 0.866 56.672 55.803 0.004 0.000 0.866 245 Q CB -0.527 28.263 28.738 0.086 0.000 0.931 245 Q HN 0.286 nan 8.270 nan 0.000 0.452 246 T N 1.013 115.470 114.554 -0.162 0.000 3.100 246 T HA -0.029 4.323 4.350 0.004 0.000 0.253 246 T C 0.513 175.121 174.700 -0.153 0.000 1.118 246 T CA 0.308 62.245 62.100 -0.271 0.000 1.058 246 T CB -0.212 68.416 68.868 -0.400 0.000 0.953 246 T HN 0.364 nan 8.240 nan 0.000 0.515 247 N N 0.830 119.467 118.700 -0.104 0.000 2.716 247 N HA -0.179 4.564 4.740 0.004 0.000 0.250 247 N C -0.694 174.757 175.510 -0.099 0.000 1.033 247 N CA 0.319 53.317 53.050 -0.086 0.000 0.727 247 N CB -1.883 36.571 38.487 -0.054 0.000 0.950 247 N HN 0.462 nan 8.380 nan 0.000 0.541 248 C N 1.426 120.658 119.300 -0.114 0.000 2.351 248 C HA 0.656 5.118 4.460 0.004 0.000 0.326 248 C C -2.184 172.737 174.990 -0.115 0.000 1.272 248 C CA -1.807 57.146 59.018 -0.107 0.000 1.650 248 C CB 0.742 28.423 27.740 -0.098 0.000 2.257 248 C HN 0.441 nan 8.230 nan 0.000 0.505 249 P HA 0.267 nan 4.420 nan 0.000 0.271 249 P C -1.023 176.282 177.300 0.008 0.000 1.216 249 P CA -0.028 63.007 63.100 -0.108 0.000 0.771 249 P CB 0.855 32.440 31.700 -0.191 0.000 0.864 250 L N 4.714 125.961 121.223 0.040 0.000 2.354 250 L HA 0.620 4.962 4.340 0.004 0.000 0.269 250 L C -1.521 175.472 176.870 0.205 0.000 1.005 250 L CA -1.042 53.847 54.840 0.083 0.000 0.819 250 L CB 1.802 43.864 42.059 0.005 0.000 1.311 250 L HN 0.306 nan 8.230 nan 0.000 0.423 251 Y N 5.498 125.838 120.300 0.066 0.000 2.315 251 Y HA 0.545 5.097 4.550 0.003 0.000 0.324 251 Y C -1.242 174.694 175.900 0.061 0.000 1.062 251 Y CA -1.041 57.123 58.100 0.108 0.000 1.159 251 Y CB 0.982 39.518 38.460 0.126 0.000 1.145 251 Y HN 0.413 nan 8.280 nan 0.000 0.442 252 I N 6.444 126.960 120.570 -0.090 0.000 2.308 252 I HA 0.143 4.316 4.170 0.004 0.000 0.293 252 I C 0.656 176.709 176.117 -0.107 0.000 1.078 252 I CA -0.184 61.080 61.300 -0.059 0.000 1.292 252 I CB 0.426 38.383 38.000 -0.072 0.000 1.423 252 I HN 0.688 nan 8.210 nan 0.000 0.493 253 T N 3.099 117.694 114.554 0.069 0.000 2.899 253 T HA 0.278 4.630 4.350 0.004 0.000 0.295 253 T C 0.383 175.134 174.700 0.085 0.000 1.033 253 T CA -0.678 61.527 62.100 0.174 0.000 1.084 253 T CB 0.726 69.744 68.868 0.250 0.000 0.979 253 T HN 0.585 nan 8.240 nan 0.000 0.532 254 K N 0.253 120.733 120.400 0.133 0.000 3.619 254 K HA -0.093 4.229 4.320 0.004 0.000 0.275 254 K C -0.642 175.969 176.600 0.019 0.000 0.993 254 K CA -0.005 56.315 56.287 0.056 0.000 0.787 254 K CB -1.863 30.647 32.500 0.016 0.000 1.431 254 K HN 0.544 nan 8.250 nan 0.000 0.451 255 V N 3.199 123.130 119.914 0.027 0.000 2.405 255 V HA 0.044 4.166 4.120 0.004 0.000 0.264 255 V C 1.266 177.396 176.094 0.060 0.000 1.048 255 V CA 0.068 62.384 62.300 0.027 0.000 0.966 255 V CB 1.085 32.917 31.823 0.015 0.000 1.015 255 V HN 0.434 nan 8.190 nan 0.000 0.477 256 M N 2.905 122.544 119.600 0.064 0.000 2.379 256 M HA 0.205 4.687 4.480 0.004 0.000 0.265 256 M C 0.665 177.027 176.300 0.103 0.000 1.095 256 M CA 0.370 55.725 55.300 0.092 0.000 1.075 256 M CB 0.401 33.054 32.600 0.090 0.000 1.443 256 M HN 0.733 nan 8.290 nan 0.000 0.519 257 S N -0.932 114.822 115.700 0.090 0.000 2.595 257 S HA 0.517 4.990 4.470 0.004 0.000 0.281 257 S C 0.481 175.142 174.600 0.102 0.000 1.117 257 S CA -0.799 57.449 58.200 0.081 0.000 0.873 257 S CB 2.701 65.928 63.200 0.047 0.000 1.108 257 S HN 0.076 nan 8.310 nan 0.000 0.477 258 K N 1.202 121.635 120.400 0.054 0.000 2.063 258 K HA -0.080 4.243 4.320 0.004 0.000 0.208 258 K C 2.175 178.788 176.600 0.022 0.000 1.048 258 K CA 2.013 58.289 56.287 -0.019 0.000 0.928 258 K CB -0.435 31.807 32.500 -0.430 0.000 0.713 258 K HN 0.577 nan 8.250 nan 0.000 0.442 259 S N 0.690 116.379 115.700 -0.019 0.000 2.356 259 S HA -0.157 4.315 4.470 0.004 0.000 0.223 259 S C 2.157 176.776 174.600 0.030 0.000 1.032 259 S CA 1.686 59.883 58.200 -0.005 0.000 1.005 259 S CB -0.316 62.874 63.200 -0.018 0.000 0.867 259 S HN 0.457 nan 8.310 nan 0.000 0.449 260 S N 2.615 118.336 115.700 0.036 0.000 2.368 260 S HA 0.010 4.483 4.470 0.004 0.000 0.224 260 S C 2.124 176.751 174.600 0.046 0.000 1.029 260 S CA 0.875 59.093 58.200 0.030 0.000 0.988 260 S CB -0.774 62.438 63.200 0.021 0.000 0.838 260 S HN 0.518 nan 8.310 nan 0.000 0.462 261 A N 1.951 124.826 122.820 0.092 0.000 1.908 261 A HA -0.146 4.176 4.320 0.004 0.000 0.218 261 A C 2.190 179.847 177.584 0.121 0.000 1.181 261 A CA 1.973 54.079 52.037 0.114 0.000 0.627 261 A CB -0.917 18.209 19.000 0.210 0.000 0.818 261 A HN 0.586 nan 8.150 nan 0.000 0.445 262 E N -0.431 119.872 120.200 0.173 0.000 2.152 262 E HA -0.062 4.290 4.350 0.004 0.000 0.192 262 E C 1.743 178.376 176.600 0.056 0.000 0.983 262 E CA 1.090 57.575 56.400 0.143 0.000 0.818 262 E CB -0.242 29.552 29.700 0.156 0.000 0.758 262 E HN 0.247 nan 8.360 nan 0.000 0.467 263 V N 0.567 120.502 119.914 0.034 0.000 2.295 263 V HA -0.258 3.864 4.120 0.004 0.000 0.246 263 V C 2.253 178.339 176.094 -0.013 0.000 1.049 263 V CA 1.845 64.148 62.300 0.006 0.000 1.024 263 V CB -0.418 31.406 31.823 0.001 0.000 0.648 263 V HN 0.320 nan 8.190 nan 0.000 0.447 264 I N 0.505 121.064 120.570 -0.018 0.000 2.118 264 I HA -0.303 3.869 4.170 0.004 0.000 0.241 264 I C 2.713 178.795 176.117 -0.058 0.000 1.070 264 I CA 1.749 63.019 61.300 -0.050 0.000 1.327 264 I CB -0.769 37.197 38.000 -0.056 0.000 1.034 264 I HN 0.289 nan 8.210 nan 0.000 0.405 265 A N 0.200 122.998 122.820 -0.036 0.000 1.884 265 A HA -0.290 4.032 4.320 0.004 0.000 0.219 265 A C 2.276 179.836 177.584 -0.040 0.000 1.197 265 A CA 1.809 53.822 52.037 -0.041 0.000 0.637 265 A CB -0.686 18.304 19.000 -0.016 0.000 0.827 265 A HN 0.445 nan 8.150 nan 0.000 0.450 266 Q N -0.733 119.053 119.800 -0.022 0.000 2.170 266 Q HA -0.105 4.238 4.340 0.004 0.000 0.203 266 Q C 2.374 178.349 176.000 -0.042 0.000 0.976 266 Q CA 1.529 57.317 55.803 -0.025 0.000 0.858 266 Q CB -0.753 27.978 28.738 -0.012 0.000 0.907 266 Q HN 0.700 nan 8.270 nan 0.000 0.433 267 A N 1.045 123.833 122.820 -0.053 0.000 1.898 267 A HA -0.166 4.157 4.320 0.004 0.000 0.216 267 A C 2.149 179.678 177.584 -0.092 0.000 1.181 267 A CA 1.114 53.109 52.037 -0.069 0.000 0.620 267 A CB -0.347 18.607 19.000 -0.076 0.000 0.819 267 A HN 0.257 nan 8.150 nan 0.000 0.442 268 R N -0.043 120.393 120.500 -0.107 0.000 2.096 268 R HA -0.078 4.264 4.340 0.004 0.000 0.235 268 R C 1.961 178.200 176.300 -0.100 0.000 1.127 268 R CA 1.408 57.430 56.100 -0.129 0.000 0.968 268 R CB -0.269 29.947 30.300 -0.141 0.000 0.861 268 R HN 0.465 nan 8.270 nan 0.000 0.440 269 K N 0.727 121.083 120.400 -0.074 0.000 2.280 269 K HA -0.115 4.208 4.320 0.004 0.000 0.202 269 K C 1.448 178.014 176.600 -0.056 0.000 1.047 269 K CA 1.003 57.255 56.287 -0.059 0.000 0.942 269 K CB 0.051 32.525 32.500 -0.043 0.000 0.739 269 K HN 0.169 nan 8.250 nan 0.000 0.457 270 K N -0.597 119.767 120.400 -0.060 0.000 2.374 270 K HA 0.055 4.378 4.320 0.004 0.000 0.196 270 K C 0.806 177.369 176.600 -0.063 0.000 1.023 270 K CA 0.448 56.703 56.287 -0.053 0.000 1.103 270 K CB 0.992 33.464 32.500 -0.046 0.000 0.848 270 K HN 0.336 nan 8.250 nan 0.000 0.528 271 G N 0.944 109.696 108.800 -0.080 0.000 2.231 271 G HA2 -0.209 3.753 3.960 0.004 0.000 0.206 271 G HA3 -0.209 3.753 3.960 0.004 0.000 0.206 271 G C 0.251 175.081 174.900 -0.117 0.000 0.996 271 G CA -0.313 44.732 45.100 -0.091 0.000 0.645 271 G HN 0.245 nan 8.290 nan 0.000 0.498 272 T N 1.846 116.326 114.554 -0.123 0.000 2.853 272 T HA 0.399 4.751 4.350 0.004 0.000 0.298 272 T C 0.717 175.290 174.700 -0.211 0.000 0.978 272 T CA 0.118 62.132 62.100 -0.144 0.000 1.152 272 T CB 2.038 70.833 68.868 -0.123 0.000 0.914 272 T HN 0.445 nan 8.240 nan 0.000 0.539 273 V N 5.583 125.366 119.914 -0.218 0.000 2.326 273 V HA 0.325 4.448 4.120 0.004 0.000 0.249 273 V C 0.194 176.091 176.094 -0.328 0.000 1.114 273 V CA -0.057 62.066 62.300 -0.295 0.000 1.028 273 V CB 0.102 31.794 31.823 -0.218 0.000 1.170 273 V HN 0.664 nan 8.190 nan 0.000 0.494 274 V N 6.572 126.165 119.914 -0.536 0.000 2.851 274 V HA 0.619 4.742 4.120 0.004 0.000 0.307 274 V C -1.774 173.901 176.094 -0.698 0.000 1.129 274 V CA -0.522 61.529 62.300 -0.415 0.000 0.932 274 V CB 2.446 34.130 31.823 -0.232 0.000 1.024 274 V HN 0.647 nan 8.190 nan 0.000 0.426 275 Y N 3.602 123.846 120.300 -0.093 0.000 2.429 275 Y HA 0.806 5.358 4.550 0.004 0.000 0.342 275 Y C 0.762 176.484 175.900 -0.296 0.000 1.004 275 Y CA -0.283 57.725 58.100 -0.153 0.000 1.075 275 Y CB 2.436 40.849 38.460 -0.078 0.000 1.214 275 Y HN 0.793 nan 8.280 nan 0.000 0.455 276 G N 1.228 109.956 108.800 -0.121 0.000 2.379 276 G HA2 0.433 4.395 3.960 0.004 0.000 0.327 276 G HA3 0.433 4.395 3.960 0.004 0.000 0.327 276 G C -1.145 173.634 174.900 -0.201 0.000 1.145 276 G CA -0.654 44.342 45.100 -0.174 0.000 0.905 276 G HN 0.622 nan 8.290 nan 0.000 0.466 277 E N 3.862 123.922 120.200 -0.235 0.000 2.546 277 E HA 0.256 4.608 4.350 0.004 0.000 0.227 277 E C -2.372 174.239 176.600 0.018 0.000 1.009 277 E CA -2.048 54.299 56.400 -0.089 0.000 0.813 277 E CB 1.657 31.325 29.700 -0.053 0.000 1.269 277 E HN 0.277 nan 8.360 nan 0.000 0.432 278 P HA 0.067 nan 4.420 nan 0.000 0.269 278 P C 0.138 177.492 177.300 0.090 0.000 1.215 278 P CA 0.070 63.207 63.100 0.062 0.000 0.780 278 P CB 0.900 32.635 31.700 0.058 0.000 0.898 279 I N -2.195 118.436 120.570 0.101 0.000 2.910 279 I HA 0.366 4.538 4.170 0.004 0.000 0.310 279 I C 1.146 177.351 176.117 0.147 0.000 1.043 279 I CA -0.859 60.508 61.300 0.112 0.000 1.053 279 I CB 1.174 39.217 38.000 0.073 0.000 1.242 279 I HN 0.099 nan 8.210 nan 0.000 0.452 280 T N 2.396 117.051 114.554 0.169 0.000 2.685 280 T HA -0.259 4.093 4.350 0.004 0.000 0.268 280 T C 1.929 176.867 174.700 0.397 0.000 1.034 280 T CA 2.338 64.566 62.100 0.214 0.000 1.149 280 T CB -0.489 68.508 68.868 0.216 0.000 0.860 280 T HN 0.793 nan 8.240 nan 0.000 0.449 281 A N 2.024 125.079 122.820 0.392 0.000 1.884 281 A HA -0.201 4.121 4.320 0.004 0.000 0.219 281 A C 2.617 180.372 177.584 0.285 0.000 1.197 281 A CA 2.811 55.031 52.037 0.304 0.000 0.637 281 A CB -1.100 17.964 19.000 0.106 0.000 0.827 281 A HN 0.671 nan 8.150 nan 0.000 0.450 282 S N -0.543 115.285 115.700 0.214 0.000 2.428 282 S HA 0.070 4.542 4.470 0.004 0.000 0.230 282 S C 1.736 176.448 174.600 0.187 0.000 1.014 282 S CA 1.204 59.516 58.200 0.187 0.000 0.957 282 S CB -0.488 62.801 63.200 0.148 0.000 0.784 282 S HN 0.434 nan 8.310 nan 0.000 0.499 283 L N 0.625 121.959 121.223 0.185 0.000 2.270 283 L HA 0.251 4.593 4.340 0.004 0.000 0.210 283 L C 2.578 179.548 176.870 0.168 0.000 1.104 283 L CA 0.973 55.904 54.840 0.152 0.000 0.804 283 L CB -0.472 41.658 42.059 0.119 0.000 0.937 283 L HN 0.545 nan 8.230 nan 0.000 0.450 284 G N -2.011 106.937 108.800 0.248 0.000 2.784 284 G HA2 0.111 4.073 3.960 0.004 0.000 0.208 284 G HA3 0.111 4.073 3.960 0.004 0.000 0.208 284 G C 0.534 175.657 174.900 0.371 0.000 1.120 284 G CA 0.567 45.829 45.100 0.271 0.000 0.774 284 G HN 0.207 nan 8.290 nan 0.000 0.528 285 T N -0.458 114.327 114.554 0.385 0.000 2.618 285 T HA 0.527 4.879 4.350 0.004 0.000 0.293 285 T C -1.933 172.935 174.700 0.280 0.000 1.093 285 T CA 0.203 62.509 62.100 0.344 0.000 1.061 285 T CB 1.833 70.917 68.868 0.359 0.000 1.498 285 T HN 0.255 nan 8.240 nan 0.000 0.494 286 D N -1.698 118.876 120.400 0.291 0.000 2.752 286 D HA 0.497 5.139 4.640 0.004 0.000 0.313 286 D C 0.561 176.974 176.300 0.188 0.000 1.225 286 D CA -0.209 53.919 54.000 0.213 0.000 0.976 286 D CB 0.438 41.320 40.800 0.136 0.000 1.443 286 D HN 0.741 nan 8.370 nan 0.000 0.515 287 G N -1.245 107.657 108.800 0.171 0.000 3.284 287 G HA2 0.114 4.077 3.960 0.004 0.000 0.236 287 G HA3 0.114 4.077 3.960 0.004 0.000 0.236 287 G C 1.002 176.028 174.900 0.211 0.000 1.158 287 G CA 0.428 45.654 45.100 0.209 0.000 0.774 287 G HN 0.505 nan 8.290 nan 0.000 0.545 288 S N 0.124 115.820 115.700 -0.006 0.000 2.419 288 S HA -0.170 4.302 4.470 0.004 0.000 0.233 288 S C 1.777 176.284 174.600 -0.155 0.000 1.016 288 S CA 0.861 59.011 58.200 -0.084 0.000 0.974 288 S CB -0.557 62.455 63.200 -0.315 0.000 0.786 288 S HN 0.504 nan 8.310 nan 0.000 0.492 289 H N -0.411 118.458 119.070 -0.336 0.000 2.555 289 H HA 0.106 4.665 4.556 0.004 0.000 0.269 289 H C 1.030 175.968 175.328 -0.649 0.000 0.988 289 H CA 0.790 56.443 56.048 -0.659 0.000 1.178 289 H CB -0.322 28.527 29.762 -1.522 0.000 1.373 289 H HN 0.524 nan 8.280 nan 0.000 0.588 290 Y N -0.915 119.224 120.300 -0.268 0.000 2.403 290 Y HA -0.173 4.380 4.550 0.006 0.000 0.291 290 Y C 1.839 177.497 175.900 -0.404 0.000 1.143 290 Y CA 0.542 58.418 58.100 -0.375 0.000 1.257 290 Y CB -0.093 38.046 38.460 -0.535 0.000 0.984 290 Y HN 0.296 nan 8.280 nan 0.000 0.550 291 W N -0.245 121.022 121.300 -0.056 0.000 3.325 291 W HA 0.252 4.913 4.660 0.003 0.000 0.370 291 W C 0.784 177.263 176.519 -0.068 0.000 1.169 291 W CA -0.149 57.164 57.345 -0.052 0.000 1.874 291 W CB -0.028 29.399 29.460 -0.057 0.000 1.076 291 W HN -0.187 nan 8.180 nan 0.000 0.684 292 S N 1.297 117.025 115.700 0.047 0.000 2.560 292 S HA 0.006 4.478 4.470 0.004 0.000 0.284 292 S C 1.539 176.165 174.600 0.042 0.000 1.327 292 S CA 0.142 58.357 58.200 0.025 0.000 1.055 292 S CB 0.993 64.172 63.200 -0.036 0.000 0.868 292 S HN 0.055 nan 8.310 nan 0.000 0.506 293 K N 2.490 122.931 120.400 0.068 0.000 2.211 293 K HA -0.040 4.282 4.320 0.004 0.000 0.203 293 K C 0.582 177.241 176.600 0.099 0.000 1.050 293 K CA 0.414 56.752 56.287 0.086 0.000 0.945 293 K CB -0.601 31.947 32.500 0.079 0.000 0.732 293 K HN 0.539 nan 8.250 nan 0.000 0.451 294 N N 0.770 119.516 118.700 0.077 0.000 2.405 294 N HA -0.082 4.660 4.740 0.004 0.000 0.260 294 N C 0.455 175.997 175.510 0.054 0.000 1.152 294 N CA -0.072 53.033 53.050 0.092 0.000 0.948 294 N CB 0.192 38.731 38.487 0.087 0.000 1.111 294 N HN 0.140 nan 8.380 nan 0.000 0.485 295 W N 4.824 126.109 121.300 -0.025 0.000 2.379 295 W HA -0.020 4.641 4.660 0.003 0.000 0.307 295 W C 1.835 178.298 176.519 -0.094 0.000 1.200 295 W CA 1.795 59.117 57.345 -0.039 0.000 1.297 295 W CB -0.265 29.187 29.460 -0.013 0.000 1.140 295 W HN 0.682 nan 8.180 nan 0.000 0.507 296 A N 0.572 123.508 122.820 0.194 0.000 1.978 296 A HA -0.272 4.050 4.320 0.004 0.000 0.220 296 A C 1.978 179.133 177.584 -0.716 0.000 1.170 296 A CA 2.216 54.184 52.037 -0.114 0.000 0.636 296 A CB -0.951 18.104 19.000 0.090 0.000 0.810 296 A HN 0.462 nan 8.150 nan 0.000 0.448 297 K N -0.418 119.555 120.400 -0.711 0.000 2.031 297 K HA 0.038 4.360 4.320 0.004 0.000 0.205 297 K C 2.176 178.599 176.600 -0.295 0.000 1.049 297 K CA 1.185 57.099 56.287 -0.621 0.000 0.939 297 K CB -0.410 31.938 32.500 -0.255 0.000 0.717 297 K HN 0.283 nan 8.250 nan 0.000 0.438 298 A N 1.299 123.912 122.820 -0.345 0.000 1.908 298 A HA -0.147 4.175 4.320 0.004 0.000 0.218 298 A C 2.390 179.764 177.584 -0.349 0.000 1.181 298 A CA 2.067 53.898 52.037 -0.343 0.000 0.627 298 A CB -1.066 17.716 19.000 -0.363 0.000 0.818 298 A HN 0.528 nan 8.150 nan 0.000 0.445 299 A N -0.439 121.967 122.820 -0.689 0.000 2.070 299 A HA 0.180 4.503 4.320 0.004 0.000 0.220 299 A C 2.327 179.734 177.584 -0.294 0.000 1.159 299 A CA 1.833 53.489 52.037 -0.635 0.000 0.656 299 A CB -0.773 17.549 19.000 -1.128 0.000 0.800 299 A HN 1.110 nan 8.150 nan 0.000 0.453 300 A N -1.711 120.963 122.820 -0.243 0.000 2.119 300 A HA 0.168 4.490 4.320 0.004 0.000 0.217 300 A C 1.592 179.013 177.584 -0.272 0.000 1.153 300 A CA 0.957 52.870 52.037 -0.207 0.000 0.692 300 A CB -0.555 18.302 19.000 -0.237 0.000 0.799 300 A HN 0.459 nan 8.150 nan 0.000 0.458 301 F N -0.621 119.145 119.950 -0.307 0.000 2.754 301 F HA 0.139 4.668 4.527 0.003 0.000 0.297 301 F C 0.824 176.585 175.800 -0.064 0.000 1.122 301 F CA -0.132 57.663 58.000 -0.343 0.000 1.400 301 F CB 0.062 38.594 39.000 -0.780 0.000 1.117 301 F HN -0.166 nan 8.300 nan 0.000 0.587 302 V N 1.234 121.228 119.914 0.133 0.000 2.409 302 V HA 0.172 4.294 4.120 0.004 0.000 0.270 302 V C 0.426 176.483 176.094 -0.062 0.000 1.019 302 V CA 0.497 62.781 62.300 -0.026 0.000 1.066 302 V CB -0.135 31.521 31.823 -0.279 0.000 1.021 302 V HN 0.221 nan 8.190 nan 0.000 0.476 303 T N 3.658 118.249 114.554 0.062 0.000 2.792 303 T HA 0.548 4.901 4.350 0.004 0.000 0.303 303 T C -0.974 173.943 174.700 0.362 0.000 1.310 303 T CA -0.371 61.833 62.100 0.172 0.000 1.007 303 T CB 2.067 71.023 68.868 0.146 0.000 1.335 303 T HN 0.497 nan 8.240 nan 0.000 0.504 304 S N 3.185 119.111 115.700 0.377 0.000 2.733 304 S HA 0.621 5.093 4.470 0.004 0.000 0.294 304 S C -2.791 172.044 174.600 0.392 0.000 1.149 304 S CA -0.867 57.582 58.200 0.416 0.000 1.034 304 S CB 1.788 65.267 63.200 0.465 0.000 1.015 304 S HN 0.548 nan 8.310 nan 0.000 0.486 305 P HA 0.310 nan 4.420 nan 0.000 0.272 305 P C -2.587 174.818 177.300 0.176 0.000 1.223 305 P CA -1.385 61.790 63.100 0.124 0.000 0.784 305 P CB -0.214 31.502 31.700 0.026 0.000 0.923 306 P HA 0.086 nan 4.420 nan 0.000 0.274 306 P C -0.310 177.158 177.300 0.280 0.000 1.246 306 P CA -0.184 63.079 63.100 0.271 0.000 0.795 306 P CB 0.420 32.185 31.700 0.109 0.000 1.006 307 L N 0.905 122.384 121.223 0.428 0.000 2.513 307 L HA 0.037 4.379 4.340 0.004 0.000 0.272 307 L C 1.300 178.377 176.870 0.345 0.000 1.187 307 L CA 0.728 55.778 54.840 0.350 0.000 0.895 307 L CB -0.435 41.825 42.059 0.335 0.000 1.147 307 L HN 0.490 nan 8.230 nan 0.000 0.483 308 S N 5.609 121.444 115.700 0.224 0.000 2.549 308 S HA 0.169 4.641 4.470 0.004 0.000 0.283 308 S C -1.373 173.347 174.600 0.199 0.000 1.320 308 S CA -0.961 57.345 58.200 0.175 0.000 1.058 308 S CB 0.832 64.101 63.200 0.115 0.000 0.882 308 S HN 0.426 nan 8.310 nan 0.000 0.498 309 P HA 0.007 nan 4.420 nan 0.000 0.226 309 P C -0.181 177.162 177.300 0.073 0.000 1.153 309 P CA 0.462 63.677 63.100 0.191 0.000 0.777 309 P CB -0.028 31.814 31.700 0.235 0.000 0.794 310 D N 0.737 121.169 120.400 0.054 0.000 2.338 310 D HA 0.020 4.662 4.640 0.004 0.000 0.255 310 D C -1.468 174.850 176.300 0.031 0.000 1.237 310 D CA -2.224 51.784 54.000 0.013 0.000 0.883 310 D CB 0.648 41.445 40.800 -0.005 0.000 1.087 310 D HN 0.087 nan 8.370 nan 0.000 0.485 311 P HA -0.050 nan 4.420 nan 0.000 0.242 311 P C 0.960 178.289 177.300 0.048 0.000 1.197 311 P CA 0.672 63.793 63.100 0.036 0.000 0.765 311 P CB -0.135 31.571 31.700 0.009 0.000 0.936 312 T N -5.152 109.422 114.554 0.034 0.000 3.129 312 T HA 0.034 4.386 4.350 0.004 0.000 0.251 312 T C 1.397 176.149 174.700 0.086 0.000 1.117 312 T CA 0.651 62.780 62.100 0.047 0.000 1.034 312 T CB -1.187 67.689 68.868 0.012 0.000 0.968 312 T HN -0.035 nan 8.240 nan 0.000 0.526 313 T N 3.137 117.745 114.554 0.089 0.000 2.701 313 T HA -0.003 4.349 4.350 0.004 0.000 0.263 313 T C -0.517 174.297 174.700 0.190 0.000 1.040 313 T CA 1.334 63.515 62.100 0.135 0.000 1.147 313 T CB -1.296 67.640 68.868 0.114 0.000 0.865 313 T HN 0.403 nan 8.240 nan 0.000 0.426 314 P HA -0.166 nan 4.420 nan 0.000 0.216 314 P C 1.343 178.726 177.300 0.138 0.000 1.153 314 P CA 1.288 64.481 63.100 0.154 0.000 0.858 314 P CB -0.196 31.595 31.700 0.151 0.000 0.789 315 D N -1.108 119.374 120.400 0.137 0.000 2.104 315 D HA -0.200 4.443 4.640 0.004 0.000 0.194 315 D C 1.857 178.241 176.300 0.140 0.000 0.994 315 D CA 0.952 55.022 54.000 0.117 0.000 0.830 315 D CB -0.507 40.358 40.800 0.108 0.000 0.959 315 D HN 0.006 nan 8.370 nan 0.000 0.452 316 F N 1.404 121.371 119.950 0.028 0.000 2.095 316 F HA -0.121 4.408 4.527 0.004 0.000 0.298 316 F C 2.371 178.185 175.800 0.024 0.000 1.104 316 F CA 1.233 59.246 58.000 0.022 0.000 1.232 316 F CB -0.374 38.639 39.000 0.021 0.000 0.987 316 F HN -0.054 nan 8.300 nan 0.000 0.475 317 L N -0.183 121.116 121.223 0.127 0.000 2.141 317 L HA -0.205 4.138 4.340 0.004 0.000 0.209 317 L C 2.149 178.998 176.870 -0.035 0.000 1.094 317 L CA 0.982 55.835 54.840 0.022 0.000 0.763 317 L CB -0.811 41.315 42.059 0.112 0.000 0.908 317 L HN 0.199 nan 8.230 nan 0.000 0.437 318 N N -0.419 118.281 118.700 0.000 0.000 2.270 318 N HA -0.112 4.631 4.740 0.004 0.000 0.181 318 N C 1.998 177.470 175.510 -0.064 0.000 1.016 318 N CA 1.212 54.254 53.050 -0.013 0.000 0.870 318 N CB 0.041 38.539 38.487 0.017 0.000 0.979 318 N HN 0.203 nan 8.380 nan 0.000 0.431 319 S N 1.123 116.759 115.700 -0.106 0.000 2.368 319 S HA -0.031 4.442 4.470 0.004 0.000 0.225 319 S C 1.907 176.378 174.600 -0.213 0.000 1.030 319 S CA 0.705 58.813 58.200 -0.153 0.000 0.999 319 S CB -0.039 63.064 63.200 -0.163 0.000 0.844 319 S HN 0.127 nan 8.310 nan 0.000 0.459 320 L N 0.663 121.695 121.223 -0.317 0.000 2.240 320 L HA 0.142 4.484 4.340 0.004 0.000 0.211 320 L C 1.915 178.699 176.870 -0.144 0.000 1.106 320 L CA 0.751 55.425 54.840 -0.277 0.000 0.793 320 L CB -0.599 41.225 42.059 -0.391 0.000 0.927 320 L HN 0.237 nan 8.230 nan 0.000 0.446 321 L N -1.168 119.995 121.223 -0.101 0.000 2.093 321 L HA -0.143 4.199 4.340 0.004 0.000 0.208 321 L C 2.468 179.314 176.870 -0.040 0.000 1.085 321 L CA 1.600 56.412 54.840 -0.047 0.000 0.755 321 L CB -0.632 41.417 42.059 -0.016 0.000 0.904 321 L HN 0.199 nan 8.230 nan 0.000 0.435 322 S N -1.482 114.186 115.700 -0.054 0.000 2.406 322 S HA -0.154 4.318 4.470 0.004 0.000 0.228 322 S C 1.827 176.399 174.600 -0.047 0.000 1.020 322 S CA 1.079 59.252 58.200 -0.045 0.000 0.965 322 S CB -0.695 62.473 63.200 -0.054 0.000 0.798 322 S HN 0.762 nan 8.310 nan 0.000 0.488 323 C N 0.762 120.024 119.300 -0.063 0.000 2.754 323 C HA 0.691 5.153 4.460 0.004 0.000 0.276 323 C C 1.751 176.713 174.990 -0.046 0.000 1.264 323 C CA -0.360 58.625 59.018 -0.055 0.000 1.700 323 C CB -0.976 26.723 27.740 -0.069 0.000 1.885 323 C HN 0.603 nan 8.230 nan 0.000 0.607 324 G N 0.976 109.753 108.800 -0.039 0.000 2.157 324 G HA2 -0.205 3.757 3.960 0.004 0.000 0.248 324 G HA3 -0.205 3.757 3.960 0.004 0.000 0.248 324 G C 0.287 175.167 174.900 -0.033 0.000 0.979 324 G CA 0.539 45.627 45.100 -0.020 0.000 0.650 324 G HN 0.524 nan 8.290 nan 0.000 0.529 325 D N -0.091 120.273 120.400 -0.060 0.000 2.348 325 D HA 0.187 4.829 4.640 0.004 0.000 0.211 325 D C 1.071 177.333 176.300 -0.064 0.000 0.998 325 D CA 0.647 54.604 54.000 -0.073 0.000 0.873 325 D CB 0.400 41.145 40.800 -0.092 0.000 0.925 325 D HN 0.454 nan 8.370 nan 0.000 0.524 326 L N 0.982 122.177 121.223 -0.046 0.000 2.446 326 L HA 0.231 4.574 4.340 0.004 0.000 0.268 326 L C 0.233 177.108 176.870 0.008 0.000 0.975 326 L CA -0.400 54.425 54.840 -0.026 0.000 0.848 326 L CB 2.240 44.277 42.059 -0.036 0.000 1.225 326 L HN -0.366 nan 8.230 nan 0.000 0.410 327 Q N 1.483 121.313 119.800 0.050 0.000 2.402 327 Q HA 0.169 4.511 4.340 0.004 0.000 0.231 327 Q C 0.219 176.259 176.000 0.066 0.000 0.888 327 Q CA 0.292 56.148 55.803 0.088 0.000 0.938 327 Q CB 0.874 29.740 28.738 0.213 0.000 1.086 327 Q HN 0.557 nan 8.270 nan 0.000 0.543 328 V N -1.950 118.004 119.914 0.067 0.000 3.001 328 V HA 0.949 5.071 4.120 0.004 0.000 0.314 328 V C -0.555 175.592 176.094 0.088 0.000 1.099 328 V CA -0.554 61.802 62.300 0.093 0.000 0.989 328 V CB 2.016 33.956 31.823 0.194 0.000 1.040 328 V HN 0.172 nan 8.190 nan 0.000 0.434 329 T N 0.004 114.620 114.554 0.102 0.000 2.900 329 T HA 0.941 5.294 4.350 0.004 0.000 0.295 329 T C -0.055 174.733 174.700 0.147 0.000 1.044 329 T CA -0.015 62.147 62.100 0.104 0.000 0.995 329 T CB 1.462 70.368 68.868 0.064 0.000 1.072 329 T HN 1.746 nan 8.240 nan 0.000 0.473 330 G N -0.060 108.839 108.800 0.165 0.000 2.921 330 G HA2 0.574 4.537 3.960 0.004 0.000 0.291 330 G HA3 0.574 4.537 3.960 0.004 0.000 0.291 330 G C 0.326 175.312 174.900 0.144 0.000 1.370 330 G CA -0.221 44.992 45.100 0.188 0.000 0.847 330 G HN 1.110 nan 8.290 nan 0.000 0.532 331 S N -2.112 113.666 115.700 0.129 0.000 2.539 331 S HA 0.420 4.892 4.470 0.004 0.000 0.226 331 S C 1.735 176.348 174.600 0.022 0.000 1.054 331 S CA 1.407 59.679 58.200 0.120 0.000 0.910 331 S CB 0.371 63.681 63.200 0.182 0.000 0.818 331 S HN 2.477 nan 8.310 nan 0.000 0.490 332 A N 1.159 123.891 122.820 -0.146 0.000 2.798 332 A HA -0.296 4.027 4.320 0.004 0.000 0.282 332 A C 0.309 177.827 177.584 -0.111 0.000 1.464 332 A CA 1.277 53.052 52.037 -0.435 0.000 0.844 332 A CB -2.990 15.669 19.000 -0.568 0.000 1.006 332 A HN 0.941 nan 8.150 nan 0.000 0.577 333 H N -1.017 117.996 119.070 -0.095 0.000 3.184 333 H HA 0.312 4.870 4.556 0.004 0.000 0.274 333 H C 0.293 175.595 175.328 -0.044 0.000 0.962 333 H CA 1.535 57.568 56.048 -0.026 0.000 1.441 333 H CB 0.124 29.925 29.762 0.064 0.000 1.518 333 H HN 0.789 nan 8.280 nan 0.000 0.539 334 C N 6.476 125.674 119.300 -0.169 0.000 3.384 334 C HA 0.262 4.724 4.460 0.004 0.000 0.294 334 C C -0.197 174.638 174.990 -0.258 0.000 1.062 334 C CA -0.039 58.914 59.018 -0.109 0.000 1.325 334 C CB -1.379 26.399 27.740 0.064 0.000 1.793 334 C HN 0.990 nan 8.230 nan 0.000 0.563 335 T N 0.564 114.858 114.554 -0.434 0.000 2.902 335 T HA 0.817 5.169 4.350 0.004 0.000 0.283 335 T C -0.808 173.533 174.700 -0.598 0.000 1.009 335 T CA -0.323 61.546 62.100 -0.384 0.000 1.051 335 T CB 1.368 70.041 68.868 -0.325 0.000 0.999 335 T HN 0.380 nan 8.240 nan 0.000 0.474 336 F N 1.982 121.908 119.950 -0.039 0.000 2.561 336 F HA 0.413 4.942 4.527 0.004 0.000 0.313 336 F C 0.393 176.203 175.800 0.018 0.000 1.126 336 F CA -1.173 56.826 58.000 -0.003 0.000 0.918 336 F CB 1.821 40.826 39.000 0.007 0.000 1.199 336 F HN 0.773 nan 8.300 nan 0.000 0.444 337 N N -0.229 118.583 118.700 0.186 0.000 2.317 337 N HA 0.145 4.887 4.740 0.004 0.000 0.245 337 N C 0.763 176.389 175.510 0.194 0.000 1.294 337 N CA -0.205 52.941 53.050 0.159 0.000 0.924 337 N CB 0.036 38.592 38.487 0.115 0.000 1.186 337 N HN 0.561 nan 8.380 nan 0.000 0.495 338 T N -0.539 114.142 114.554 0.213 0.000 2.699 338 T HA -0.217 4.136 4.350 0.004 0.000 0.268 338 T C 1.765 176.595 174.700 0.216 0.000 1.036 338 T CA 2.043 64.290 62.100 0.245 0.000 1.147 338 T CB -0.741 68.303 68.868 0.293 0.000 0.862 338 T HN 0.695 nan 8.240 nan 0.000 0.446 339 A N 1.253 124.168 122.820 0.159 0.000 1.902 339 A HA -0.162 4.161 4.320 0.004 0.000 0.217 339 A C 2.309 179.963 177.584 0.116 0.000 1.181 339 A CA 1.548 53.654 52.037 0.116 0.000 0.623 339 A CB -0.613 18.437 19.000 0.083 0.000 0.818 339 A HN 0.574 nan 8.150 nan 0.000 0.443 340 Q N -0.467 119.417 119.800 0.139 0.000 2.079 340 Q HA -0.138 4.205 4.340 0.004 0.000 0.200 340 Q C 1.981 178.049 176.000 0.112 0.000 0.974 340 Q CA 1.279 57.165 55.803 0.137 0.000 0.840 340 Q CB -0.168 28.713 28.738 0.238 0.000 0.898 340 Q HN 0.416 nan 8.270 nan 0.000 0.430 341 K N 0.681 121.179 120.400 0.163 0.000 2.103 341 K HA -0.101 4.221 4.320 0.004 0.000 0.207 341 K C 1.863 178.658 176.600 0.325 0.000 1.048 341 K CA 1.246 57.643 56.287 0.183 0.000 0.930 341 K CB -0.335 32.269 32.500 0.173 0.000 0.716 341 K HN 0.170 nan 8.250 nan 0.000 0.444 342 A N 1.121 124.113 122.820 0.288 0.000 2.239 342 A HA -0.021 4.302 4.320 0.004 0.000 0.209 342 A C 2.128 179.704 177.584 -0.012 0.000 1.171 342 A CA 0.549 52.652 52.037 0.109 0.000 0.768 342 A CB -0.493 18.507 19.000 -0.000 0.000 0.790 342 A HN 0.045 nan 8.150 nan 0.000 0.478 343 V N -0.619 119.318 119.914 0.039 0.000 2.720 343 V HA -0.152 3.970 4.120 0.004 0.000 0.256 343 V C 2.117 178.206 176.094 -0.007 0.000 1.082 343 V CA 1.789 64.087 62.300 -0.003 0.000 1.101 343 V CB -0.701 31.119 31.823 -0.004 0.000 0.693 343 V HN 0.629 nan 8.190 nan 0.000 0.479 344 G N 0.176 109.014 108.800 0.064 0.000 3.707 344 G HA2 0.102 4.064 3.960 0.004 0.000 0.286 344 G HA3 0.102 4.064 3.960 0.004 0.000 0.286 344 G C 1.226 176.212 174.900 0.144 0.000 1.112 344 G CA 0.109 45.270 45.100 0.102 0.000 0.861 344 G HN 0.589 nan 8.290 nan 0.000 0.534 345 K N 0.066 120.354 120.400 -0.187 0.000 2.127 345 K HA -0.131 4.191 4.320 0.004 0.000 0.208 345 K C 0.645 177.085 176.600 -0.265 0.000 1.047 345 K CA 1.538 57.432 56.287 -0.656 0.000 0.927 345 K CB 0.025 32.039 32.500 -0.810 0.000 0.716 345 K HN 0.105 nan 8.250 nan 0.000 0.450 346 D N 0.144 120.468 120.400 -0.126 0.000 2.398 346 D HA 0.062 4.704 4.640 0.004 0.000 0.210 346 D C -0.461 175.830 176.300 -0.015 0.000 1.094 346 D CA 0.115 54.078 54.000 -0.060 0.000 0.839 346 D CB 0.273 41.027 40.800 -0.078 0.000 0.963 346 D HN 0.157 nan 8.370 nan 0.000 0.506 347 N N 0.685 119.388 118.700 0.006 0.000 2.655 347 N HA -0.041 4.701 4.740 0.004 0.000 0.277 347 N C 0.419 175.897 175.510 -0.053 0.000 1.177 347 N CA -0.512 52.493 53.050 -0.074 0.000 0.882 347 N CB 0.378 38.785 38.487 -0.132 0.000 1.481 347 N HN -0.175 nan 8.380 nan 0.000 0.547 348 F N 2.118 122.121 119.950 0.088 0.000 2.250 348 F HA -0.039 4.489 4.527 0.002 0.000 0.301 348 F C 1.972 177.818 175.800 0.078 0.000 1.077 348 F CA 1.533 59.589 58.000 0.093 0.000 1.348 348 F CB -1.187 37.850 39.000 0.062 0.000 1.040 348 F HN 0.416 nan 8.300 nan 0.000 0.509 349 T N -1.602 112.651 114.554 -0.503 0.000 3.007 349 T HA -0.006 4.346 4.350 0.004 0.000 0.270 349 T C 1.704 176.368 174.700 -0.060 0.000 1.107 349 T CA 1.187 63.165 62.100 -0.202 0.000 1.118 349 T CB -0.749 67.902 68.868 -0.362 0.000 0.889 349 T HN 0.515 nan 8.240 nan 0.000 0.506 350 L N 0.049 121.230 121.223 -0.069 0.000 2.529 350 L HA 0.403 4.745 4.340 0.004 0.000 0.223 350 L C 0.694 177.555 176.870 -0.015 0.000 1.113 350 L CA -0.138 54.677 54.840 -0.042 0.000 0.861 350 L CB -0.152 41.879 42.059 -0.048 0.000 1.012 350 L HN 0.270 nan 8.230 nan 0.000 0.461 351 I N 3.078 123.670 120.570 0.036 0.000 2.662 351 I HA 0.008 4.180 4.170 0.004 0.000 0.285 351 I C -1.732 174.326 176.117 -0.098 0.000 1.161 351 I CA -1.546 59.768 61.300 0.023 0.000 1.415 351 I CB 0.047 38.079 38.000 0.053 0.000 1.385 351 I HN -0.126 nan 8.210 nan 0.000 0.552 352 P HA 0.023 nan 4.420 nan 0.000 0.264 352 P C -0.812 176.269 177.300 -0.365 0.000 1.193 352 P CA 0.088 62.900 63.100 -0.480 0.000 0.763 352 P CB 0.400 31.490 31.700 -1.017 0.000 0.810 353 E N 1.639 121.723 120.200 -0.193 0.000 2.229 353 E HA 0.602 4.954 4.350 0.004 0.000 0.283 353 E C 0.575 177.276 176.600 0.167 0.000 1.030 353 E CA -0.255 56.152 56.400 0.011 0.000 0.836 353 E CB 0.789 30.580 29.700 0.152 0.000 1.068 353 E HN 0.691 nan 8.360 nan 0.000 0.401 354 G N 1.196 110.102 108.800 0.175 0.000 2.340 354 G HA2 0.345 4.307 3.960 0.004 0.000 0.300 354 G HA3 0.345 4.307 3.960 0.004 0.000 0.300 354 G C -1.095 173.845 174.900 0.067 0.000 1.488 354 G CA -0.602 44.619 45.100 0.201 0.000 0.878 354 G HN 0.429 nan 8.290 nan 0.000 0.618 355 T N -0.271 114.252 114.554 -0.052 0.000 2.792 355 T HA 0.602 4.954 4.350 0.004 0.000 0.303 355 T C -0.124 174.413 174.700 -0.271 0.000 1.310 355 T CA -0.302 61.692 62.100 -0.175 0.000 1.007 355 T CB 1.359 70.106 68.868 -0.202 0.000 1.335 355 T HN 1.040 nan 8.240 nan 0.000 0.504 356 N N 0.166 118.694 118.700 -0.287 0.000 2.366 356 N HA 0.509 5.252 4.740 0.004 0.000 0.277 356 N C 0.722 176.303 175.510 0.119 0.000 1.275 356 N CA 0.251 53.145 53.050 -0.261 0.000 0.964 356 N CB 0.847 39.309 38.487 -0.041 0.000 1.167 356 N HN 1.034 nan 8.380 nan 0.000 0.568 357 G N -2.763 106.323 108.800 0.477 0.000 3.732 357 G HA2 -0.180 3.783 3.960 0.004 0.000 0.220 357 G HA3 -0.180 3.783 3.960 0.004 0.000 0.220 357 G C 0.635 175.735 174.900 0.333 0.000 0.903 357 G CA 0.344 45.723 45.100 0.465 0.000 0.896 357 G HN 0.657 nan 8.290 nan 0.000 0.685 358 T N 0.079 114.832 114.554 0.331 0.000 2.896 358 T HA 0.058 4.410 4.350 0.004 0.000 0.263 358 T C 1.829 176.575 174.700 0.076 0.000 1.050 358 T CA 1.969 64.141 62.100 0.120 0.000 1.140 358 T CB 0.020 68.862 68.868 -0.042 0.000 0.877 358 T HN 0.427 nan 8.240 nan 0.000 0.457 359 E N -0.065 120.174 120.200 0.065 0.000 2.152 359 E HA -0.104 4.248 4.350 0.004 0.000 0.192 359 E C 1.601 178.252 176.600 0.086 0.000 0.983 359 E CA 0.997 57.431 56.400 0.057 0.000 0.818 359 E CB 0.154 29.882 29.700 0.046 0.000 0.758 359 E HN 0.438 nan 8.360 nan 0.000 0.467 360 E N -0.287 119.967 120.200 0.091 0.000 2.447 360 E HA 0.033 4.385 4.350 0.004 0.000 0.195 360 E C 1.591 178.192 176.600 0.002 0.000 1.028 360 E CA -0.064 56.336 56.400 0.000 0.000 0.876 360 E CB 0.109 29.706 29.700 -0.173 0.000 0.885 360 E HN 0.107 nan 8.360 nan 0.000 0.500 361 R N 0.694 121.233 120.500 0.066 0.000 2.115 361 R HA -0.177 4.165 4.340 0.004 0.000 0.239 361 R C 1.878 178.269 176.300 0.152 0.000 1.133 361 R CA 1.991 58.142 56.100 0.086 0.000 0.935 361 R CB -0.137 30.224 30.300 0.102 0.000 0.853 361 R HN 0.192 nan 8.270 nan 0.000 0.433 362 M N -0.190 119.543 119.600 0.222 0.000 2.319 362 M HA -0.074 4.409 4.480 0.004 0.000 0.265 362 M C 2.072 178.729 176.300 0.594 0.000 1.068 362 M CA 1.288 56.802 55.300 0.357 0.000 1.118 362 M CB 0.274 33.033 32.600 0.265 0.000 1.395 362 M HN 0.190 nan 8.290 nan 0.000 0.435 363 S N -0.044 115.953 115.700 0.495 0.000 2.377 363 S HA -0.047 4.426 4.470 0.004 0.000 0.223 363 S C 1.946 176.712 174.600 0.276 0.000 1.030 363 S CA 0.785 59.242 58.200 0.429 0.000 0.970 363 S CB -0.303 63.012 63.200 0.192 0.000 0.830 363 S HN 0.235 nan 8.310 nan 0.000 0.473 364 V N 2.485 122.474 119.914 0.124 0.000 2.343 364 V HA -0.155 3.967 4.120 0.004 0.000 0.247 364 V C 2.103 178.278 176.094 0.136 0.000 1.051 364 V CA 1.493 63.814 62.300 0.036 0.000 1.036 364 V CB -0.663 31.060 31.823 -0.167 0.000 0.654 364 V HN 0.444 nan 8.190 nan 0.000 0.451 365 I N -1.266 119.441 120.570 0.227 0.000 2.202 365 I HA -0.251 3.921 4.170 0.004 0.000 0.242 365 I C 2.434 178.703 176.117 0.254 0.000 1.091 365 I CA 1.812 63.270 61.300 0.262 0.000 1.368 365 I CB -0.432 37.786 38.000 0.363 0.000 1.058 365 I HN 0.499 nan 8.210 nan 0.000 0.410 366 W N 2.491 123.854 121.300 0.105 0.000 2.317 366 W HA -0.331 4.331 4.660 0.004 0.000 0.318 366 W C 2.161 178.661 176.519 -0.030 0.000 1.227 366 W CA 2.586 59.832 57.345 -0.165 0.000 1.269 366 W CB -0.437 28.936 29.460 -0.144 0.000 1.155 366 W HN 0.282 nan 8.180 nan 0.000 0.484 367 D N -0.204 120.345 120.400 0.249 0.000 2.097 367 D HA -0.201 4.442 4.640 0.004 0.000 0.195 367 D C 2.120 178.437 176.300 0.028 0.000 0.989 367 D CA 1.917 56.002 54.000 0.142 0.000 0.827 367 D CB -0.082 40.806 40.800 0.147 0.000 0.966 367 D HN -0.103 nan 8.370 nan 0.000 0.456 368 K N -0.448 119.974 120.400 0.037 0.000 2.314 368 K HA 0.202 4.524 4.320 0.004 0.000 0.198 368 K C 1.459 178.049 176.600 -0.016 0.000 1.045 368 K CA 0.721 57.022 56.287 0.023 0.000 0.988 368 K CB 0.733 33.266 32.500 0.054 0.000 0.783 368 K HN 0.197 nan 8.250 nan 0.000 0.484 369 A N 0.281 123.069 122.820 -0.053 0.000 2.026 369 A HA 0.101 4.423 4.320 0.004 0.000 0.201 369 A C 2.107 179.575 177.584 -0.193 0.000 1.318 369 A CA 0.139 52.126 52.037 -0.083 0.000 0.857 369 A CB 0.195 19.181 19.000 -0.023 0.000 0.939 369 A HN -0.013 nan 8.150 nan 0.000 0.476 370 V N -0.640 119.048 119.914 -0.378 0.000 2.436 370 V HA -0.069 4.053 4.120 0.004 0.000 0.240 370 V C 2.425 178.237 176.094 -0.470 0.000 1.040 370 V CA 1.472 63.409 62.300 -0.606 0.000 1.052 370 V CB -0.555 30.438 31.823 -1.383 0.000 0.707 370 V HN 0.234 nan 8.190 nan 0.000 0.469 371 V N 1.550 121.201 119.914 -0.438 0.000 2.392 371 V HA -0.245 3.877 4.120 0.004 0.000 0.249 371 V C 2.737 178.757 176.094 -0.124 0.000 1.059 371 V CA 2.574 64.749 62.300 -0.207 0.000 1.051 371 V CB -1.155 30.624 31.823 -0.074 0.000 0.658 371 V HN 0.815 nan 8.190 nan 0.000 0.455 372 T N -2.211 112.275 114.554 -0.112 0.000 3.163 372 T HA 0.192 4.544 4.350 0.004 0.000 0.260 372 T C 1.532 176.190 174.700 -0.071 0.000 1.156 372 T CA 0.948 63.008 62.100 -0.066 0.000 1.072 372 T CB 0.104 68.947 68.868 -0.041 0.000 0.937 372 T HN 1.020 nan 8.240 nan 0.000 0.528 373 G N 1.395 110.131 108.800 -0.106 0.000 2.159 373 G HA2 -0.301 3.661 3.960 0.004 0.000 0.256 373 G HA3 -0.301 3.661 3.960 0.004 0.000 0.256 373 G C 0.823 175.674 174.900 -0.082 0.000 0.977 373 G CA 0.496 45.541 45.100 -0.091 0.000 0.652 373 G HN 0.571 nan 8.290 nan 0.000 0.531 374 K N -0.606 119.742 120.400 -0.088 0.000 2.076 374 K HA 0.246 4.568 4.320 0.004 0.000 0.204 374 K C 1.589 178.146 176.600 -0.072 0.000 1.051 374 K CA 1.442 57.687 56.287 -0.069 0.000 0.949 374 K CB -0.001 32.463 32.500 -0.060 0.000 0.726 374 K HN 0.738 nan 8.250 nan 0.000 0.443 375 M N 0.300 119.842 119.600 -0.097 0.000 2.691 375 M HA 0.333 4.815 4.480 0.004 0.000 0.293 375 M C -1.664 174.558 176.300 -0.129 0.000 1.259 375 M CA -1.123 54.127 55.300 -0.083 0.000 0.827 375 M CB 2.140 34.711 32.600 -0.048 0.000 1.753 375 M HN -0.156 nan 8.290 nan 0.000 0.465 376 D N -0.239 120.110 120.400 -0.086 0.000 2.487 376 D HA 0.230 4.872 4.640 0.004 0.000 0.262 376 D C 0.546 176.808 176.300 -0.063 0.000 1.130 376 D CA -0.272 53.669 54.000 -0.098 0.000 1.038 376 D CB 0.530 41.305 40.800 -0.042 0.000 1.142 376 D HN 0.859 nan 8.370 nan 0.000 0.575 377 E N -0.201 119.984 120.200 -0.025 0.000 2.204 377 E HA -0.213 4.139 4.350 0.004 0.000 0.194 377 E C 0.764 177.489 176.600 0.210 0.000 0.989 377 E CA 1.045 57.523 56.400 0.129 0.000 0.824 377 E CB -0.519 29.318 29.700 0.228 0.000 0.756 377 E HN 0.448 nan 8.360 nan 0.000 0.477 378 N N 0.883 119.651 118.700 0.113 0.000 2.251 378 N HA -0.087 4.655 4.740 0.004 0.000 0.181 378 N C 1.745 177.295 175.510 0.067 0.000 1.019 378 N CA 0.995 54.099 53.050 0.089 0.000 0.862 378 N CB -0.068 38.457 38.487 0.063 0.000 0.992 378 N HN 0.138 nan 8.380 nan 0.000 0.429 379 Q N 0.060 119.893 119.800 0.055 0.000 2.077 379 Q HA -0.203 4.139 4.340 0.004 0.000 0.206 379 Q C 1.665 177.702 176.000 0.062 0.000 0.989 379 Q CA 1.558 57.384 55.803 0.038 0.000 0.853 379 Q CB -0.303 28.448 28.738 0.022 0.000 0.907 379 Q HN 0.387 nan 8.270 nan 0.000 0.418 380 F N 0.628 120.548 119.950 -0.049 0.000 2.091 380 F HA -0.276 4.254 4.527 0.004 0.000 0.299 380 F C 1.920 177.697 175.800 -0.038 0.000 1.103 380 F CA 1.381 59.357 58.000 -0.040 0.000 1.228 380 F CB -0.403 38.593 39.000 -0.007 0.000 0.984 380 F HN -0.155 nan 8.300 nan 0.000 0.477 381 V N 0.656 120.494 119.914 -0.127 0.000 2.343 381 V HA -0.317 3.805 4.120 0.004 0.000 0.247 381 V C 2.798 178.778 176.094 -0.189 0.000 1.051 381 V CA 1.812 63.977 62.300 -0.224 0.000 1.036 381 V CB -1.688 30.107 31.823 -0.046 0.000 0.654 381 V HN 0.532 nan 8.190 nan 0.000 0.451 382 A N 0.665 123.422 122.820 -0.105 0.000 1.865 382 A HA -0.186 4.136 4.320 0.004 0.000 0.217 382 A C 2.305 179.826 177.584 -0.105 0.000 1.191 382 A CA 2.489 54.471 52.037 -0.092 0.000 0.623 382 A CB -0.828 18.141 19.000 -0.052 0.000 0.826 382 A HN 0.780 nan 8.150 nan 0.000 0.444 383 V N -2.183 117.665 119.914 -0.110 0.000 3.461 383 V HA -0.007 4.115 4.120 0.004 0.000 0.267 383 V C 1.837 177.847 176.094 -0.140 0.000 1.186 383 V CA 1.999 64.248 62.300 -0.086 0.000 1.154 383 V CB -1.202 30.599 31.823 -0.038 0.000 0.802 383 V HN 0.686 nan 8.190 nan 0.000 0.474 384 T N -2.406 111.978 114.554 -0.282 0.000 3.015 384 T HA 0.208 4.560 4.350 0.004 0.000 0.250 384 T C 1.460 176.050 174.700 -0.183 0.000 1.057 384 T CA 0.963 62.880 62.100 -0.305 0.000 1.066 384 T CB 0.239 68.723 68.868 -0.640 0.000 0.959 384 T HN 0.742 nan 8.240 nan 0.000 0.488 385 S N 0.286 115.895 115.700 -0.151 0.000 3.984 385 S HA 0.084 4.556 4.470 0.004 0.000 0.221 385 S C 1.864 176.434 174.600 -0.050 0.000 1.149 385 S CA 0.474 58.628 58.200 -0.076 0.000 0.950 385 S CB -0.411 62.744 63.200 -0.076 0.000 1.216 385 S HN 0.286 nan 8.310 nan 0.000 0.547 386 T N 3.406 117.918 114.554 -0.070 0.000 2.746 386 T HA -0.010 4.342 4.350 0.004 0.000 0.267 386 T C 1.628 176.202 174.700 -0.211 0.000 1.039 386 T CA 1.713 63.765 62.100 -0.080 0.000 1.142 386 T CB -0.637 68.182 68.868 -0.081 0.000 0.866 386 T HN 0.316 nan 8.240 nan 0.000 0.444 387 N N 1.671 120.256 118.700 -0.193 0.000 2.069 387 N HA -0.034 4.708 4.740 0.004 0.000 0.191 387 N C 2.178 177.556 175.510 -0.221 0.000 1.031 387 N CA 1.489 54.397 53.050 -0.236 0.000 0.852 387 N CB -0.789 37.651 38.487 -0.078 0.000 1.018 387 N HN 0.465 nan 8.380 nan 0.000 0.423 388 A N 0.989 123.774 122.820 -0.059 0.000 1.883 388 A HA -0.079 4.243 4.320 0.004 0.000 0.217 388 A C 2.382 180.015 177.584 0.081 0.000 1.186 388 A CA 2.335 54.427 52.037 0.092 0.000 0.624 388 A CB -1.149 17.969 19.000 0.197 0.000 0.822 388 A HN 0.334 nan 8.150 nan 0.000 0.444 389 A N -0.296 122.535 122.820 0.019 0.000 1.892 389 A HA -0.255 4.067 4.320 0.004 0.000 0.218 389 A C 2.141 179.693 177.584 -0.052 0.000 1.188 389 A CA 2.145 54.204 52.037 0.036 0.000 0.631 389 A CB -0.509 18.552 19.000 0.102 0.000 0.822 389 A HN 0.593 nan 8.150 nan 0.000 0.447 390 K N -0.598 119.626 120.400 -0.293 0.000 2.062 390 K HA -0.062 4.260 4.320 0.004 0.000 0.205 390 K C 2.070 178.461 176.600 -0.347 0.000 1.051 390 K CA 1.411 57.390 56.287 -0.512 0.000 0.941 390 K CB -0.475 31.246 32.500 -1.299 0.000 0.719 390 K HN 0.523 nan 8.250 nan 0.000 0.440 391 V N -0.442 119.228 119.914 -0.407 0.000 2.358 391 V HA -0.156 3.966 4.120 0.004 0.000 0.246 391 V C 1.590 177.394 176.094 -0.485 0.000 1.047 391 V CA 1.510 63.529 62.300 -0.469 0.000 1.035 391 V CB -0.567 30.726 31.823 -0.883 0.000 0.658 391 V HN 0.104 nan 8.190 nan 0.000 0.452 392 F N 1.297 121.199 119.950 -0.080 0.000 2.797 392 F HA 0.407 4.936 4.527 0.003 0.000 0.302 392 F C 1.312 177.072 175.800 -0.068 0.000 1.130 392 F CA 0.302 58.253 58.000 -0.082 0.000 1.387 392 F CB -0.814 38.119 39.000 -0.111 0.000 1.107 392 F HN 0.379 nan 8.300 nan 0.000 0.577 393 N N 0.254 118.992 118.700 0.064 0.000 2.921 393 N HA -0.175 4.567 4.740 0.004 0.000 0.248 393 N C 0.094 175.626 175.510 0.037 0.000 1.118 393 N CA 0.319 53.399 53.050 0.051 0.000 0.740 393 N CB -1.521 36.994 38.487 0.048 0.000 1.091 393 N HN 0.347 nan 8.380 nan 0.000 0.553 394 L N -0.743 120.508 121.223 0.047 0.000 2.728 394 L HA 0.266 4.608 4.340 0.004 0.000 0.238 394 L C 0.374 177.267 176.870 0.038 0.000 1.143 394 L CA -0.209 54.641 54.840 0.017 0.000 0.937 394 L CB 0.049 42.111 42.059 0.005 0.000 1.225 394 L HN 0.242 nan 8.230 nan 0.000 0.507 395 Y N 2.262 122.522 120.300 -0.067 0.000 2.342 395 Y HA 0.359 4.911 4.550 0.004 0.000 0.334 395 Y C -1.471 174.397 175.900 -0.054 0.000 1.067 395 Y CA -1.899 56.155 58.100 -0.076 0.000 1.128 395 Y CB 1.345 39.731 38.460 -0.122 0.000 1.200 395 Y HN -0.106 nan 8.280 nan 0.000 0.464 396 P HA 0.088 nan 4.420 nan 0.000 0.261 396 P C 1.052 178.104 177.300 -0.413 0.000 1.268 396 P CA 0.274 62.762 63.100 -1.021 0.000 0.833 396 P CB 0.186 31.319 31.700 -0.944 0.000 1.231 397 R N 1.049 121.413 120.500 -0.226 0.000 2.133 397 R HA -0.121 4.221 4.340 0.004 0.000 0.245 397 R C 0.448 176.682 176.300 -0.111 0.000 1.137 397 R CA 1.426 57.444 56.100 -0.136 0.000 0.947 397 R CB 0.040 30.283 30.300 -0.096 0.000 0.865 397 R HN 0.078 nan 8.270 nan 0.000 0.437 398 K N -1.738 118.612 120.400 -0.084 0.000 2.238 398 K HA 0.307 4.629 4.320 0.004 0.000 0.239 398 K C 0.320 176.918 176.600 -0.004 0.000 0.987 398 K CA -0.028 56.233 56.287 -0.043 0.000 0.857 398 K CB 1.655 34.142 32.500 -0.022 0.000 1.154 398 K HN 0.341 nan 8.250 nan 0.000 0.439 399 G N 0.847 109.655 108.800 0.013 0.000 2.159 399 G HA2 -0.283 3.680 3.960 0.004 0.000 0.256 399 G HA3 -0.283 3.680 3.960 0.004 0.000 0.256 399 G C 0.079 175.029 174.900 0.085 0.000 0.977 399 G CA 0.575 45.712 45.100 0.062 0.000 0.652 399 G HN 0.521 nan 8.290 nan 0.000 0.531 400 R N -0.476 120.029 120.500 0.008 0.000 2.536 400 R HA 0.494 4.837 4.340 0.004 0.000 0.269 400 R C -0.766 175.520 176.300 -0.023 0.000 1.113 400 R CA -1.082 55.021 56.100 0.005 0.000 0.948 400 R CB 0.681 30.944 30.300 -0.061 0.000 1.237 400 R HN 0.020 nan 8.270 nan 0.000 0.441 401 I N 3.714 124.287 120.570 0.005 0.000 2.294 401 I HA 0.448 4.620 4.170 0.004 0.000 0.295 401 I C 0.022 176.162 176.117 0.039 0.000 1.098 401 I CA 0.015 61.316 61.300 0.002 0.000 1.277 401 I CB 0.236 38.224 38.000 -0.020 0.000 1.434 401 I HN 0.691 nan 8.210 nan 0.000 0.498 402 A N 5.771 128.599 122.820 0.012 0.000 2.604 402 A HA 0.602 4.924 4.320 0.004 0.000 0.295 402 A C -0.867 176.717 177.584 0.001 0.000 1.067 402 A CA -0.591 51.459 52.037 0.023 0.000 0.683 402 A CB 1.207 20.198 19.000 -0.015 0.000 1.281 402 A HN 0.174 nan 8.150 nan 0.000 0.407 403 V N 1.689 121.613 119.914 0.017 0.000 2.509 403 V HA 0.405 4.527 4.120 0.004 0.000 0.297 403 V C 1.540 177.624 176.094 -0.017 0.000 1.014 403 V CA 2.294 64.600 62.300 0.010 0.000 1.127 403 V CB 0.266 32.104 31.823 0.025 0.000 0.925 403 V HN 2.348 nan 8.190 nan 0.000 0.480 404 G N 3.763 112.548 108.800 -0.025 0.000 2.179 404 G HA2 -0.201 3.762 3.960 0.004 0.000 0.220 404 G HA3 -0.201 3.762 3.960 0.004 0.000 0.220 404 G C 0.306 175.171 174.900 -0.057 0.000 0.990 404 G CA 0.097 45.174 45.100 -0.037 0.000 0.646 404 G HN 0.713 nan 8.290 nan 0.000 0.517 405 S N 0.783 116.444 115.700 -0.066 0.000 2.672 405 S HA 0.553 5.026 4.470 0.004 0.000 0.276 405 S C -0.091 174.469 174.600 -0.067 0.000 1.207 405 S CA -0.587 57.563 58.200 -0.083 0.000 1.002 405 S CB 1.090 64.230 63.200 -0.101 0.000 0.998 405 S HN 0.307 nan 8.310 nan 0.000 0.542 406 D N 1.562 121.921 120.400 -0.068 0.000 2.423 406 D HA 0.292 4.934 4.640 0.004 0.000 0.238 406 D C 0.008 176.277 176.300 -0.051 0.000 1.142 406 D CA 0.184 54.150 54.000 -0.056 0.000 0.884 406 D CB 0.414 41.182 40.800 -0.052 0.000 1.199 406 D HN 0.540 nan 8.370 nan 0.000 0.438 407 A N 2.487 125.276 122.820 -0.050 0.000 3.168 407 A HA 0.154 4.477 4.320 0.004 0.000 0.260 407 A C -0.602 176.962 177.584 -0.034 0.000 1.598 407 A CA -0.535 51.472 52.037 -0.050 0.000 1.285 407 A CB -0.265 18.694 19.000 -0.069 0.000 1.149 407 A HN 0.268 nan 8.150 nan 0.000 0.630 408 D N 1.099 121.483 120.400 -0.027 0.000 2.329 408 D HA 0.596 5.238 4.640 0.004 0.000 0.232 408 D C -0.488 175.806 176.300 -0.009 0.000 1.088 408 D CA 0.181 54.174 54.000 -0.013 0.000 0.835 408 D CB 1.577 42.371 40.800 -0.009 0.000 1.078 408 D HN 0.195 nan 8.370 nan 0.000 0.495 409 L N 1.041 122.264 121.223 0.001 0.000 2.403 409 L HA 0.622 4.964 4.340 0.004 0.000 0.253 409 L C -0.688 176.202 176.870 0.034 0.000 1.045 409 L CA -1.069 53.775 54.840 0.007 0.000 0.845 409 L CB 2.131 44.188 42.059 -0.005 0.000 1.447 409 L HN 0.045 nan 8.230 nan 0.000 0.411 410 V N 1.437 121.383 119.914 0.053 0.000 2.668 410 V HA 0.473 4.595 4.120 0.004 0.000 0.304 410 V C -0.532 175.629 176.094 0.111 0.000 1.071 410 V CA -0.478 61.886 62.300 0.106 0.000 0.894 410 V CB 2.068 34.005 31.823 0.190 0.000 1.008 410 V HN 0.518 nan 8.190 nan 0.000 0.425 411 I N 4.362 124.987 120.570 0.092 0.000 2.352 411 I HA 0.245 4.417 4.170 0.004 0.000 0.290 411 I C -0.395 175.792 176.117 0.116 0.000 1.036 411 I CA -0.023 61.326 61.300 0.081 0.000 1.336 411 I CB 0.761 38.782 38.000 0.034 0.000 1.407 411 I HN 0.638 nan 8.210 nan 0.000 0.497 412 W N 6.973 128.205 121.300 -0.113 0.000 2.551 412 W HA 0.266 4.928 4.660 0.004 0.000 0.330 412 W C -0.893 175.486 176.519 -0.234 0.000 1.063 412 W CA -0.439 56.787 57.345 -0.199 0.000 1.222 412 W CB 1.832 31.127 29.460 -0.275 0.000 1.349 412 W HN 0.410 nan 8.180 nan 0.000 0.536 413 D N 7.024 126.959 120.400 -0.776 0.000 2.443 413 D HA 0.182 4.824 4.640 0.004 0.000 0.221 413 D C -1.409 174.470 176.300 -0.701 0.000 1.097 413 D CA -2.070 51.597 54.000 -0.556 0.000 0.865 413 D CB 1.816 42.337 40.800 -0.466 0.000 1.034 413 D HN 0.099 nan 8.370 nan 0.000 0.511 414 P HA 0.029 nan 4.420 nan 0.000 0.237 414 P C 0.217 177.533 177.300 0.026 0.000 1.178 414 P CA 0.536 63.514 63.100 -0.203 0.000 0.766 414 P CB 0.956 32.766 31.700 0.183 0.000 0.876 415 D N -0.856 119.505 120.400 -0.064 0.000 2.531 415 D HA 0.003 4.645 4.640 0.004 0.000 0.263 415 D C 0.635 176.915 176.300 -0.033 0.000 1.057 415 D CA 0.539 54.541 54.000 0.004 0.000 0.909 415 D CB -0.056 40.746 40.800 0.004 0.000 1.236 415 D HN 0.140 nan 8.370 nan 0.000 0.494 416 S N 1.595 117.234 115.700 -0.101 0.000 2.516 416 S HA 0.292 4.764 4.470 0.004 0.000 0.282 416 S C 0.280 174.826 174.600 -0.089 0.000 1.286 416 S CA -0.642 57.500 58.200 -0.097 0.000 1.066 416 S CB 1.205 64.324 63.200 -0.134 0.000 0.884 416 S HN -0.105 nan 8.310 nan 0.000 0.491 417 V N 3.987 123.873 119.914 -0.046 0.000 2.509 417 V HA 0.472 4.595 4.120 0.004 0.000 0.284 417 V C 0.208 176.280 176.094 -0.037 0.000 1.047 417 V CA -0.553 61.731 62.300 -0.027 0.000 0.952 417 V CB 0.822 32.645 31.823 -0.000 0.000 0.988 417 V HN 0.907 nan 8.190 nan 0.000 0.469 418 K N 1.914 122.294 120.400 -0.034 0.000 2.427 418 K HA 0.510 4.832 4.320 0.004 0.000 0.252 418 K C -0.685 175.910 176.600 -0.009 0.000 0.931 418 K CA -0.637 55.630 56.287 -0.033 0.000 0.793 418 K CB 2.170 34.635 32.500 -0.058 0.000 1.211 418 K HN 0.628 nan 8.250 nan 0.000 0.426 419 T N 3.167 117.720 114.554 -0.003 0.000 2.779 419 T HA 0.250 4.602 4.350 0.004 0.000 0.296 419 T C 0.489 175.198 174.700 0.015 0.000 0.938 419 T CA -0.270 61.837 62.100 0.012 0.000 1.119 419 T CB -0.031 68.842 68.868 0.009 0.000 0.891 419 T HN 0.299 nan 8.240 nan 0.000 0.526 420 I N 3.835 124.429 120.570 0.039 0.000 2.529 420 I HA 0.362 4.534 4.170 0.004 0.000 0.284 420 I C 0.741 176.883 176.117 0.042 0.000 1.082 420 I CA 0.115 61.451 61.300 0.059 0.000 1.406 420 I CB 0.654 38.723 38.000 0.116 0.000 1.405 420 I HN 0.710 nan 8.210 nan 0.000 0.548 421 S N 3.858 119.554 115.700 -0.006 0.000 2.578 421 S HA 0.500 4.972 4.470 0.004 0.000 0.272 421 S C 0.283 174.701 174.600 -0.304 0.000 1.145 421 S CA -0.277 57.868 58.200 -0.093 0.000 0.835 421 S CB 1.315 64.467 63.200 -0.080 0.000 1.104 421 S HN 0.691 nan 8.310 nan 0.000 0.458 422 A N 1.513 124.066 122.820 -0.446 0.000 2.084 422 A HA -0.067 4.255 4.320 0.004 0.000 0.221 422 A C 1.867 179.107 177.584 -0.573 0.000 1.161 422 A CA 1.744 53.270 52.037 -0.851 0.000 0.653 422 A CB -0.855 17.866 19.000 -0.465 0.000 0.802 422 A HN 0.866 nan 8.150 nan 0.000 0.457 423 K N -0.919 119.312 120.400 -0.282 0.000 2.262 423 K HA -0.012 4.310 4.320 0.004 0.000 0.200 423 K C 1.357 177.913 176.600 -0.072 0.000 1.049 423 K CA 1.395 57.599 56.287 -0.138 0.000 0.979 423 K CB -0.300 32.143 32.500 -0.095 0.000 0.773 423 K HN 0.506 nan 8.250 nan 0.000 0.474 424 T N -1.078 113.432 114.554 -0.072 0.000 3.023 424 T HA 0.016 4.369 4.350 0.004 0.000 0.253 424 T C 0.719 175.463 174.700 0.075 0.000 1.038 424 T CA -0.550 61.547 62.100 -0.005 0.000 0.962 424 T CB -0.624 68.235 68.868 -0.014 0.000 1.018 424 T HN 0.467 nan 8.240 nan 0.000 0.521 425 H N 0.989 120.054 119.070 -0.009 0.000 2.603 425 H HA 0.407 4.966 4.556 0.004 0.000 0.370 425 H C -0.733 174.583 175.328 -0.020 0.000 1.225 425 H CA -0.812 55.235 56.048 -0.002 0.000 1.410 425 H CB 0.295 30.074 29.762 0.029 0.000 1.495 425 H HN -0.045 nan 8.280 nan 0.000 0.602 426 N N 0.921 119.622 118.700 0.000 0.000 3.301 426 N HA 0.157 4.900 4.740 0.004 0.000 0.289 426 N C -1.412 173.947 175.510 -0.252 0.000 1.343 426 N CA -0.230 52.751 53.050 -0.115 0.000 1.136 426 N CB 0.992 39.401 38.487 -0.130 0.000 1.402 426 N HN 0.526 nan 8.380 nan 0.000 0.516 427 S N -0.875 114.597 115.700 -0.380 0.000 2.541 427 S HA 0.266 4.738 4.470 0.004 0.000 0.271 427 S C 0.577 175.029 174.600 -0.247 0.000 1.133 427 S CA -0.756 57.189 58.200 -0.425 0.000 0.876 427 S CB 0.786 63.524 63.200 -0.770 0.000 1.105 427 S HN 0.274 nan 8.310 nan 0.000 0.470 428 S N 2.755 118.380 115.700 -0.124 0.000 2.555 428 S HA 0.147 4.620 4.470 0.004 0.000 0.230 428 S C 0.523 175.139 174.600 0.026 0.000 0.978 428 S CA 0.148 58.328 58.200 -0.033 0.000 0.934 428 S CB -0.551 62.630 63.200 -0.033 0.000 0.766 428 S HN 0.494 nan 8.310 nan 0.000 0.533 429 L N 1.996 123.241 121.223 0.037 0.000 2.418 429 L HA 0.340 4.682 4.340 0.004 0.000 0.265 429 L C 1.127 178.112 176.870 0.191 0.000 1.143 429 L CA 0.203 55.113 54.840 0.117 0.000 0.809 429 L CB 0.630 42.756 42.059 0.110 0.000 1.124 429 L HN -0.010 nan 8.230 nan 0.000 0.456 430 E N 0.842 121.104 120.200 0.104 0.000 2.385 430 E HA 0.030 4.383 4.350 0.004 0.000 0.194 430 E C -0.950 175.450 176.600 -0.333 0.000 1.013 430 E CA 0.765 57.117 56.400 -0.081 0.000 0.866 430 E CB 0.090 29.751 29.700 -0.065 0.000 0.832 430 E HN 0.395 nan 8.360 nan 0.000 0.500 431 Y N -0.279 120.052 120.300 0.051 0.000 2.462 431 Y HA 0.409 4.962 4.550 0.004 0.000 0.346 431 Y C -0.457 175.443 175.900 -0.001 0.000 0.976 431 Y CA -1.137 56.961 58.100 -0.004 0.000 1.044 431 Y CB 1.860 40.309 38.460 -0.018 0.000 1.230 431 Y HN -0.235 nan 8.280 nan 0.000 0.455 432 N N 2.259 121.005 118.700 0.077 0.000 2.296 432 N HA 0.317 5.059 4.740 0.004 0.000 0.294 432 N C 0.579 175.981 175.510 -0.179 0.000 1.033 432 N CA -0.576 52.476 53.050 0.003 0.000 0.839 432 N CB 1.122 39.626 38.487 0.028 0.000 1.395 432 N HN 0.726 nan 8.380 nan 0.000 0.479 433 I N -0.228 120.023 120.570 -0.533 0.000 2.916 433 I HA 0.064 4.236 4.170 0.004 0.000 0.267 433 I C -0.134 175.537 176.117 -0.744 0.000 1.263 433 I CA 1.044 61.715 61.300 -1.049 0.000 1.471 433 I CB -0.185 36.819 38.000 -1.661 0.000 1.089 433 I HN 0.358 nan 8.210 nan 0.000 0.468 434 F N 1.402 121.304 119.950 -0.081 0.000 2.639 434 F HA 0.347 4.876 4.527 0.004 0.000 0.300 434 F C 0.885 176.691 175.800 0.011 0.000 1.109 434 F CA -1.013 56.987 58.000 -0.001 0.000 1.335 434 F CB -0.647 38.369 39.000 0.026 0.000 1.014 434 F HN 0.012 nan 8.300 nan 0.000 0.537 435 E N 1.019 121.277 120.200 0.096 0.000 2.585 435 E HA 0.310 4.662 4.350 0.004 0.000 0.252 435 E C 1.313 177.961 176.600 0.081 0.000 0.981 435 E CA 1.022 57.462 56.400 0.066 0.000 0.943 435 E CB 0.027 29.751 29.700 0.040 0.000 0.923 435 E HN 0.519 nan 8.360 nan 0.000 0.486 436 G N 4.050 112.892 108.800 0.069 0.000 2.157 436 G HA2 -0.320 3.642 3.960 0.004 0.000 0.248 436 G HA3 -0.320 3.642 3.960 0.004 0.000 0.248 436 G C 0.293 175.241 174.900 0.079 0.000 0.979 436 G CA 0.170 45.309 45.100 0.064 0.000 0.650 436 G HN 0.579 nan 8.290 nan 0.000 0.529 437 M N 1.995 121.657 119.600 0.104 0.000 2.156 437 M HA 0.319 4.801 4.480 0.004 0.000 0.345 437 M C -0.129 176.213 176.300 0.070 0.000 1.398 437 M CA -0.211 55.152 55.300 0.106 0.000 1.148 437 M CB 0.262 32.950 32.600 0.146 0.000 1.663 437 M HN 0.040 nan 8.290 nan 0.000 0.464 438 E N 4.323 124.559 120.200 0.059 0.000 2.166 438 E HA 0.115 4.468 4.350 0.004 0.000 0.279 438 E C -1.141 175.487 176.600 0.047 0.000 1.095 438 E CA 0.069 56.495 56.400 0.042 0.000 0.888 438 E CB 0.811 30.533 29.700 0.037 0.000 1.041 438 E HN 0.627 nan 8.360 nan 0.000 0.414 439 C N 5.074 124.397 119.300 0.038 0.000 2.381 439 C HA 0.412 4.874 4.460 0.004 0.000 0.328 439 C C 0.120 175.138 174.990 0.047 0.000 1.190 439 C CA -0.806 58.242 59.018 0.049 0.000 1.369 439 C CB 0.371 28.132 27.740 0.035 0.000 2.029 439 C HN 0.770 nan 8.230 nan 0.000 0.448 440 R N 3.624 124.179 120.500 0.091 0.000 2.390 440 R HA 0.579 4.921 4.340 0.004 0.000 0.291 440 R C 0.292 176.691 176.300 0.166 0.000 1.070 440 R CA 1.272 57.436 56.100 0.107 0.000 1.014 440 R CB 0.714 31.109 30.300 0.158 0.000 1.007 440 R HN 1.495 nan 8.270 nan 0.000 0.466 441 G N 1.967 110.727 108.800 -0.068 0.000 3.355 441 G HA2 0.048 4.010 3.960 0.004 0.000 0.686 441 G HA3 0.048 4.010 3.960 0.004 0.000 0.686 441 G C -1.049 173.450 174.900 -0.668 0.000 1.097 441 G CA -0.294 44.573 45.100 -0.389 0.000 0.881 441 G HN 0.998 nan 8.290 nan 0.000 0.550 442 S N 2.739 117.565 115.700 -1.457 0.000 2.558 442 S HA 0.851 5.323 4.470 0.004 0.000 0.277 442 S C -3.194 170.611 174.600 -1.325 0.000 1.143 442 S CA -0.700 56.786 58.200 -1.189 0.000 0.865 442 S CB 3.104 65.978 63.200 -0.544 0.000 1.102 442 S HN 0.848 nan 8.310 nan 0.000 0.454 443 P HA 0.321 nan 4.420 nan 0.000 0.271 443 P C 0.071 177.225 177.300 -0.243 0.000 1.218 443 P CA -0.540 62.359 63.100 -0.336 0.000 0.780 443 P CB 0.865 32.549 31.700 -0.026 0.000 0.901 444 L N 1.762 122.896 121.223 -0.148 0.000 2.349 444 L HA 0.180 4.522 4.340 0.004 0.000 0.200 444 L C 0.557 177.407 176.870 -0.033 0.000 1.064 444 L CA 0.626 55.408 54.840 -0.096 0.000 0.821 444 L CB 0.240 42.250 42.059 -0.082 0.000 1.027 444 L HN 0.117 nan 8.230 nan 0.000 0.476 445 V N 0.060 119.973 119.914 -0.003 0.000 2.735 445 V HA 0.480 4.602 4.120 0.004 0.000 0.310 445 V C -0.646 175.469 176.094 0.036 0.000 1.061 445 V CA -0.755 61.556 62.300 0.019 0.000 0.913 445 V CB 2.421 34.255 31.823 0.018 0.000 1.005 445 V HN -0.218 nan 8.190 nan 0.000 0.428 446 V N 5.026 124.964 119.914 0.039 0.000 2.588 446 V HA 0.600 4.723 4.120 0.004 0.000 0.304 446 V C -0.646 175.469 176.094 0.034 0.000 1.042 446 V CA -0.429 61.898 62.300 0.045 0.000 0.877 446 V CB 1.961 33.812 31.823 0.047 0.000 0.996 446 V HN 0.726 nan 8.190 nan 0.000 0.425 447 I N 3.098 123.684 120.570 0.026 0.000 2.465 447 I HA 0.627 4.800 4.170 0.004 0.000 0.291 447 I C -0.214 175.910 176.117 0.011 0.000 1.014 447 I CA -0.171 61.136 61.300 0.012 0.000 1.093 447 I CB 2.160 40.159 38.000 -0.001 0.000 1.267 447 I HN 0.609 nan 8.210 nan 0.000 0.431 448 S N 5.193 120.899 115.700 0.010 0.000 2.733 448 S HA 0.349 4.821 4.470 0.004 0.000 0.294 448 S C -0.334 174.270 174.600 0.006 0.000 1.149 448 S CA -0.292 57.916 58.200 0.012 0.000 1.034 448 S CB 0.787 64.002 63.200 0.025 0.000 1.015 448 S HN 0.727 nan 8.310 nan 0.000 0.486 449 Q N 2.806 122.604 119.800 -0.003 0.000 2.481 449 Q HA -0.239 4.103 4.340 0.004 0.000 0.272 449 Q C 0.976 176.962 176.000 -0.024 0.000 1.157 449 Q CA 1.158 56.954 55.803 -0.012 0.000 0.935 449 Q CB -1.749 26.990 28.738 0.001 0.000 1.338 449 Q HN 1.694 nan 8.270 nan 0.000 0.494 450 G N -0.879 107.902 108.800 -0.032 0.000 2.241 450 G HA2 -0.324 3.638 3.960 0.004 0.000 0.244 450 G HA3 -0.324 3.638 3.960 0.004 0.000 0.244 450 G C 0.066 174.944 174.900 -0.037 0.000 0.998 450 G CA 0.418 45.489 45.100 -0.049 0.000 0.621 450 G HN 0.259 nan 8.290 nan 0.000 0.519 451 K N 0.543 120.932 120.400 -0.018 0.000 2.118 451 K HA 0.625 4.947 4.320 0.004 0.000 0.267 451 K C 0.307 176.906 176.600 -0.002 0.000 0.991 451 K CA -0.719 55.562 56.287 -0.011 0.000 0.916 451 K CB 1.686 34.187 32.500 0.002 0.000 1.041 451 K HN 0.252 nan 8.250 nan 0.000 0.455 452 I N 2.479 123.045 120.570 -0.007 0.000 2.471 452 I HA -0.060 4.112 4.170 0.004 0.000 0.286 452 I C 1.111 177.255 176.117 0.045 0.000 1.079 452 I CA -0.167 61.138 61.300 0.008 0.000 1.398 452 I CB 0.773 38.762 38.000 -0.018 0.000 1.403 452 I HN 0.480 nan 8.210 nan 0.000 0.530 453 V N 4.421 124.378 119.914 0.072 0.000 3.432 453 V HA 0.417 4.539 4.120 0.004 0.000 0.298 453 V C -0.247 175.914 176.094 0.112 0.000 1.464 453 V CA -0.236 62.126 62.300 0.103 0.000 1.046 453 V CB 0.494 32.350 31.823 0.056 0.000 0.887 453 V HN 0.550 nan 8.190 nan 0.000 0.441 454 L N 1.982 123.276 121.223 0.118 0.000 2.526 454 L HA 0.813 5.155 4.340 0.004 0.000 0.263 454 L C -1.311 175.621 176.870 0.104 0.000 0.943 454 L CA -0.172 54.724 54.840 0.094 0.000 0.859 454 L CB 2.110 44.186 42.059 0.027 0.000 1.313 454 L HN 0.624 nan 8.230 nan 0.000 0.406 455 E N 2.447 122.723 120.200 0.127 0.000 2.388 455 E HA 0.363 4.716 4.350 0.004 0.000 0.282 455 E C -1.383 175.266 176.600 0.082 0.000 1.026 455 E CA -0.644 55.805 56.400 0.082 0.000 0.820 455 E CB 1.202 30.941 29.700 0.064 0.000 1.226 455 E HN 0.535 nan 8.360 nan 0.000 0.432 456 D N 1.253 121.675 120.400 0.037 0.000 2.811 456 D HA -0.228 4.415 4.640 0.004 0.000 0.231 456 D C 0.967 177.272 176.300 0.008 0.000 1.157 456 D CA 2.172 56.187 54.000 0.024 0.000 0.716 456 D CB -1.536 39.289 40.800 0.041 0.000 1.077 456 D HN 1.311 nan 8.370 nan 0.000 0.428 457 G N -1.492 107.302 108.800 -0.011 0.000 2.162 457 G HA2 -0.311 3.651 3.960 0.004 0.000 0.260 457 G HA3 -0.311 3.651 3.960 0.004 0.000 0.260 457 G C 0.376 175.243 174.900 -0.055 0.000 0.976 457 G CA 0.682 45.761 45.100 -0.035 0.000 0.655 457 G HN 0.549 nan 8.290 nan 0.000 0.533 458 T N 2.180 116.697 114.554 -0.061 0.000 2.779 458 T HA 0.613 4.965 4.350 0.004 0.000 0.280 458 T C 0.103 174.600 174.700 -0.338 0.000 0.987 458 T CA -0.688 61.295 62.100 -0.195 0.000 0.966 458 T CB 1.894 70.632 68.868 -0.217 0.000 0.933 458 T HN 0.122 nan 8.240 nan 0.000 0.442 459 L N 4.273 125.302 121.223 -0.324 0.000 2.319 459 L HA 0.293 4.635 4.340 0.004 0.000 0.280 459 L C 0.159 176.769 176.870 -0.433 0.000 1.099 459 L CA 0.021 54.697 54.840 -0.273 0.000 0.828 459 L CB -0.131 41.834 42.059 -0.157 0.000 1.150 459 L HN 0.786 nan 8.230 nan 0.000 0.442 460 H N 1.923 120.993 119.070 0.000 0.000 2.328 460 H HA 0.385 4.943 4.556 0.004 0.000 0.230 460 H C 0.130 175.470 175.328 0.020 0.000 1.481 460 H CA -0.552 55.504 56.048 0.013 0.000 1.306 460 H CB 0.715 30.483 29.762 0.009 0.000 1.531 460 H HN 0.405 nan 8.280 nan 0.000 0.533 461 V N -0.601 119.364 119.914 0.085 0.000 2.973 461 V HA 0.705 4.827 4.120 0.004 0.000 0.314 461 V C 0.173 176.353 176.094 0.143 0.000 1.066 461 V CA -0.554 61.797 62.300 0.085 0.000 1.021 461 V CB 2.129 33.957 31.823 0.008 0.000 1.076 461 V HN 0.416 nan 8.190 nan 0.000 0.462 462 T N 2.286 116.927 114.554 0.146 0.000 2.985 462 T HA 0.321 4.673 4.350 0.004 0.000 0.315 462 T C -0.398 174.403 174.700 0.169 0.000 1.001 462 T CA -0.230 61.955 62.100 0.140 0.000 1.016 462 T CB 0.791 69.710 68.868 0.085 0.000 0.993 462 T HN 1.012 nan 8.240 nan 0.000 0.454 463 E N 1.661 121.986 120.200 0.209 0.000 2.529 463 E HA 0.260 4.612 4.350 0.004 0.000 0.259 463 E C 1.348 177.998 176.600 0.084 0.000 0.966 463 E CA 1.464 57.973 56.400 0.182 0.000 0.937 463 E CB 0.018 29.663 29.700 -0.093 0.000 0.923 463 E HN 0.988 nan 8.360 nan 0.000 0.468 464 G N 2.754 111.609 108.800 0.091 0.000 2.199 464 G HA2 -0.380 3.583 3.960 0.004 0.000 0.254 464 G HA3 -0.380 3.583 3.960 0.004 0.000 0.254 464 G C 0.933 175.876 174.900 0.072 0.000 0.982 464 G CA 0.824 45.959 45.100 0.057 0.000 0.632 464 G HN 0.767 nan 8.290 nan 0.000 0.529 465 S N 0.158 115.908 115.700 0.084 0.000 2.453 465 S HA 0.398 4.871 4.470 0.004 0.000 0.231 465 S C 1.559 176.215 174.600 0.093 0.000 1.005 465 S CA 1.134 59.380 58.200 0.077 0.000 0.949 465 S CB -0.028 63.214 63.200 0.071 0.000 0.774 465 S HN 1.718 nan 8.310 nan 0.000 0.510 466 G N 1.442 110.318 108.800 0.127 0.000 2.432 466 G HA2 0.494 4.456 3.960 0.004 0.000 0.257 466 G HA3 0.494 4.456 3.960 0.004 0.000 0.257 466 G C -0.362 174.674 174.900 0.228 0.000 1.238 466 G CA -0.903 44.304 45.100 0.179 0.000 0.838 466 G HN 0.454 nan 8.290 nan 0.000 0.547 467 R N 0.175 120.769 120.500 0.157 0.000 2.536 467 R HA 0.252 4.594 4.340 0.004 0.000 0.279 467 R C -0.979 175.263 176.300 -0.097 0.000 1.001 467 R CA -0.829 55.323 56.100 0.087 0.000 1.027 467 R CB 1.457 31.765 30.300 0.013 0.000 1.096 467 R HN 0.603 nan 8.270 nan 0.000 0.502 468 Y N 3.265 123.347 120.300 -0.364 0.000 2.436 468 Y HA 0.133 4.685 4.550 0.003 0.000 0.336 468 Y C -0.451 175.218 175.900 -0.384 0.000 1.049 468 Y CA -0.468 57.170 58.100 -0.770 0.000 1.294 468 Y CB 0.524 38.675 38.460 -0.515 0.000 1.179 468 Y HN 0.344 nan 8.280 nan 0.000 0.520 469 I N 9.806 129.818 120.570 -0.930 0.000 2.304 469 I HA 0.244 4.416 4.170 0.004 0.000 0.291 469 I C -2.341 173.238 176.117 -0.898 0.000 1.018 469 I CA -2.702 58.208 61.300 -0.650 0.000 1.260 469 I CB 0.747 38.509 38.000 -0.397 0.000 1.390 469 I HN 0.500 nan 8.210 nan 0.000 0.475 470 P HA 0.324 nan 4.420 nan 0.000 0.275 470 P C -0.780 176.386 177.300 -0.224 0.000 1.227 470 P CA -0.485 62.419 63.100 -0.326 0.000 0.781 470 P CB 0.785 32.444 31.700 -0.068 0.000 0.906 471 R N 1.984 122.388 120.500 -0.160 0.000 2.451 471 R HA 0.348 4.691 4.340 0.004 0.000 0.307 471 R C 0.052 176.320 176.300 -0.053 0.000 0.965 471 R CA -0.780 55.258 56.100 -0.104 0.000 0.865 471 R CB 1.834 32.065 30.300 -0.115 0.000 1.174 471 R HN 0.371 nan 8.270 nan 0.000 0.455 472 K N 3.617 124.000 120.400 -0.028 0.000 2.258 472 K HA 0.190 4.513 4.320 0.004 0.000 0.264 472 K C -1.997 174.596 176.600 -0.011 0.000 1.007 472 K CA -1.373 54.911 56.287 -0.005 0.000 0.941 472 K CB 0.438 32.948 32.500 0.016 0.000 0.966 472 K HN 0.270 nan 8.250 nan 0.000 0.480 473 P HA 0.087 nan 4.420 nan 0.000 0.277 473 P C -0.584 176.655 177.300 -0.102 0.000 1.271 473 P CA -0.291 62.706 63.100 -0.172 0.000 0.795 473 P CB 0.212 31.747 31.700 -0.276 0.000 1.101 474 F N -4.008 115.723 119.950 -0.366 0.000 3.040 474 F HA -0.135 4.394 4.527 0.004 0.000 0.298 474 F C -1.712 174.048 175.800 -0.067 0.000 0.948 474 F CA -0.188 57.531 58.000 -0.468 0.000 1.022 474 F CB -2.869 35.928 39.000 -0.337 0.000 1.023 474 F HN 0.237 nan 8.300 nan 0.000 0.742 475 P HA 0.020 nan 4.420 nan 0.000 0.265 475 P C 0.852 178.315 177.300 0.273 0.000 1.193 475 P CA 0.213 63.427 63.100 0.190 0.000 0.765 475 P CB 0.881 32.667 31.700 0.142 0.000 0.823 476 D N 1.596 122.127 120.400 0.219 0.000 2.123 476 D HA -0.170 4.472 4.640 0.004 0.000 0.196 476 D C 1.510 177.955 176.300 0.241 0.000 0.992 476 D CA 1.200 55.329 54.000 0.215 0.000 0.833 476 D CB -0.616 40.282 40.800 0.164 0.000 0.954 476 D HN 0.330 nan 8.370 nan 0.000 0.455 477 F N 1.292 121.273 119.950 0.052 0.000 2.091 477 F HA -0.257 4.272 4.527 0.004 0.000 0.299 477 F C 2.234 178.067 175.800 0.055 0.000 1.103 477 F CA 1.166 59.176 58.000 0.016 0.000 1.228 477 F CB -0.385 38.578 39.000 -0.061 0.000 0.984 477 F HN -0.172 nan 8.300 nan 0.000 0.477 478 V N -1.802 118.223 119.914 0.185 0.000 2.346 478 V HA -0.257 3.865 4.120 0.004 0.000 0.244 478 V C 1.870 177.947 176.094 -0.029 0.000 1.037 478 V CA 1.737 64.076 62.300 0.066 0.000 1.029 478 V CB -1.024 30.860 31.823 0.102 0.000 0.663 478 V HN 0.300 nan 8.190 nan 0.000 0.454 479 Y N 0.103 120.458 120.300 0.091 0.000 2.510 479 Y HA 0.086 4.638 4.550 0.004 0.000 0.273 479 Y C 2.375 178.332 175.900 0.094 0.000 1.119 479 Y CA 0.589 58.759 58.100 0.118 0.000 1.286 479 Y CB -0.020 38.576 38.460 0.226 0.000 1.061 479 Y HN 0.130 nan 8.280 nan 0.000 0.542 480 K N 0.239 120.747 120.400 0.181 0.000 2.044 480 K HA -0.224 4.098 4.320 0.004 0.000 0.210 480 K C 2.058 178.688 176.600 0.049 0.000 1.049 480 K CA 1.798 58.149 56.287 0.106 0.000 0.927 480 K CB -0.116 32.429 32.500 0.076 0.000 0.713 480 K HN 0.246 nan 8.250 nan 0.000 0.443 481 R N 0.310 120.807 120.500 -0.004 0.000 2.081 481 R HA -0.073 4.269 4.340 0.004 0.000 0.235 481 R C 2.250 178.527 176.300 -0.037 0.000 1.131 481 R CA 1.096 57.173 56.100 -0.038 0.000 0.960 481 R CB -0.295 29.954 30.300 -0.085 0.000 0.856 481 R HN 0.141 nan 8.270 nan 0.000 0.436 482 I N 1.625 122.158 120.570 -0.061 0.000 2.163 482 I HA -0.297 3.875 4.170 0.004 0.000 0.243 482 I C 1.991 178.136 176.117 0.047 0.000 1.085 482 I CA 1.716 62.981 61.300 -0.059 0.000 1.347 482 I CB -0.872 36.995 38.000 -0.222 0.000 1.044 482 I HN 0.188 nan 8.210 nan 0.000 0.408 483 K N 0.835 121.305 120.400 0.117 0.000 2.026 483 K HA -0.116 4.206 4.320 0.004 0.000 0.208 483 K C 2.235 178.866 176.600 0.052 0.000 1.048 483 K CA 1.586 57.941 56.287 0.113 0.000 0.929 483 K CB -0.290 32.285 32.500 0.124 0.000 0.713 483 K HN 0.296 nan 8.250 nan 0.000 0.439 484 A N 1.683 124.523 122.820 0.033 0.000 1.940 484 A HA -0.197 4.125 4.320 0.004 0.000 0.219 484 A C 2.032 179.620 177.584 0.005 0.000 1.176 484 A CA 1.484 53.529 52.037 0.013 0.000 0.631 484 A CB -0.403 18.599 19.000 0.003 0.000 0.814 484 A HN 0.233 nan 8.150 nan 0.000 0.446 485 R N -0.385 120.115 120.500 -0.000 0.000 2.153 485 R HA 0.014 4.356 4.340 0.004 0.000 0.218 485 R C 2.199 178.501 176.300 0.003 0.000 1.072 485 R CA 1.128 57.223 56.100 -0.008 0.000 0.990 485 R CB -0.188 30.097 30.300 -0.025 0.000 0.889 485 R HN 0.480 nan 8.270 nan 0.000 0.452 486 S N 0.748 116.458 115.700 0.017 0.000 2.447 486 S HA -0.054 4.418 4.470 0.004 0.000 0.233 486 S C 1.587 176.198 174.600 0.019 0.000 1.006 486 S CA 0.963 59.178 58.200 0.024 0.000 0.957 486 S CB -0.017 63.210 63.200 0.046 0.000 0.773 486 S HN 0.296 nan 8.310 nan 0.000 0.507 487 R N 0.403 120.912 120.500 0.015 0.000 2.236 487 R HA 0.209 4.551 4.340 0.004 0.000 0.208 487 R C 0.339 176.643 176.300 0.007 0.000 1.036 487 R CA 0.267 56.373 56.100 0.010 0.000 1.001 487 R CB -0.206 30.099 30.300 0.008 0.000 0.896 487 R HN 0.323 nan 8.270 nan 0.000 0.464 488 L N 0.389 121.614 121.223 0.005 0.000 2.466 488 L HA 0.280 4.623 4.340 0.004 0.000 0.257 488 L C 0.932 177.804 176.870 0.004 0.000 1.189 488 L CA -0.778 54.063 54.840 0.002 0.000 0.813 488 L CB 0.308 42.365 42.059 -0.003 0.000 1.118 488 L HN 0.115 nan 8.230 nan 0.000 0.471 489 A N 0.000 122.822 122.820 0.003 0.000 2.254 489 A HA 0.000 4.322 4.320 0.004 0.000 0.244 489 A CA 0.000 52.040 52.037 0.004 0.000 0.836 489 A CB 0.000 19.002 19.000 0.003 0.000 0.831 489 A HN 0.000 nan 8.150 nan 0.000 0.486