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 1hm5_1_B DATA FIRST_RESID 1 DATA SEQUENCE AALTRNPQFQ KLQQWHREHG SELNLRHLFD TDKERFNHFS LTLNTNHGHI DATA SEQUENCE LLDYSKNLVT EEVMHMLLDL AKSRGVEAAR ESMFNGEKIN STEDRAVLHV DATA SEQUENCE ALRNRSNTPI VVDGKDVMPE VNKVLDKMKA FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WFVSNIDGTH IAKTLACLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AKTAKDWFLL SAKDPSTVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA MLGIWYINCF GCETQAVLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDLMK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVVWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE QREAKI 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.629 177.584 0.075 0.000 1.274 1 A CA 0.000 52.081 52.037 0.073 0.000 0.836 1 A CB 0.000 19.070 19.000 0.116 0.000 0.831 2 A N 1.182 124.039 122.820 0.062 0.000 1.883 2 A HA 0.016 4.343 4.320 0.011 0.000 0.217 2 A C 1.987 179.563 177.584 -0.012 0.000 1.186 2 A CA 2.287 54.343 52.037 0.030 0.000 0.624 2 A CB -0.645 18.370 19.000 0.025 0.000 0.822 2 A HN 1.924 nan 8.150 nan 0.000 0.444 3 L N -0.132 121.045 121.223 -0.077 0.000 2.013 3 L HA -0.167 4.180 4.340 0.011 0.000 0.212 3 L C 2.452 179.123 176.870 -0.330 0.000 1.073 3 L CA 2.913 57.563 54.840 -0.316 0.000 0.753 3 L CB -1.189 40.469 42.059 -0.668 0.000 0.890 3 L HN 0.390 nan 8.230 nan 0.000 0.432 4 T N -0.297 114.162 114.554 -0.158 0.000 2.881 4 T HA -0.142 4.214 4.350 0.011 0.000 0.270 4 T C 1.803 176.607 174.700 0.173 0.000 1.068 4 T CA 1.377 63.529 62.100 0.087 0.000 1.131 4 T CB -0.220 68.745 68.868 0.163 0.000 0.871 4 T HN 0.407 nan 8.240 nan 0.000 0.479 5 R N 1.096 121.653 120.500 0.096 0.000 2.297 5 R HA 0.166 4.513 4.340 0.011 0.000 0.197 5 R C 0.699 177.056 176.300 0.094 0.000 0.943 5 R CA -0.135 56.021 56.100 0.093 0.000 1.038 5 R CB -0.139 30.197 30.300 0.061 0.000 0.957 5 R HN 0.316 nan 8.270 nan 0.000 0.484 6 N N 2.307 121.069 118.700 0.103 0.000 2.475 6 N HA 0.007 4.754 4.740 0.011 0.000 0.267 6 N C -1.479 174.117 175.510 0.143 0.000 1.169 6 N CA -1.284 51.827 53.050 0.102 0.000 0.947 6 N CB 1.066 39.601 38.487 0.081 0.000 1.061 6 N HN -0.161 nan 8.380 nan 0.000 0.466 7 P HA -0.149 nan 4.420 nan 0.000 0.218 7 P C 0.508 177.849 177.300 0.067 0.000 1.149 7 P CA 1.223 64.366 63.100 0.072 0.000 0.817 7 P CB 0.375 32.100 31.700 0.042 0.000 0.785 8 Q N -1.205 118.636 119.800 0.068 0.000 2.172 8 Q HA -0.054 4.292 4.340 0.011 0.000 0.200 8 Q C 1.941 177.997 176.000 0.094 0.000 0.964 8 Q CA 1.057 56.886 55.803 0.044 0.000 0.855 8 Q CB -1.228 27.520 28.738 0.015 0.000 0.918 8 Q HN 0.246 nan 8.270 nan 0.000 0.444 9 F N 0.891 120.843 119.950 0.003 0.000 2.128 9 F HA -0.155 4.379 4.527 0.011 0.000 0.295 9 F C 1.906 177.736 175.800 0.051 0.000 1.100 9 F CA 1.290 59.303 58.000 0.023 0.000 1.260 9 F CB -0.026 38.980 39.000 0.010 0.000 1.009 9 F HN 0.000 nan 8.300 nan 0.000 0.476 10 Q N 0.828 120.625 119.800 -0.005 0.000 2.124 10 Q HA -0.238 4.109 4.340 0.011 0.000 0.202 10 Q C 2.299 178.251 176.000 -0.079 0.000 0.977 10 Q CA 1.677 57.426 55.803 -0.090 0.000 0.850 10 Q CB -0.620 28.143 28.738 0.040 0.000 0.901 10 Q HN 0.506 nan 8.270 nan 0.000 0.429 11 K N 0.445 120.835 120.400 -0.018 0.000 2.057 11 K HA -0.154 4.173 4.320 0.011 0.000 0.207 11 K C 2.119 178.753 176.600 0.056 0.000 1.049 11 K CA 0.741 57.043 56.287 0.026 0.000 0.931 11 K CB -0.105 32.408 32.500 0.022 0.000 0.714 11 K HN 0.087 nan 8.250 nan 0.000 0.440 12 L N 1.669 122.887 121.223 -0.007 0.000 2.017 12 L HA -0.191 4.156 4.340 0.011 0.000 0.208 12 L C 2.320 179.264 176.870 0.123 0.000 1.073 12 L CA 1.683 56.559 54.840 0.060 0.000 0.745 12 L CB -0.359 41.711 42.059 0.018 0.000 0.894 12 L HN 0.253 nan 8.230 nan 0.000 0.432 13 Q N -1.086 118.621 119.800 -0.155 0.000 2.124 13 Q HA -0.272 4.074 4.340 0.011 0.000 0.202 13 Q C 2.253 178.267 176.000 0.023 0.000 0.977 13 Q CA 1.698 57.412 55.803 -0.149 0.000 0.850 13 Q CB -0.186 28.314 28.738 -0.397 0.000 0.901 13 Q HN 0.528 nan 8.270 nan 0.000 0.429 14 Q N 0.175 119.992 119.800 0.029 0.000 2.084 14 Q HA -0.181 4.165 4.340 0.011 0.000 0.202 14 Q C 1.498 177.551 176.000 0.089 0.000 0.978 14 Q CA 1.585 57.411 55.803 0.039 0.000 0.844 14 Q CB -0.475 28.285 28.738 0.037 0.000 0.898 14 Q HN 0.449 nan 8.270 nan 0.000 0.426 15 W N -0.035 121.297 121.300 0.053 0.000 2.354 15 W HA -0.236 4.430 4.660 0.011 0.000 0.315 15 W C 2.352 178.968 176.519 0.162 0.000 1.206 15 W CA 2.295 59.730 57.345 0.149 0.000 1.290 15 W CB -0.746 28.841 29.460 0.212 0.000 1.152 15 W HN 0.481 nan 8.180 nan 0.000 0.489 16 H N 0.151 119.520 119.070 0.499 0.000 2.289 16 H HA -0.253 4.310 4.556 0.011 0.000 0.294 16 H C 2.329 177.594 175.328 -0.106 0.000 1.095 16 H CA 2.885 59.079 56.048 0.242 0.000 1.256 16 H CB -0.492 29.253 29.762 -0.028 0.000 1.359 16 H HN 0.051 nan 8.280 nan 0.000 0.487 17 R N 0.262 120.712 120.500 -0.082 0.000 2.133 17 R HA -0.181 4.165 4.340 0.011 0.000 0.245 17 R C 2.201 178.316 176.300 -0.308 0.000 1.137 17 R CA 2.445 58.435 56.100 -0.182 0.000 0.947 17 R CB -0.085 30.150 30.300 -0.109 0.000 0.865 17 R HN 0.606 nan 8.270 nan 0.000 0.437 18 E N -2.314 117.635 120.200 -0.420 0.000 2.250 18 E HA -0.058 4.298 4.350 0.011 0.000 0.192 18 E C 1.154 177.193 176.600 -0.935 0.000 0.986 18 E CA 0.620 56.620 56.400 -0.665 0.000 0.849 18 E CB 0.378 29.582 29.700 -0.827 0.000 0.797 18 E HN 0.565 nan 8.360 nan 0.000 0.482 19 H N -1.437 117.271 119.070 -0.605 0.000 3.266 19 H HA 0.170 4.732 4.556 0.011 0.000 0.246 19 H C 1.931 177.004 175.328 -0.425 0.000 0.998 19 H CA 0.638 56.271 56.048 -0.691 0.000 1.152 19 H CB 0.009 28.884 29.762 -1.478 0.000 1.466 19 H HN 0.151 nan 8.280 nan 0.000 0.481 20 G N 2.180 110.790 108.800 -0.316 0.000 2.833 20 G HA2 -0.413 3.554 3.960 0.011 0.000 0.226 20 G HA3 -0.413 3.554 3.960 0.011 0.000 0.226 20 G C 1.842 176.701 174.900 -0.068 0.000 1.228 20 G CA 2.798 47.697 45.100 -0.334 0.000 0.779 20 G HN 0.504 nan 8.290 nan 0.000 0.651 21 S N 0.577 116.174 115.700 -0.171 0.000 2.537 21 S HA -0.047 4.430 4.470 0.011 0.000 0.240 21 S C 1.869 176.507 174.600 0.062 0.000 0.981 21 S CA 1.751 59.961 58.200 0.017 0.000 0.948 21 S CB 0.002 63.179 63.200 -0.039 0.000 0.759 21 S HN 0.611 nan 8.310 nan 0.000 0.531 22 E N 1.487 121.713 120.200 0.044 0.000 2.299 22 E HA 0.064 4.421 4.350 0.011 0.000 0.193 22 E C 0.238 176.906 176.600 0.115 0.000 0.998 22 E CA -0.061 56.369 56.400 0.051 0.000 0.851 22 E CB -0.172 29.538 29.700 0.017 0.000 0.795 22 E HN 0.615 nan 8.360 nan 0.000 0.492 23 L N 2.674 124.027 121.223 0.217 0.000 2.462 23 L HA 0.092 4.438 4.340 0.011 0.000 0.272 23 L C 0.588 177.592 176.870 0.223 0.000 1.166 23 L CA 0.146 55.149 54.840 0.272 0.000 0.880 23 L CB 0.111 42.424 42.059 0.423 0.000 1.142 23 L HN 0.019 nan 8.230 nan 0.000 0.473 24 N N 3.879 122.701 118.700 0.202 0.000 2.504 24 N HA 0.233 4.980 4.740 0.011 0.000 0.280 24 N C 0.713 176.355 175.510 0.221 0.000 1.052 24 N CA -0.463 52.700 53.050 0.188 0.000 0.887 24 N CB 1.609 40.186 38.487 0.150 0.000 1.323 24 N HN 0.561 nan 8.380 nan 0.000 0.509 25 L N 2.633 123.981 121.223 0.209 0.000 1.990 25 L HA -0.197 4.150 4.340 0.011 0.000 0.213 25 L C 2.596 179.669 176.870 0.338 0.000 1.072 25 L CA 1.498 56.498 54.840 0.265 0.000 0.755 25 L CB -0.294 41.916 42.059 0.251 0.000 0.889 25 L HN 0.583 nan 8.230 nan 0.000 0.432 26 R N -1.021 119.622 120.500 0.238 0.000 2.091 26 R HA -0.235 4.112 4.340 0.011 0.000 0.238 26 R C 2.573 179.005 176.300 0.220 0.000 1.136 26 R CA 1.677 57.897 56.100 0.200 0.000 0.959 26 R CB -0.374 30.003 30.300 0.128 0.000 0.856 26 R HN 0.466 nan 8.270 nan 0.000 0.437 27 H N 0.288 119.436 119.070 0.130 0.000 2.395 27 H HA -0.065 4.498 4.556 0.011 0.000 0.299 27 H C 1.970 177.354 175.328 0.093 0.000 1.070 27 H CA 1.523 57.632 56.048 0.100 0.000 1.356 27 H CB 0.098 29.909 29.762 0.083 0.000 1.401 27 H HN 0.235 nan 8.280 nan 0.000 0.524 28 L N -0.417 120.862 121.223 0.093 0.000 2.056 28 L HA -0.172 4.174 4.340 0.011 0.000 0.207 28 L C 2.518 179.303 176.870 -0.142 0.000 1.078 28 L CA 1.104 55.913 54.840 -0.052 0.000 0.749 28 L CB -0.574 41.442 42.059 -0.072 0.000 0.901 28 L HN 0.157 nan 8.230 nan 0.000 0.433 29 F N 0.274 120.204 119.950 -0.034 0.000 2.186 29 F HA -0.198 4.335 4.527 0.011 0.000 0.299 29 F C 2.300 178.068 175.800 -0.054 0.000 1.090 29 F CA 1.227 59.209 58.000 -0.029 0.000 1.307 29 F CB -0.347 38.643 39.000 -0.017 0.000 1.019 29 F HN 0.099 nan 8.300 nan 0.000 0.489 30 D N -0.700 119.760 120.400 0.100 0.000 2.178 30 D HA -0.127 4.520 4.640 0.011 0.000 0.201 30 D C 2.126 178.387 176.300 -0.065 0.000 0.980 30 D CA 1.886 55.891 54.000 0.009 0.000 0.842 30 D CB -0.554 40.238 40.800 -0.013 0.000 0.948 30 D HN 0.316 nan 8.370 nan 0.000 0.472 31 T N -2.992 111.470 114.554 -0.152 0.000 3.105 31 T HA 0.130 4.487 4.350 0.011 0.000 0.253 31 T C -0.007 174.643 174.700 -0.083 0.000 1.047 31 T CA -0.456 61.554 62.100 -0.150 0.000 0.944 31 T CB 0.512 69.213 68.868 -0.277 0.000 1.016 31 T HN -0.179 nan 8.240 nan 0.000 0.544 32 D N 0.490 120.849 120.400 -0.068 0.000 2.323 32 D HA 0.298 4.944 4.640 0.011 0.000 0.242 32 D C 0.598 176.871 176.300 -0.046 0.000 1.347 32 D CA -0.579 53.387 54.000 -0.056 0.000 0.988 32 D CB 1.375 42.139 40.800 -0.059 0.000 1.314 32 D HN -0.043 nan 8.370 nan 0.000 0.564 33 K N 1.219 121.600 120.400 -0.031 0.000 2.362 33 K HA -0.011 4.316 4.320 0.011 0.000 0.200 33 K C 0.759 177.336 176.600 -0.039 0.000 1.046 33 K CA 0.660 56.941 56.287 -0.009 0.000 0.952 33 K CB 0.462 32.956 32.500 -0.009 0.000 0.753 33 K HN 0.384 nan 8.250 nan 0.000 0.466 34 E N 0.524 120.638 120.200 -0.144 0.000 2.463 34 E HA -0.007 4.350 4.350 0.011 0.000 0.193 34 E C 1.365 177.770 176.600 -0.326 0.000 1.041 34 E CA 0.005 56.208 56.400 -0.328 0.000 0.879 34 E CB 0.325 29.616 29.700 -0.682 0.000 0.997 34 E HN 0.233 nan 8.360 nan 0.000 0.478 35 R N 0.186 120.626 120.500 -0.101 0.000 2.094 35 R HA -0.186 4.161 4.340 0.011 0.000 0.239 35 R C 2.111 178.515 176.300 0.173 0.000 1.137 35 R CA 1.503 57.619 56.100 0.028 0.000 0.943 35 R CB -0.315 29.782 30.300 -0.339 0.000 0.850 35 R HN 0.145 nan 8.270 nan 0.000 0.433 36 F N 1.984 121.973 119.950 0.064 0.000 2.095 36 F HA -0.223 4.310 4.527 0.011 0.000 0.298 36 F C 1.874 177.687 175.800 0.022 0.000 1.104 36 F CA 1.713 59.771 58.000 0.097 0.000 1.232 36 F CB -0.422 38.645 39.000 0.112 0.000 0.987 36 F HN 0.082 nan 8.300 nan 0.000 0.475 37 N N -0.110 118.540 118.700 -0.083 0.000 2.120 37 N HA -0.199 4.548 4.740 0.011 0.000 0.188 37 N C 1.766 177.171 175.510 -0.175 0.000 1.024 37 N CA 1.879 54.819 53.050 -0.183 0.000 0.852 37 N CB -0.833 37.610 38.487 -0.074 0.000 1.003 37 N HN 0.580 nan 8.380 nan 0.000 0.424 38 H N -2.000 116.895 119.070 -0.292 0.000 2.502 38 H HA 0.069 4.632 4.556 0.011 0.000 0.283 38 H C 0.148 174.933 175.328 -0.904 0.000 1.015 38 H CA 0.383 56.091 56.048 -0.566 0.000 1.298 38 H CB 0.190 29.550 29.762 -0.670 0.000 1.411 38 H HN 0.134 nan 8.280 nan 0.000 0.556 39 F N 0.930 120.679 119.950 -0.336 0.000 2.879 39 F HA 0.222 4.756 4.527 0.011 0.000 0.354 39 F C -0.009 175.020 175.800 -1.285 0.000 1.291 39 F CA -0.592 56.900 58.000 -0.845 0.000 1.238 39 F CB 0.739 39.352 39.000 -0.644 0.000 1.005 39 F HN -0.072 nan 8.300 nan 0.000 0.508 40 S N 0.409 115.701 115.700 -0.680 0.000 2.564 40 S HA 0.851 5.327 4.470 0.011 0.000 0.274 40 S C -1.542 172.976 174.600 -0.137 0.000 1.124 40 S CA -0.802 57.114 58.200 -0.474 0.000 0.869 40 S CB 2.673 65.343 63.200 -0.883 0.000 1.105 40 S HN 0.129 nan 8.310 nan 0.000 0.472 41 L N 1.440 122.702 121.223 0.065 0.000 2.438 41 L HA 0.702 5.048 4.340 0.011 0.000 0.270 41 L C -0.956 175.991 176.870 0.128 0.000 0.972 41 L CA 0.144 55.065 54.840 0.133 0.000 0.831 41 L CB 2.137 44.342 42.059 0.243 0.000 1.273 41 L HN 0.949 nan 8.230 nan 0.000 0.405 42 T N 6.102 120.728 114.554 0.119 0.000 2.779 42 T HA 0.620 4.976 4.350 0.011 0.000 0.280 42 T C -0.453 174.342 174.700 0.158 0.000 0.987 42 T CA -0.274 61.919 62.100 0.154 0.000 0.966 42 T CB 0.766 69.733 68.868 0.165 0.000 0.933 42 T HN 0.401 nan 8.240 nan 0.000 0.442 43 L N 3.950 125.255 121.223 0.137 0.000 2.305 43 L HA 0.494 4.841 4.340 0.011 0.000 0.284 43 L C 0.401 177.223 176.870 -0.080 0.000 1.013 43 L CA -0.722 54.179 54.840 0.101 0.000 0.819 43 L CB 1.337 43.453 42.059 0.096 0.000 1.227 43 L HN 0.610 nan 8.230 nan 0.000 0.417 44 N N 1.143 119.765 118.700 -0.131 0.000 2.485 44 N HA 0.124 4.871 4.740 0.011 0.000 0.243 44 N C 0.838 176.139 175.510 -0.348 0.000 0.987 44 N CA -0.254 52.488 53.050 -0.513 0.000 0.940 44 N CB 1.144 39.397 38.487 -0.390 0.000 1.122 44 N HN 0.724 nan 8.380 nan 0.000 0.509 45 T N 0.741 114.924 114.554 -0.619 0.000 3.107 45 T HA 0.094 4.450 4.350 0.011 0.000 0.249 45 T C 0.651 175.021 174.700 -0.550 0.000 1.096 45 T CA 0.028 61.608 62.100 -0.865 0.000 1.012 45 T CB -0.050 68.201 68.868 -1.027 0.000 0.977 45 T HN 0.677 nan 8.240 nan 0.000 0.527 46 N N 0.945 119.346 118.700 -0.499 0.000 2.965 46 N HA -0.149 4.597 4.740 0.011 0.000 0.232 46 N C -0.438 174.551 175.510 -0.869 0.000 0.913 46 N CA 1.546 54.251 53.050 -0.574 0.000 0.981 46 N CB -1.471 36.685 38.487 -0.552 0.000 1.077 46 N HN 0.658 nan 8.380 nan 0.000 0.589 47 H N -0.696 118.122 119.070 -0.420 0.000 2.637 47 H HA 0.552 5.114 4.556 0.011 0.000 0.245 47 H C 1.184 176.356 175.328 -0.260 0.000 1.190 47 H CA 0.591 56.372 56.048 -0.444 0.000 0.934 47 H CB 0.547 29.734 29.762 -0.960 0.000 1.950 47 H HN 0.454 nan 8.280 nan 0.000 0.614 48 G N 0.555 109.281 108.800 -0.122 0.000 2.428 48 G HA2 -0.087 3.880 3.960 0.011 0.000 0.681 48 G HA3 -0.087 3.880 3.960 0.011 0.000 0.681 48 G C -1.367 173.502 174.900 -0.052 0.000 1.340 48 G CA -1.022 44.087 45.100 0.015 0.000 0.915 48 G HN 0.345 nan 8.290 nan 0.000 0.645 49 H N -0.406 118.661 119.070 -0.005 0.000 2.502 49 H HA 0.663 5.226 4.556 0.011 0.000 0.338 49 H C -0.114 175.253 175.328 0.065 0.000 1.155 49 H CA -0.254 55.796 56.048 0.003 0.000 1.237 49 H CB 2.036 31.812 29.762 0.023 0.000 1.534 49 H HN 0.384 nan 8.280 nan 0.000 0.523 50 I N 3.476 124.140 120.570 0.156 0.000 2.439 50 I HA 0.051 4.227 4.170 0.011 0.000 0.285 50 I C -0.916 175.313 176.117 0.188 0.000 1.021 50 I CA -0.729 60.682 61.300 0.186 0.000 1.091 50 I CB 1.985 40.045 38.000 0.100 0.000 1.242 50 I HN 0.133 nan 8.210 nan 0.000 0.439 51 L N 8.257 129.608 121.223 0.213 0.000 2.272 51 L HA 0.528 4.875 4.340 0.011 0.000 0.289 51 L C -1.120 175.889 176.870 0.231 0.000 1.032 51 L CA -0.427 54.538 54.840 0.210 0.000 0.810 51 L CB 1.374 43.562 42.059 0.216 0.000 1.205 51 L HN 0.523 nan 8.230 nan 0.000 0.422 52 L N 5.396 126.754 121.223 0.225 0.000 2.283 52 L HA 0.485 4.832 4.340 0.011 0.000 0.281 52 L C -0.939 176.110 176.870 0.298 0.000 1.033 52 L CA -0.029 54.973 54.840 0.270 0.000 0.848 52 L CB 0.641 42.856 42.059 0.260 0.000 1.226 52 L HN 0.685 nan 8.230 nan 0.000 0.429 53 D N 3.710 124.288 120.400 0.297 0.000 2.396 53 D HA 0.160 4.806 4.640 0.011 0.000 0.225 53 D C -0.279 176.197 176.300 0.294 0.000 1.121 53 D CA -0.176 53.975 54.000 0.250 0.000 0.853 53 D CB 0.470 41.496 40.800 0.376 0.000 1.043 53 D HN 0.541 nan 8.370 nan 0.000 0.500 54 Y N 1.468 121.892 120.300 0.207 0.000 2.720 54 Y HA 0.253 4.809 4.550 0.011 0.000 0.277 54 Y C 1.415 177.443 175.900 0.213 0.000 1.144 54 Y CA -0.330 57.897 58.100 0.212 0.000 1.221 54 Y CB -0.346 38.233 38.460 0.199 0.000 1.163 54 Y HN 0.204 nan 8.280 nan 0.000 0.537 55 S N 0.068 115.813 115.700 0.076 0.000 2.461 55 S HA -0.031 4.445 4.470 0.011 0.000 0.228 55 S C 1.038 175.762 174.600 0.208 0.000 1.005 55 S CA 0.245 58.484 58.200 0.066 0.000 0.942 55 S CB -0.271 63.074 63.200 0.242 0.000 0.776 55 S HN 0.497 nan 8.310 nan 0.000 0.514 56 K N 2.044 122.632 120.400 0.313 0.000 2.911 56 K HA 0.267 4.594 4.320 0.011 0.000 0.239 56 K C -0.494 176.239 176.600 0.221 0.000 1.090 56 K CA -0.135 56.337 56.287 0.308 0.000 1.225 56 K CB -0.184 32.393 32.500 0.129 0.000 1.087 56 K HN 0.354 nan 8.250 nan 0.000 0.464 57 N N 0.867 119.689 118.700 0.203 0.000 2.384 57 N HA 0.182 4.928 4.740 0.011 0.000 0.301 57 N C -0.349 175.296 175.510 0.225 0.000 1.133 57 N CA -0.668 52.554 53.050 0.287 0.000 0.853 57 N CB 1.359 40.062 38.487 0.359 0.000 1.241 57 N HN -0.068 nan 8.380 nan 0.000 0.502 58 L N 2.253 123.702 121.223 0.377 0.000 2.544 58 L HA 0.116 4.462 4.340 0.011 0.000 0.240 58 L C 0.061 177.184 176.870 0.420 0.000 1.421 58 L CA 0.196 55.274 54.840 0.397 0.000 1.206 58 L CB -1.924 40.411 42.059 0.461 0.000 1.463 58 L HN 0.286 nan 8.230 nan 0.000 0.437 59 V N -1.929 118.039 119.914 0.089 0.000 3.114 59 V HA 0.983 5.110 4.120 0.011 0.000 0.308 59 V C -0.067 175.906 176.094 -0.203 0.000 1.168 59 V CA -0.570 61.668 62.300 -0.103 0.000 1.015 59 V CB 2.118 33.814 31.823 -0.212 0.000 1.050 59 V HN 0.391 nan 8.190 nan 0.000 0.433 60 T N -1.817 112.666 114.554 -0.118 0.000 2.888 60 T HA 0.548 4.905 4.350 0.011 0.000 0.288 60 T C 0.584 175.385 174.700 0.169 0.000 1.063 60 T CA -0.053 62.064 62.100 0.028 0.000 1.010 60 T CB 2.080 70.982 68.868 0.056 0.000 1.214 60 T HN 0.761 nan 8.240 nan 0.000 0.533 61 E N 0.074 120.438 120.200 0.273 0.000 2.153 61 E HA -0.180 4.176 4.350 0.011 0.000 0.194 61 E C 1.837 178.424 176.600 -0.022 0.000 0.988 61 E CA 1.257 57.721 56.400 0.108 0.000 0.811 61 E CB 0.015 29.704 29.700 -0.019 0.000 0.746 61 E HN 0.827 nan 8.360 nan 0.000 0.466 62 E N 0.591 120.751 120.200 -0.067 0.000 2.077 62 E HA -0.173 4.184 4.350 0.011 0.000 0.193 62 E C 2.107 178.495 176.600 -0.353 0.000 0.989 62 E CA 1.053 57.359 56.400 -0.158 0.000 0.800 62 E CB 0.204 29.812 29.700 -0.153 0.000 0.746 62 E HN 0.045 nan 8.360 nan 0.000 0.452 63 V N 1.140 120.742 119.914 -0.521 0.000 2.343 63 V HA -0.280 3.847 4.120 0.011 0.000 0.247 63 V C 2.462 178.256 176.094 -0.500 0.000 1.051 63 V CA 1.486 63.333 62.300 -0.756 0.000 1.036 63 V CB -0.386 30.883 31.823 -0.923 0.000 0.654 63 V HN 0.410 nan 8.190 nan 0.000 0.451 64 M N -0.776 118.668 119.600 -0.260 0.000 2.159 64 M HA -0.176 4.311 4.480 0.011 0.000 0.263 64 M C 2.146 178.397 176.300 -0.082 0.000 1.063 64 M CA 1.742 56.962 55.300 -0.135 0.000 1.110 64 M CB -1.580 31.047 32.600 0.045 0.000 1.374 64 M HN 0.546 nan 8.290 nan 0.000 0.411 65 H N -0.299 118.659 119.070 -0.187 0.000 2.353 65 H HA -0.068 4.495 4.556 0.011 0.000 0.300 65 H C 2.052 177.284 175.328 -0.160 0.000 1.090 65 H CA 1.283 57.238 56.048 -0.155 0.000 1.327 65 H CB 0.236 29.913 29.762 -0.141 0.000 1.383 65 H HN 0.278 nan 8.280 nan 0.000 0.508 66 M N 0.224 119.680 119.600 -0.240 0.000 2.175 66 M HA -0.159 4.327 4.480 0.011 0.000 0.264 66 M C 2.425 178.603 176.300 -0.203 0.000 1.063 66 M CA 1.084 56.216 55.300 -0.280 0.000 1.119 66 M CB -0.030 32.391 32.600 -0.297 0.000 1.377 66 M HN 0.296 nan 8.290 nan 0.000 0.415 67 L N -0.098 121.000 121.223 -0.209 0.000 2.056 67 L HA -0.191 4.156 4.340 0.011 0.000 0.207 67 L C 2.297 179.107 176.870 -0.100 0.000 1.078 67 L CA 1.046 55.798 54.840 -0.146 0.000 0.749 67 L CB -0.479 41.462 42.059 -0.196 0.000 0.901 67 L HN 0.321 nan 8.230 nan 0.000 0.433 68 L N -0.718 120.450 121.223 -0.092 0.000 2.141 68 L HA -0.190 4.156 4.340 0.011 0.000 0.209 68 L C 2.116 178.946 176.870 -0.066 0.000 1.094 68 L CA 0.794 55.600 54.840 -0.056 0.000 0.763 68 L CB -0.519 41.534 42.059 -0.010 0.000 0.908 68 L HN 0.272 nan 8.230 nan 0.000 0.437 69 D N 0.012 120.340 120.400 -0.120 0.000 2.144 69 D HA -0.165 4.482 4.640 0.011 0.000 0.200 69 D C 2.058 178.309 176.300 -0.081 0.000 0.978 69 D CA 0.981 54.900 54.000 -0.136 0.000 0.833 69 D CB -0.005 40.649 40.800 -0.244 0.000 0.961 69 D HN 0.140 nan 8.370 nan 0.000 0.470 70 L N 1.038 122.222 121.223 -0.065 0.000 2.046 70 L HA -0.047 4.300 4.340 0.011 0.000 0.208 70 L C 2.116 178.964 176.870 -0.037 0.000 1.077 70 L CA 1.750 56.577 54.840 -0.022 0.000 0.747 70 L CB -0.825 41.247 42.059 0.023 0.000 0.896 70 L HN -0.044 nan 8.230 nan 0.000 0.432 71 A N -0.620 122.171 122.820 -0.049 0.000 1.908 71 A HA -0.277 4.049 4.320 0.011 0.000 0.218 71 A C 2.477 180.035 177.584 -0.043 0.000 1.181 71 A CA 2.104 54.110 52.037 -0.051 0.000 0.627 71 A CB -0.609 18.366 19.000 -0.042 0.000 0.818 71 A HN 0.515 nan 8.150 nan 0.000 0.445 72 K N 0.101 120.476 120.400 -0.042 0.000 2.025 72 K HA -0.124 4.203 4.320 0.011 0.000 0.207 72 K C 2.306 178.885 176.600 -0.034 0.000 1.049 72 K CA 1.593 57.857 56.287 -0.039 0.000 0.933 72 K CB -0.175 32.301 32.500 -0.041 0.000 0.714 72 K HN 0.622 nan 8.250 nan 0.000 0.438 73 S N 0.288 115.969 115.700 -0.033 0.000 2.447 73 S HA -0.027 4.449 4.470 0.011 0.000 0.233 73 S C 1.611 176.198 174.600 -0.021 0.000 1.006 73 S CA 0.467 58.653 58.200 -0.023 0.000 0.957 73 S CB -0.083 63.108 63.200 -0.015 0.000 0.773 73 S HN 0.198 nan 8.310 nan 0.000 0.507 74 R N 1.161 121.642 120.500 -0.031 0.000 2.310 74 R HA 0.234 4.580 4.340 0.011 0.000 0.202 74 R C 1.412 177.691 176.300 -0.035 0.000 0.933 74 R CA 0.503 56.580 56.100 -0.039 0.000 1.054 74 R CB -0.973 29.287 30.300 -0.067 0.000 0.985 74 R HN 0.649 nan 8.270 nan 0.000 0.489 75 G N 0.936 109.720 108.800 -0.027 0.000 2.246 75 G HA2 -0.251 3.715 3.960 0.011 0.000 0.273 75 G HA3 -0.251 3.715 3.960 0.011 0.000 0.273 75 G C 0.884 175.779 174.900 -0.009 0.000 1.055 75 G CA 0.372 45.461 45.100 -0.018 0.000 0.851 75 G HN 0.198 nan 8.290 nan 0.000 0.500 76 V N -0.400 119.505 119.914 -0.014 0.000 2.343 76 V HA -0.194 3.932 4.120 0.011 0.000 0.247 76 V C 2.624 178.752 176.094 0.056 0.000 1.051 76 V CA 2.900 65.214 62.300 0.023 0.000 1.036 76 V CB -0.414 31.427 31.823 0.030 0.000 0.654 76 V HN 0.676 nan 8.190 nan 0.000 0.451 77 E N 0.154 120.343 120.200 -0.018 0.000 2.051 77 E HA -0.188 4.168 4.350 0.011 0.000 0.192 77 E C 2.326 178.893 176.600 -0.056 0.000 0.991 77 E CA 1.388 57.739 56.400 -0.081 0.000 0.799 77 E CB -0.381 29.254 29.700 -0.109 0.000 0.748 77 E HN 0.595 nan 8.360 nan 0.000 0.449 78 A N 1.216 124.023 122.820 -0.022 0.000 1.930 78 A HA -0.085 4.242 4.320 0.011 0.000 0.217 78 A C 2.350 179.965 177.584 0.053 0.000 1.175 78 A CA 1.584 53.617 52.037 -0.007 0.000 0.627 78 A CB -0.603 18.394 19.000 -0.005 0.000 0.815 78 A HN 0.296 nan 8.150 nan 0.000 0.443 79 A N -0.203 122.685 122.820 0.113 0.000 1.933 79 A HA -0.164 4.162 4.320 0.011 0.000 0.218 79 A C 2.254 180.090 177.584 0.419 0.000 1.175 79 A CA 1.673 53.857 52.037 0.244 0.000 0.628 79 A CB -0.510 18.612 19.000 0.203 0.000 0.814 79 A HN 0.561 nan 8.150 nan 0.000 0.444 80 R N -0.412 120.309 120.500 0.369 0.000 2.073 80 R HA -0.160 4.187 4.340 0.011 0.000 0.234 80 R C 1.821 178.162 176.300 0.068 0.000 1.134 80 R CA 1.685 57.904 56.100 0.198 0.000 0.952 80 R CB -0.240 29.973 30.300 -0.145 0.000 0.850 80 R HN 0.441 nan 8.270 nan 0.000 0.433 81 E N 0.416 120.598 120.200 -0.031 0.000 2.077 81 E HA -0.121 4.236 4.350 0.011 0.000 0.193 81 E C 2.062 178.668 176.600 0.011 0.000 0.989 81 E CA 1.338 57.702 56.400 -0.061 0.000 0.800 81 E CB -0.278 29.362 29.700 -0.099 0.000 0.746 81 E HN 0.282 nan 8.360 nan 0.000 0.452 82 S N 0.973 116.697 115.700 0.039 0.000 2.382 82 S HA -0.150 4.326 4.470 0.011 0.000 0.228 82 S C 1.912 176.510 174.600 -0.003 0.000 1.027 82 S CA 1.403 59.620 58.200 0.028 0.000 0.991 82 S CB -0.192 63.047 63.200 0.065 0.000 0.823 82 S HN 0.294 nan 8.310 nan 0.000 0.469 83 M N 0.236 119.840 119.600 0.006 0.000 2.077 83 M HA -0.084 4.403 4.480 0.011 0.000 0.261 83 M C 1.528 177.680 176.300 -0.247 0.000 1.070 83 M CA 1.732 56.930 55.300 -0.170 0.000 1.125 83 M CB -0.270 32.120 32.600 -0.351 0.000 1.339 83 M HN 0.248 nan 8.290 nan 0.000 0.409 84 F N 1.082 120.865 119.950 -0.278 0.000 2.269 84 F HA -0.165 4.369 4.527 0.011 0.000 0.301 84 F C 1.849 177.509 175.800 -0.234 0.000 1.082 84 F CA 1.163 59.003 58.000 -0.267 0.000 1.360 84 F CB -0.612 38.235 39.000 -0.255 0.000 1.041 84 F HN 0.323 nan 8.300 nan 0.000 0.512 85 N N -0.218 118.467 118.700 -0.025 0.000 2.383 85 N HA 0.086 4.833 4.740 0.011 0.000 0.192 85 N C 1.662 177.088 175.510 -0.139 0.000 1.141 85 N CA 0.987 53.990 53.050 -0.078 0.000 0.851 85 N CB 0.146 38.597 38.487 -0.059 0.000 0.976 85 N HN 0.315 nan 8.380 nan 0.000 0.465 86 G N 0.882 109.562 108.800 -0.199 0.000 2.143 86 G HA2 -0.287 3.680 3.960 0.011 0.000 0.249 86 G HA3 -0.287 3.680 3.960 0.011 0.000 0.249 86 G C -0.084 174.714 174.900 -0.169 0.000 0.981 86 G CA -0.060 44.889 45.100 -0.252 0.000 0.665 86 G HN 0.412 nan 8.290 nan 0.000 0.528 87 E N 0.154 120.288 120.200 -0.109 0.000 2.404 87 E HA 0.291 4.648 4.350 0.011 0.000 0.261 87 E C 0.471 177.046 176.600 -0.041 0.000 1.074 87 E CA -0.042 56.324 56.400 -0.056 0.000 0.917 87 E CB 0.433 30.119 29.700 -0.024 0.000 0.965 87 E HN 0.295 nan 8.360 nan 0.000 0.433 88 K N 3.043 123.441 120.400 -0.002 0.000 2.480 88 K HA 0.082 4.408 4.320 0.011 0.000 0.241 88 K C 1.031 177.669 176.600 0.063 0.000 1.261 88 K CA -0.020 56.285 56.287 0.031 0.000 1.193 88 K CB -0.479 32.053 32.500 0.053 0.000 1.598 88 K HN 0.503 nan 8.250 nan 0.000 0.278 89 I N -2.202 118.404 120.570 0.060 0.000 2.756 89 I HA -0.140 4.036 4.170 0.011 0.000 0.262 89 I C 0.681 176.913 176.117 0.191 0.000 1.225 89 I CA 0.688 62.063 61.300 0.125 0.000 1.472 89 I CB -0.226 37.868 38.000 0.156 0.000 1.094 89 I HN 0.292 nan 8.210 nan 0.000 0.454 90 N N 2.216 121.021 118.700 0.175 0.000 2.671 90 N HA 0.004 4.750 4.740 0.011 0.000 0.274 90 N C 1.374 177.010 175.510 0.210 0.000 1.188 90 N CA 0.332 53.530 53.050 0.247 0.000 1.065 90 N CB 0.452 39.075 38.487 0.226 0.000 1.415 90 N HN 0.437 nan 8.380 nan 0.000 0.511 91 S N 0.964 116.788 115.700 0.207 0.000 2.383 91 S HA -0.202 4.275 4.470 0.011 0.000 0.227 91 S C 2.052 176.764 174.600 0.187 0.000 1.026 91 S CA 1.633 59.934 58.200 0.168 0.000 0.981 91 S CB -0.688 62.596 63.200 0.142 0.000 0.818 91 S HN 0.681 nan 8.310 nan 0.000 0.472 92 T N 0.122 114.828 114.554 0.253 0.000 2.951 92 T HA 0.064 4.420 4.350 0.011 0.000 0.268 92 T C 1.401 176.339 174.700 0.397 0.000 1.073 92 T CA 1.113 63.406 62.100 0.321 0.000 1.134 92 T CB -0.404 68.780 68.868 0.527 0.000 0.884 92 T HN 0.611 nan 8.240 nan 0.000 0.479 93 E N 0.632 121.041 120.200 0.347 0.000 2.498 93 E HA 0.141 4.497 4.350 0.011 0.000 0.203 93 E C -0.146 176.575 176.600 0.203 0.000 1.013 93 E CA 0.019 56.598 56.400 0.298 0.000 0.927 93 E CB 0.193 30.017 29.700 0.206 0.000 1.012 93 E HN 0.466 nan 8.360 nan 0.000 0.482 94 D N 1.452 121.960 120.400 0.180 0.000 2.812 94 D HA -0.189 4.457 4.640 0.011 0.000 0.237 94 D C -0.881 175.498 176.300 0.133 0.000 1.162 94 D CA 0.852 54.935 54.000 0.138 0.000 0.740 94 D CB -0.617 40.253 40.800 0.117 0.000 1.000 94 D HN 0.087 nan 8.370 nan 0.000 0.416 95 R N -0.162 120.423 120.500 0.140 0.000 2.774 95 R HA 0.872 5.219 4.340 0.011 0.000 0.272 95 R C -0.237 176.134 176.300 0.119 0.000 1.000 95 R CA -0.315 55.874 56.100 0.149 0.000 0.906 95 R CB 1.477 31.882 30.300 0.176 0.000 1.227 95 R HN 0.157 nan 8.270 nan 0.000 0.468 96 A N 0.831 123.724 122.820 0.121 0.000 2.296 96 A HA 0.541 4.867 4.320 0.011 0.000 0.264 96 A C -0.623 176.973 177.584 0.020 0.000 1.097 96 A CA -0.352 51.689 52.037 0.008 0.000 0.811 96 A CB 0.721 19.649 19.000 -0.119 0.000 1.072 96 A HN 0.341 nan 8.150 nan 0.000 0.495 97 V N 1.322 121.133 119.914 -0.173 0.000 2.340 97 V HA 0.295 4.421 4.120 0.011 0.000 0.277 97 V C -0.381 175.473 176.094 -0.400 0.000 1.017 97 V CA 0.147 62.257 62.300 -0.316 0.000 0.820 97 V CB 0.535 31.875 31.823 -0.806 0.000 1.028 97 V HN 0.689 nan 8.190 nan 0.000 0.436 98 L N 4.545 125.675 121.223 -0.156 0.000 3.186 98 L HA 0.302 4.649 4.340 0.011 0.000 0.292 98 L C 1.509 178.335 176.870 -0.073 0.000 1.303 98 L CA -0.216 54.435 54.840 -0.314 0.000 0.940 98 L CB 0.053 41.723 42.059 -0.647 0.000 1.358 98 L HN 0.868 nan 8.230 nan 0.000 0.581 99 H N -1.916 117.158 119.070 0.007 0.000 2.491 99 H HA -0.108 4.454 4.556 0.011 0.000 0.290 99 H C 1.954 177.221 175.328 -0.101 0.000 1.050 99 H CA 1.234 57.344 56.048 0.103 0.000 1.309 99 H CB -0.403 29.456 29.762 0.162 0.000 1.392 99 H HN 0.308 nan 8.280 nan 0.000 0.554 100 V N -1.319 118.289 119.914 -0.509 0.000 2.759 100 V HA -0.014 4.113 4.120 0.011 0.000 0.256 100 V C 2.486 178.431 176.094 -0.248 0.000 1.080 100 V CA 1.140 63.180 62.300 -0.434 0.000 1.101 100 V CB -0.946 30.403 31.823 -0.791 0.000 0.698 100 V HN 0.578 nan 8.190 nan 0.000 0.477 101 A N 0.807 123.487 122.820 -0.234 0.000 1.968 101 A HA 0.081 4.408 4.320 0.011 0.000 0.217 101 A C 2.181 179.766 177.584 0.002 0.000 1.169 101 A CA 1.684 53.621 52.037 -0.166 0.000 0.638 101 A CB -0.586 18.206 19.000 -0.346 0.000 0.812 101 A HN 0.570 nan 8.150 nan 0.000 0.446 102 L N -0.189 121.118 121.223 0.139 0.000 2.127 102 L HA -0.162 4.185 4.340 0.011 0.000 0.211 102 L C 2.297 179.246 176.870 0.131 0.000 1.089 102 L CA 1.571 56.563 54.840 0.254 0.000 0.757 102 L CB -0.376 41.923 42.059 0.400 0.000 0.899 102 L HN 0.544 nan 8.230 nan 0.000 0.434 103 R N -0.527 119.972 120.500 -0.003 0.000 2.586 103 R HA 0.091 4.438 4.340 0.011 0.000 0.336 103 R C 0.138 176.352 176.300 -0.144 0.000 1.060 103 R CA -0.197 55.860 56.100 -0.072 0.000 1.079 103 R CB -0.752 29.442 30.300 -0.176 0.000 1.317 103 R HN 0.040 nan 8.270 nan 0.000 0.568 104 N N 2.308 120.924 118.700 -0.139 0.000 2.819 104 N HA 0.021 4.768 4.740 0.011 0.000 0.284 104 N C 0.652 175.912 175.510 -0.416 0.000 1.196 104 N CA -0.155 52.737 53.050 -0.262 0.000 1.114 104 N CB 0.411 38.840 38.487 -0.095 0.000 1.437 104 N HN 0.099 nan 8.380 nan 0.000 0.518 105 R N 0.553 120.592 120.500 -0.769 0.000 2.159 105 R HA -0.056 4.291 4.340 0.011 0.000 0.237 105 R C 1.073 177.222 176.300 -0.252 0.000 1.131 105 R CA 0.850 56.700 56.100 -0.416 0.000 0.982 105 R CB -0.411 29.696 30.300 -0.322 0.000 0.868 105 R HN 0.411 nan 8.270 nan 0.000 0.453 106 S N 0.982 116.511 115.700 -0.285 0.000 2.481 106 S HA -0.022 4.455 4.470 0.011 0.000 0.231 106 S C 0.509 175.093 174.600 -0.026 0.000 0.996 106 S CA 0.121 58.309 58.200 -0.021 0.000 0.942 106 S CB -0.099 63.184 63.200 0.138 0.000 0.768 106 S HN 0.325 nan 8.310 nan 0.000 0.520 107 N N 1.114 119.775 118.700 -0.064 0.000 2.708 107 N HA -0.126 4.620 4.740 0.011 0.000 0.251 107 N C -0.682 174.811 175.510 -0.029 0.000 1.123 107 N CA 0.919 53.945 53.050 -0.040 0.000 0.739 107 N CB -1.956 36.519 38.487 -0.020 0.000 1.113 107 N HN 0.341 nan 8.380 nan 0.000 0.561 108 T N 2.139 116.682 114.554 -0.018 0.000 2.902 108 T HA 0.192 4.549 4.350 0.011 0.000 0.301 108 T C -2.073 172.601 174.700 -0.044 0.000 1.012 108 T CA -0.434 61.654 62.100 -0.020 0.000 1.151 108 T CB 0.890 69.755 68.868 -0.004 0.000 0.946 108 T HN 0.012 nan 8.240 nan 0.000 0.542 109 P HA 0.167 nan 4.420 nan 0.000 0.264 109 P C -0.607 176.635 177.300 -0.096 0.000 1.183 109 P CA 0.223 63.280 63.100 -0.072 0.000 0.763 109 P CB 0.271 31.935 31.700 -0.059 0.000 0.807 110 I N 3.031 123.517 120.570 -0.140 0.000 2.476 110 I HA 0.178 4.354 4.170 0.011 0.000 0.281 110 I C -0.570 175.416 176.117 -0.217 0.000 1.040 110 I CA -0.943 60.243 61.300 -0.190 0.000 1.094 110 I CB 1.766 39.607 38.000 -0.264 0.000 1.219 110 I HN -0.046 nan 8.210 nan 0.000 0.450 111 V N 7.108 126.918 119.914 -0.173 0.000 2.432 111 V HA 0.393 4.520 4.120 0.011 0.000 0.275 111 V C 0.069 176.060 176.094 -0.172 0.000 1.043 111 V CA -0.517 61.691 62.300 -0.154 0.000 0.925 111 V CB 1.715 33.477 31.823 -0.100 0.000 0.985 111 V HN 0.389 nan 8.190 nan 0.000 0.466 112 V N 3.765 123.577 119.914 -0.169 0.000 2.531 112 V HA 0.449 4.575 4.120 0.011 0.000 0.301 112 V C -0.224 175.835 176.094 -0.058 0.000 1.034 112 V CA -0.637 61.579 62.300 -0.141 0.000 0.865 112 V CB 1.558 33.251 31.823 -0.217 0.000 0.995 112 V HN 0.951 nan 8.190 nan 0.000 0.424 113 D N 3.902 124.285 120.400 -0.029 0.000 2.708 113 D HA -0.173 4.474 4.640 0.011 0.000 0.236 113 D C 1.272 177.566 176.300 -0.008 0.000 1.146 113 D CA 1.755 55.754 54.000 -0.001 0.000 0.662 113 D CB -1.107 39.711 40.800 0.029 0.000 1.059 113 D HN 1.520 nan 8.370 nan 0.000 0.428 114 G N -0.282 108.503 108.800 -0.024 0.000 2.198 114 G HA2 -0.362 3.604 3.960 0.011 0.000 0.260 114 G HA3 -0.362 3.604 3.960 0.011 0.000 0.260 114 G C 0.224 175.108 174.900 -0.026 0.000 1.025 114 G CA 0.920 46.006 45.100 -0.024 0.000 0.769 114 G HN 0.670 nan 8.290 nan 0.000 0.507 115 K N -0.044 120.333 120.400 -0.040 0.000 2.553 115 K HA 0.410 4.737 4.320 0.011 0.000 0.250 115 K C -1.092 175.464 176.600 -0.074 0.000 0.953 115 K CA -0.919 55.343 56.287 -0.040 0.000 0.800 115 K CB 1.278 33.768 32.500 -0.016 0.000 1.243 115 K HN 0.010 nan 8.250 nan 0.000 0.435 116 D N 3.154 123.510 120.400 -0.073 0.000 2.450 116 D HA -0.033 4.613 4.640 0.011 0.000 0.247 116 D C 1.096 177.324 176.300 -0.121 0.000 1.162 116 D CA 0.000 53.939 54.000 -0.102 0.000 0.879 116 D CB 1.375 42.130 40.800 -0.074 0.000 1.163 116 D HN 0.324 nan 8.370 nan 0.000 0.472 117 V N 2.243 122.038 119.914 -0.198 0.000 3.129 117 V HA -0.097 4.030 4.120 0.011 0.000 0.259 117 V C 2.003 177.984 176.094 -0.188 0.000 1.116 117 V CA 0.318 62.477 62.300 -0.235 0.000 1.127 117 V CB -0.461 31.093 31.823 -0.447 0.000 0.742 117 V HN 0.435 nan 8.190 nan 0.000 0.474 118 M N 0.765 120.281 119.600 -0.141 0.000 2.149 118 M HA -0.000 4.487 4.480 0.011 0.000 0.261 118 M C 0.206 176.495 176.300 -0.019 0.000 1.064 118 M CA 1.556 56.811 55.300 -0.075 0.000 1.102 118 M CB -2.625 29.937 32.600 -0.063 0.000 1.369 118 M HN 0.336 nan 8.290 nan 0.000 0.408 119 P HA -0.184 nan 4.420 nan 0.000 0.215 119 P C 1.263 178.603 177.300 0.067 0.000 1.153 119 P CA 1.505 64.621 63.100 0.026 0.000 0.853 119 P CB -0.258 31.453 31.700 0.018 0.000 0.788 120 E N -0.789 119.442 120.200 0.051 0.000 2.152 120 E HA -0.090 4.266 4.350 0.011 0.000 0.192 120 E C 1.756 178.511 176.600 0.259 0.000 0.983 120 E CA 0.934 57.432 56.400 0.162 0.000 0.818 120 E CB -1.120 28.671 29.700 0.150 0.000 0.758 120 E HN 0.007 nan 8.360 nan 0.000 0.467 121 V N 2.428 122.395 119.914 0.088 0.000 2.261 121 V HA -0.257 3.870 4.120 0.011 0.000 0.246 121 V C 2.025 178.300 176.094 0.302 0.000 1.047 121 V CA 2.066 64.515 62.300 0.248 0.000 1.015 121 V CB -0.653 31.253 31.823 0.139 0.000 0.642 121 V HN 0.356 nan 8.190 nan 0.000 0.446 122 N N 0.028 118.844 118.700 0.193 0.000 2.244 122 N HA -0.166 4.581 4.740 0.011 0.000 0.183 122 N C 1.835 177.462 175.510 0.195 0.000 1.016 122 N CA 1.214 54.374 53.050 0.185 0.000 0.866 122 N CB -0.278 38.280 38.487 0.119 0.000 0.980 122 N HN 0.524 nan 8.380 nan 0.000 0.430 123 K N 1.124 121.640 120.400 0.193 0.000 2.057 123 K HA -0.050 4.277 4.320 0.011 0.000 0.207 123 K C 1.775 178.501 176.600 0.209 0.000 1.049 123 K CA 0.882 57.273 56.287 0.174 0.000 0.931 123 K CB 0.096 32.696 32.500 0.165 0.000 0.714 123 K HN -0.118 nan 8.250 nan 0.000 0.440 124 V N 1.783 121.876 119.914 0.299 0.000 2.358 124 V HA -0.233 3.893 4.120 0.011 0.000 0.246 124 V C 2.323 178.621 176.094 0.340 0.000 1.047 124 V CA 1.452 63.943 62.300 0.318 0.000 1.035 124 V CB -0.342 31.715 31.823 0.390 0.000 0.658 124 V HN 0.319 nan 8.190 nan 0.000 0.452 125 L N -0.181 121.260 121.223 0.363 0.000 2.042 125 L HA -0.203 4.143 4.340 0.011 0.000 0.210 125 L C 2.428 179.428 176.870 0.216 0.000 1.076 125 L CA 1.666 56.765 54.840 0.431 0.000 0.749 125 L CB -0.765 41.578 42.059 0.474 0.000 0.893 125 L HN 0.351 nan 8.230 nan 0.000 0.432 126 D N -0.026 120.457 120.400 0.138 0.000 2.117 126 D HA -0.215 4.432 4.640 0.011 0.000 0.197 126 D C 2.083 178.396 176.300 0.023 0.000 0.987 126 D CA 1.173 55.183 54.000 0.017 0.000 0.829 126 D CB -0.091 40.742 40.800 0.054 0.000 0.961 126 D HN 0.249 nan 8.370 nan 0.000 0.460 127 K N 0.192 120.668 120.400 0.127 0.000 2.057 127 K HA -0.104 4.222 4.320 0.011 0.000 0.207 127 K C 2.196 179.010 176.600 0.357 0.000 1.049 127 K CA 0.876 57.274 56.287 0.185 0.000 0.931 127 K CB -0.030 32.549 32.500 0.132 0.000 0.714 127 K HN 0.063 nan 8.250 nan 0.000 0.440 128 M N 0.601 120.411 119.600 0.350 0.000 2.086 128 M HA -0.178 4.309 4.480 0.011 0.000 0.261 128 M C 2.361 178.690 176.300 0.047 0.000 1.067 128 M CA 1.706 57.161 55.300 0.258 0.000 1.116 128 M CB -0.247 32.521 32.600 0.280 0.000 1.348 128 M HN 0.076 nan 8.290 nan 0.000 0.407 129 K N 0.611 120.747 120.400 -0.440 0.000 2.032 129 K HA -0.160 4.167 4.320 0.011 0.000 0.209 129 K C 1.981 178.449 176.600 -0.220 0.000 1.048 129 K CA 1.583 57.394 56.287 -0.793 0.000 0.927 129 K CB -0.149 31.579 32.500 -1.286 0.000 0.712 129 K HN 0.278 nan 8.250 nan 0.000 0.441 130 A N 0.857 123.631 122.820 -0.075 0.000 1.865 130 A HA -0.199 4.127 4.320 0.011 0.000 0.217 130 A C 2.045 179.702 177.584 0.121 0.000 1.191 130 A CA 1.642 53.703 52.037 0.040 0.000 0.623 130 A CB -0.951 18.103 19.000 0.089 0.000 0.826 130 A HN 0.542 nan 8.150 nan 0.000 0.444 131 F N 0.549 120.541 119.950 0.069 0.000 2.102 131 F HA -0.235 4.299 4.527 0.011 0.000 0.298 131 F C 2.502 178.280 175.800 -0.037 0.000 1.105 131 F CA 1.561 59.603 58.000 0.069 0.000 1.239 131 F CB -0.811 38.294 39.000 0.175 0.000 0.991 131 F HN 0.312 nan 8.300 nan 0.000 0.474 132 C N 0.359 119.604 119.300 -0.091 0.000 2.413 132 C HA -0.206 4.260 4.460 0.011 0.000 0.276 132 C C 2.799 177.686 174.990 -0.172 0.000 1.236 132 C CA 1.184 60.091 59.018 -0.184 0.000 1.735 132 C CB -1.172 26.579 27.740 0.018 0.000 2.031 132 C HN 0.542 nan 8.230 nan 0.000 0.474 133 Q N 0.757 120.505 119.800 -0.087 0.000 2.096 133 Q HA -0.151 4.195 4.340 0.011 0.000 0.204 133 Q C 2.391 178.355 176.000 -0.060 0.000 0.982 133 Q CA 1.618 57.392 55.803 -0.049 0.000 0.850 133 Q CB -0.362 28.364 28.738 -0.020 0.000 0.901 133 Q HN 0.655 nan 8.270 nan 0.000 0.422 134 R N -0.783 119.674 120.500 -0.072 0.000 2.081 134 R HA -0.082 4.264 4.340 0.011 0.000 0.235 134 R C 2.420 178.688 176.300 -0.054 0.000 1.131 134 R CA 1.406 57.501 56.100 -0.008 0.000 0.960 134 R CB -0.303 30.067 30.300 0.117 0.000 0.856 134 R HN 0.089 nan 8.270 nan 0.000 0.436 135 V N 1.245 120.985 119.914 -0.290 0.000 2.270 135 V HA -0.230 3.896 4.120 0.011 0.000 0.245 135 V C 2.405 178.409 176.094 -0.151 0.000 1.043 135 V CA 1.661 63.770 62.300 -0.318 0.000 1.014 135 V CB -0.496 30.935 31.823 -0.654 0.000 0.645 135 V HN 0.292 nan 8.190 nan 0.000 0.447 136 R N 1.083 121.498 120.500 -0.142 0.000 2.091 136 R HA -0.137 4.210 4.340 0.011 0.000 0.238 136 R C 2.537 178.817 176.300 -0.034 0.000 1.136 136 R CA 1.829 57.886 56.100 -0.071 0.000 0.959 136 R CB -1.012 29.257 30.300 -0.051 0.000 0.856 136 R HN 0.704 nan 8.270 nan 0.000 0.437 137 S N -0.698 114.986 115.700 -0.026 0.000 2.474 137 S HA 0.006 4.482 4.470 0.011 0.000 0.235 137 S C 1.530 176.134 174.600 0.007 0.000 0.997 137 S CA 0.964 59.161 58.200 -0.004 0.000 0.949 137 S CB 0.124 63.325 63.200 0.003 0.000 0.766 137 S HN 0.563 nan 8.310 nan 0.000 0.517 138 G N 1.121 109.928 108.800 0.012 0.000 2.175 138 G HA2 -0.295 3.672 3.960 0.011 0.000 0.244 138 G HA3 -0.295 3.672 3.960 0.011 0.000 0.244 138 G C 0.484 175.412 174.900 0.046 0.000 0.982 138 G CA 0.515 45.634 45.100 0.030 0.000 0.641 138 G HN 0.550 nan 8.290 nan 0.000 0.527 139 D N -0.632 119.799 120.400 0.052 0.000 2.117 139 D HA -0.068 4.579 4.640 0.011 0.000 0.198 139 D C 1.026 177.374 176.300 0.080 0.000 0.982 139 D CA 0.645 54.677 54.000 0.054 0.000 0.828 139 D CB -0.092 40.742 40.800 0.056 0.000 0.967 139 D HN 0.412 nan 8.370 nan 0.000 0.464 140 W N 2.668 123.923 121.300 -0.075 0.000 2.419 140 W HA 0.201 4.867 4.660 0.011 0.000 0.312 140 W C -0.507 175.976 176.519 -0.060 0.000 1.323 140 W CA -0.301 57.000 57.345 -0.073 0.000 1.293 140 W CB 0.346 29.719 29.460 -0.145 0.000 1.324 140 W HN -0.147 nan 8.180 nan 0.000 0.512 141 K N 4.802 125.115 120.400 -0.146 0.000 2.208 141 K HA 0.593 4.920 4.320 0.011 0.000 0.247 141 K C 0.420 176.984 176.600 -0.060 0.000 0.953 141 K CA -0.735 55.529 56.287 -0.039 0.000 0.837 141 K CB 1.124 33.589 32.500 -0.059 0.000 1.131 141 K HN 0.521 nan 8.250 nan 0.000 0.431 142 G N 0.267 109.109 108.800 0.070 0.000 2.621 142 G HA2 0.086 4.053 3.960 0.011 0.000 0.271 142 G HA3 0.086 4.053 3.960 0.011 0.000 0.271 142 G C 0.602 175.671 174.900 0.281 0.000 1.236 142 G CA -0.387 44.819 45.100 0.176 0.000 0.958 142 G HN 0.750 nan 8.290 nan 0.000 0.512 143 Y N -1.917 118.728 120.300 0.575 0.000 2.556 143 Y HA -0.031 4.526 4.550 0.011 0.000 0.290 143 Y C 2.092 178.095 175.900 0.171 0.000 1.149 143 Y CA 1.384 59.678 58.100 0.324 0.000 1.329 143 Y CB -0.405 38.282 38.460 0.379 0.000 0.975 143 Y HN 0.340 nan 8.280 nan 0.000 0.561 144 T N -3.833 110.511 114.554 -0.350 0.000 3.092 144 T HA 0.495 4.852 4.350 0.011 0.000 0.258 144 T C 1.407 176.036 174.700 -0.118 0.000 1.031 144 T CA 0.083 62.000 62.100 -0.306 0.000 0.925 144 T CB -0.024 68.565 68.868 -0.465 0.000 1.036 144 T HN 0.839 nan 8.240 nan 0.000 0.544 145 G N 1.494 110.263 108.800 -0.052 0.000 2.143 145 G HA2 -0.225 3.741 3.960 0.011 0.000 0.249 145 G HA3 -0.225 3.741 3.960 0.011 0.000 0.249 145 G C -0.120 174.772 174.900 -0.013 0.000 0.981 145 G CA 0.020 45.104 45.100 -0.028 0.000 0.665 145 G HN 0.660 nan 8.290 nan 0.000 0.528 146 K N 0.922 121.322 120.400 -0.001 0.000 2.098 146 K HA 0.580 4.906 4.320 0.011 0.000 0.258 146 K C 1.023 177.658 176.600 0.059 0.000 0.973 146 K CA -0.006 56.294 56.287 0.022 0.000 0.898 146 K CB 1.060 33.571 32.500 0.019 0.000 1.057 146 K HN 0.304 nan 8.250 nan 0.000 0.447 147 T N -1.257 113.330 114.554 0.055 0.000 2.860 147 T HA 0.241 4.597 4.350 0.011 0.000 0.299 147 T C 0.588 175.338 174.700 0.083 0.000 1.045 147 T CA -0.783 61.359 62.100 0.070 0.000 1.071 147 T CB 0.391 69.286 68.868 0.045 0.000 0.985 147 T HN 0.207 nan 8.240 nan 0.000 0.537 148 I N 3.149 123.767 120.570 0.079 0.000 2.396 148 I HA 0.161 4.338 4.170 0.011 0.000 0.289 148 I C 1.739 177.874 176.117 0.029 0.000 1.056 148 I CA -0.106 61.226 61.300 0.054 0.000 1.365 148 I CB 0.552 38.548 38.000 -0.006 0.000 1.407 148 I HN 1.090 nan 8.210 nan 0.000 0.509 149 T N 0.911 115.492 114.554 0.045 0.000 2.990 149 T HA 0.222 4.578 4.350 0.011 0.000 0.249 149 T C 0.238 174.977 174.700 0.066 0.000 1.039 149 T CA -0.097 62.035 62.100 0.053 0.000 1.036 149 T CB 0.119 69.029 68.868 0.071 0.000 0.994 149 T HN 0.463 nan 8.240 nan 0.000 0.489 150 D N 0.368 120.791 120.400 0.038 0.000 2.780 150 D HA 0.619 5.265 4.640 0.011 0.000 0.242 150 D C -1.521 174.722 176.300 -0.094 0.000 1.135 150 D CA -0.509 53.522 54.000 0.051 0.000 0.859 150 D CB 2.729 43.553 40.800 0.040 0.000 1.530 150 D HN 0.024 nan 8.370 nan 0.000 0.493 151 V N 2.640 122.509 119.914 -0.075 0.000 2.448 151 V HA 0.493 4.620 4.120 0.011 0.000 0.295 151 V C -0.685 175.250 176.094 -0.265 0.000 1.025 151 V CA -0.675 61.494 62.300 -0.217 0.000 0.859 151 V CB 1.314 33.022 31.823 -0.191 0.000 0.988 151 V HN 0.432 nan 8.190 nan 0.000 0.431 152 I N 4.639 124.945 120.570 -0.440 0.000 2.382 152 I HA 0.361 4.537 4.170 0.011 0.000 0.285 152 I C 0.198 176.140 176.117 -0.291 0.000 1.007 152 I CA -0.087 60.971 61.300 -0.403 0.000 1.142 152 I CB 1.356 39.015 38.000 -0.568 0.000 1.289 152 I HN 0.526 nan 8.210 nan 0.000 0.453 153 N N 7.444 125.920 118.700 -0.374 0.000 2.444 153 N HA 0.414 5.160 4.740 0.011 0.000 0.271 153 N C -1.075 174.387 175.510 -0.080 0.000 1.069 153 N CA -0.195 52.717 53.050 -0.229 0.000 0.965 153 N CB 0.990 39.305 38.487 -0.287 0.000 1.092 153 N HN 0.508 nan 8.380 nan 0.000 0.476 154 I N 2.653 123.216 120.570 -0.011 0.000 2.382 154 I HA 0.484 4.660 4.170 0.011 0.000 0.286 154 I C 0.546 176.664 176.117 0.001 0.000 1.002 154 I CA -0.546 60.756 61.300 0.004 0.000 1.135 154 I CB 1.672 39.683 38.000 0.018 0.000 1.288 154 I HN 0.564 nan 8.210 nan 0.000 0.448 155 G N 5.852 114.661 108.800 0.016 0.000 2.466 155 G HA2 0.592 4.558 3.960 0.011 0.000 0.291 155 G HA3 0.592 4.558 3.960 0.011 0.000 0.291 155 G C -2.144 172.770 174.900 0.023 0.000 1.460 155 G CA -0.456 44.650 45.100 0.011 0.000 0.791 155 G HN 0.461 nan 8.290 nan 0.000 0.505 156 I N -0.349 120.226 120.570 0.009 0.000 2.934 156 I HA 0.703 4.880 4.170 0.011 0.000 0.306 156 I C 1.110 177.219 176.117 -0.013 0.000 1.110 156 I CA 0.857 62.162 61.300 0.008 0.000 1.019 156 I CB 2.035 40.038 38.000 0.005 0.000 1.227 156 I HN 1.878 nan 8.210 nan 0.000 0.434 157 G N 3.386 112.169 108.800 -0.029 0.000 2.622 157 G HA2 -0.335 3.632 3.960 0.011 0.000 0.307 157 G HA3 -0.335 3.632 3.960 0.011 0.000 0.307 157 G C 0.909 175.760 174.900 -0.082 0.000 1.226 157 G CA 0.438 45.501 45.100 -0.061 0.000 0.997 157 G HN 1.335 nan 8.290 nan 0.000 0.551 158 G N -0.656 108.093 108.800 -0.086 0.000 2.498 158 G HA2 0.130 4.096 3.960 0.011 0.000 0.219 158 G HA3 0.130 4.096 3.960 0.011 0.000 0.219 158 G C 1.759 176.613 174.900 -0.076 0.000 1.119 158 G CA 1.859 46.901 45.100 -0.097 0.000 0.766 158 G HN 1.160 nan 8.290 nan 0.000 0.552 159 S N -0.525 115.146 115.700 -0.048 0.000 2.631 159 S HA 0.140 4.616 4.470 0.011 0.000 0.217 159 S C 1.205 175.794 174.600 -0.020 0.000 0.958 159 S CA 0.818 58.991 58.200 -0.045 0.000 0.920 159 S CB 0.195 63.390 63.200 -0.007 0.000 0.776 159 S HN 0.669 nan 8.310 nan 0.000 0.517 160 D N 0.244 120.624 120.400 -0.033 0.000 2.954 160 D HA 0.192 4.838 4.640 0.011 0.000 0.266 160 D C 1.577 177.796 176.300 -0.135 0.000 1.277 160 D CA -0.224 53.766 54.000 -0.018 0.000 1.130 160 D CB -0.494 40.317 40.800 0.018 0.000 1.440 160 D HN 0.111 nan 8.370 nan 0.000 0.427 161 L N 0.699 121.851 121.223 -0.119 0.000 2.043 161 L HA -0.014 4.333 4.340 0.011 0.000 0.212 161 L C 2.349 179.147 176.870 -0.120 0.000 1.075 161 L CA 1.886 56.651 54.840 -0.125 0.000 0.752 161 L CB -0.611 41.395 42.059 -0.088 0.000 0.891 161 L HN 0.332 nan 8.230 nan 0.000 0.432 162 G N -0.035 108.732 108.800 -0.055 0.000 2.453 162 G HA2 -0.210 3.757 3.960 0.011 0.000 0.215 162 G HA3 -0.210 3.757 3.960 0.011 0.000 0.215 162 G C -0.802 173.869 174.900 -0.383 0.000 1.201 162 G CA 0.662 45.615 45.100 -0.246 0.000 0.784 162 G HN 0.320 nan 8.290 nan 0.000 0.545 163 P HA -0.070 nan 4.420 nan 0.000 0.215 163 P C 2.082 179.041 177.300 -0.568 0.000 1.153 163 P CA 0.595 63.538 63.100 -0.262 0.000 0.853 163 P CB -0.089 31.610 31.700 -0.002 0.000 0.788 164 L N -1.550 119.075 121.223 -0.997 0.000 2.005 164 L HA -0.152 4.195 4.340 0.011 0.000 0.207 164 L C 2.303 178.821 176.870 -0.587 0.000 1.072 164 L CA 1.723 55.797 54.840 -1.277 0.000 0.744 164 L CB -0.604 40.840 42.059 -1.025 0.000 0.895 164 L HN -0.044 nan 8.230 nan 0.000 0.433 165 M N -0.662 118.675 119.600 -0.439 0.000 2.117 165 M HA -0.161 4.325 4.480 0.011 0.000 0.262 165 M C 2.107 178.259 176.300 -0.247 0.000 1.065 165 M CA 1.917 57.026 55.300 -0.317 0.000 1.114 165 M CB -0.495 31.909 32.600 -0.327 0.000 1.361 165 M HN 0.225 nan 8.290 nan 0.000 0.408 166 V N 0.636 120.372 119.914 -0.297 0.000 2.379 166 V HA -0.226 3.901 4.120 0.011 0.000 0.245 166 V C 2.603 178.641 176.094 -0.094 0.000 1.044 166 V CA 2.194 64.372 62.300 -0.203 0.000 1.036 166 V CB -1.524 30.149 31.823 -0.251 0.000 0.664 166 V HN 0.666 nan 8.190 nan 0.000 0.453 167 T N -2.229 112.276 114.554 -0.081 0.000 2.833 167 T HA -0.184 4.173 4.350 0.011 0.000 0.269 167 T C 1.715 176.455 174.700 0.067 0.000 1.054 167 T CA 1.295 63.430 62.100 0.058 0.000 1.135 167 T CB -0.268 68.633 68.868 0.056 0.000 0.869 167 T HN 0.395 nan 8.240 nan 0.000 0.466 168 E N 1.695 121.895 120.200 0.000 0.000 2.072 168 E HA 0.077 4.433 4.350 0.011 0.000 0.191 168 E C 2.603 179.281 176.600 0.130 0.000 0.985 168 E CA 1.283 57.746 56.400 0.106 0.000 0.801 168 E CB -0.642 29.109 29.700 0.084 0.000 0.750 168 E HN 0.695 nan 8.360 nan 0.000 0.452 169 A N 0.632 123.485 122.820 0.054 0.000 2.014 169 A HA -0.042 4.284 4.320 0.011 0.000 0.218 169 A C 1.935 179.466 177.584 -0.089 0.000 1.163 169 A CA 0.729 52.798 52.037 0.054 0.000 0.652 169 A CB -0.216 18.808 19.000 0.040 0.000 0.808 169 A HN 0.166 nan 8.150 nan 0.000 0.449 170 L N -0.772 120.412 121.223 -0.064 0.000 2.872 170 L HA 0.132 4.478 4.340 0.011 0.000 0.245 170 L C 1.314 178.172 176.870 -0.021 0.000 1.211 170 L CA -0.399 54.443 54.840 0.004 0.000 1.013 170 L CB 0.093 42.165 42.059 0.022 0.000 1.326 170 L HN 0.076 nan 8.230 nan 0.000 0.525 171 K N 0.987 121.259 120.400 -0.213 0.000 2.089 171 K HA -0.168 4.158 4.320 0.011 0.000 0.210 171 K C -0.435 176.052 176.600 -0.189 0.000 1.048 171 K CA 1.635 57.841 56.287 -0.135 0.000 0.926 171 K CB -1.308 31.148 32.500 -0.073 0.000 0.714 171 K HN 0.274 nan 8.250 nan 0.000 0.448 172 P HA -0.119 nan 4.420 nan 0.000 0.223 172 P C 0.444 177.438 177.300 -0.511 0.000 1.144 172 P CA 1.125 63.991 63.100 -0.389 0.000 0.783 172 P CB -0.091 31.285 31.700 -0.540 0.000 0.771 173 Y N -1.504 118.696 120.300 -0.166 0.000 2.571 173 Y HA 0.154 4.711 4.550 0.011 0.000 0.275 173 Y C 1.649 177.441 175.900 -0.180 0.000 1.179 173 Y CA 0.023 58.041 58.100 -0.136 0.000 1.242 173 Y CB -0.490 37.908 38.460 -0.104 0.000 1.126 173 Y HN 0.008 nan 8.280 nan 0.000 0.524 174 S N -1.415 114.175 115.700 -0.183 0.000 2.572 174 S HA 0.071 4.547 4.470 0.011 0.000 0.228 174 S C 0.584 175.036 174.600 -0.247 0.000 0.963 174 S CA -0.374 57.600 58.200 -0.376 0.000 0.939 174 S CB -0.653 61.979 63.200 -0.947 0.000 0.804 174 S HN 0.234 nan 8.310 nan 0.000 0.480 175 S N 0.982 116.595 115.700 -0.145 0.000 2.546 175 S HA 0.481 4.957 4.470 0.011 0.000 0.290 175 S C 1.351 175.909 174.600 -0.069 0.000 1.290 175 S CA 0.201 58.345 58.200 -0.093 0.000 1.069 175 S CB 0.144 63.299 63.200 -0.074 0.000 0.846 175 S HN 1.614 nan 8.310 nan 0.000 0.495 176 G N 2.043 110.813 108.800 -0.050 0.000 2.159 176 G HA2 -0.066 3.901 3.960 0.011 0.000 0.256 176 G HA3 -0.066 3.901 3.960 0.011 0.000 0.256 176 G C 0.387 175.267 174.900 -0.033 0.000 0.977 176 G CA -0.093 44.989 45.100 -0.031 0.000 0.652 176 G HN 1.456 nan 8.290 nan 0.000 0.531 177 G N 0.058 108.825 108.800 -0.054 0.000 2.441 177 G HA2 0.799 4.765 3.960 0.011 0.000 0.334 177 G HA3 0.799 4.765 3.960 0.011 0.000 0.334 177 G C -1.816 173.097 174.900 0.022 0.000 1.161 177 G CA -0.748 44.332 45.100 -0.034 0.000 0.935 177 G HN 0.255 nan 8.290 nan 0.000 0.488 178 P HA 0.245 nan 4.420 nan 0.000 0.274 178 P C -0.312 177.056 177.300 0.114 0.000 1.246 178 P CA -0.489 62.643 63.100 0.054 0.000 0.795 178 P CB 1.320 33.023 31.700 0.006 0.000 1.006 179 R N 0.090 120.639 120.500 0.082 0.000 2.590 179 R HA 0.291 4.638 4.340 0.011 0.000 0.274 179 R C 0.070 176.316 176.300 -0.089 0.000 1.061 179 R CA -0.403 55.702 56.100 0.007 0.000 1.081 179 R CB 0.254 30.566 30.300 0.020 0.000 0.984 179 R HN 0.365 nan 8.270 nan 0.000 0.448 180 V N -0.130 119.569 119.914 -0.357 0.000 2.513 180 V HA 0.637 4.763 4.120 0.011 0.000 0.299 180 V C -1.036 174.721 176.094 -0.562 0.000 1.035 180 V CA -1.095 60.947 62.300 -0.428 0.000 0.889 180 V CB 1.207 32.691 31.823 -0.566 0.000 0.988 180 V HN 0.659 nan 8.190 nan 0.000 0.440 181 W N 2.714 123.662 121.300 -0.586 0.000 2.864 181 W HA 0.835 5.501 4.660 0.010 0.000 0.343 181 W C -1.163 174.893 176.519 -0.772 0.000 1.109 181 W CA -0.899 56.177 57.345 -0.449 0.000 1.192 181 W CB 1.920 31.195 29.460 -0.308 0.000 1.426 181 W HN 0.499 nan 8.180 nan 0.000 0.529 182 F N 1.781 121.777 119.950 0.078 0.000 2.507 182 F HA 0.587 5.121 4.527 0.011 0.000 0.328 182 F C -0.364 175.347 175.800 -0.148 0.000 1.136 182 F CA -1.184 56.802 58.000 -0.024 0.000 0.930 182 F CB 1.351 40.335 39.000 -0.027 0.000 1.166 182 F HN -0.180 nan 8.300 nan 0.000 0.436 183 V N 2.797 122.650 119.914 -0.102 0.000 2.448 183 V HA 0.450 4.577 4.120 0.011 0.000 0.295 183 V C 0.046 176.061 176.094 -0.131 0.000 1.025 183 V CA -0.102 61.955 62.300 -0.404 0.000 0.859 183 V CB 1.507 33.174 31.823 -0.259 0.000 0.988 183 V HN 0.946 nan 8.190 nan 0.000 0.431 184 S N 2.679 118.383 115.700 0.007 0.000 3.084 184 S HA 0.156 4.633 4.470 0.011 0.000 0.262 184 S C 0.650 175.374 174.600 0.206 0.000 1.081 184 S CA -0.218 58.079 58.200 0.162 0.000 0.855 184 S CB -0.087 63.224 63.200 0.185 0.000 0.857 184 S HN 0.544 nan 8.310 nan 0.000 0.449 185 N N 1.662 120.600 118.700 0.397 0.000 2.492 185 N HA 0.183 4.929 4.740 0.011 0.000 0.260 185 N C 0.706 176.298 175.510 0.137 0.000 1.215 185 N CA -0.090 53.068 53.050 0.181 0.000 0.923 185 N CB 0.957 39.480 38.487 0.060 0.000 1.092 185 N HN 0.303 nan 8.380 nan 0.000 0.448 186 I N 1.811 122.421 120.570 0.067 0.000 2.546 186 I HA -0.084 4.092 4.170 0.011 0.000 0.255 186 I C 0.300 176.446 176.117 0.048 0.000 1.163 186 I CA 0.547 61.874 61.300 0.045 0.000 1.457 186 I CB -0.583 37.431 38.000 0.023 0.000 1.092 186 I HN 0.548 nan 8.210 nan 0.000 0.434 187 D N 0.777 121.204 120.400 0.046 0.000 2.554 187 D HA -0.050 4.596 4.640 0.011 0.000 0.251 187 D C 1.645 177.981 176.300 0.059 0.000 1.213 187 D CA 0.898 54.919 54.000 0.037 0.000 0.900 187 D CB 0.678 41.486 40.800 0.014 0.000 1.135 187 D HN 0.362 nan 8.370 nan 0.000 0.522 188 G N 3.408 112.234 108.800 0.043 0.000 2.517 188 G HA2 -0.333 3.634 3.960 0.011 0.000 0.222 188 G HA3 -0.333 3.634 3.960 0.011 0.000 0.222 188 G C 1.493 176.425 174.900 0.054 0.000 1.109 188 G CA 1.234 46.359 45.100 0.042 0.000 0.746 188 G HN 0.587 nan 8.290 nan 0.000 0.576 189 T N -0.643 113.945 114.554 0.057 0.000 2.759 189 T HA -0.141 4.216 4.350 0.011 0.000 0.269 189 T C 1.875 176.647 174.700 0.121 0.000 1.042 189 T CA 1.423 63.561 62.100 0.064 0.000 1.140 189 T CB -0.349 68.544 68.868 0.041 0.000 0.864 189 T HN 0.612 nan 8.240 nan 0.000 0.455 190 H N -0.473 118.606 119.070 0.015 0.000 2.270 190 H HA -0.068 4.495 4.556 0.012 0.000 0.299 190 H C 2.366 177.696 175.328 0.004 0.000 1.077 190 H CA 1.338 57.401 56.048 0.025 0.000 1.294 190 H CB -0.079 29.702 29.762 0.031 0.000 1.371 190 H HN 0.192 nan 8.280 nan 0.000 0.491 191 I N 0.814 121.417 120.570 0.056 0.000 2.394 191 I HA -0.137 4.039 4.170 0.011 0.000 0.251 191 I C 2.402 178.455 176.117 -0.107 0.000 1.136 191 I CA 1.297 62.554 61.300 -0.072 0.000 1.425 191 I CB -0.488 37.471 38.000 -0.067 0.000 1.079 191 I HN 0.317 nan 8.210 nan 0.000 0.425 192 A N 0.285 123.079 122.820 -0.044 0.000 1.877 192 A HA -0.176 4.151 4.320 0.011 0.000 0.216 192 A C 2.223 179.772 177.584 -0.059 0.000 1.186 192 A CA 1.493 53.497 52.037 -0.055 0.000 0.620 192 A CB -0.519 18.480 19.000 -0.002 0.000 0.822 192 A HN 0.303 nan 8.150 nan 0.000 0.443 193 K N -0.411 119.986 120.400 -0.004 0.000 2.288 193 K HA -0.029 4.298 4.320 0.011 0.000 0.201 193 K C 1.927 178.508 176.600 -0.031 0.000 1.048 193 K CA 1.483 57.781 56.287 0.018 0.000 0.956 193 K CB -0.696 31.855 32.500 0.084 0.000 0.746 193 K HN 0.523 nan 8.250 nan 0.000 0.461 194 T N 1.752 116.247 114.554 -0.099 0.000 2.770 194 T HA -0.042 4.314 4.350 0.011 0.000 0.258 194 T C 1.769 176.167 174.700 -0.503 0.000 1.039 194 T CA 0.517 62.453 62.100 -0.273 0.000 1.143 194 T CB -0.100 68.626 68.868 -0.236 0.000 0.866 194 T HN -0.050 nan 8.240 nan 0.000 0.428 195 L N 1.504 122.435 121.223 -0.486 0.000 2.187 195 L HA 0.061 4.408 4.340 0.011 0.000 0.213 195 L C 2.650 179.293 176.870 -0.378 0.000 1.100 195 L CA 1.107 55.503 54.840 -0.739 0.000 0.765 195 L CB -1.162 40.271 42.059 -1.043 0.000 0.904 195 L HN 0.253 nan 8.230 nan 0.000 0.437 196 A N -2.182 120.522 122.820 -0.193 0.000 2.121 196 A HA -0.160 4.166 4.320 0.011 0.000 0.218 196 A C 2.006 179.579 177.584 -0.019 0.000 1.154 196 A CA 1.445 53.465 52.037 -0.028 0.000 0.679 196 A CB -0.812 18.188 19.000 -0.000 0.000 0.795 196 A HN 0.543 nan 8.150 nan 0.000 0.458 197 C N -0.554 118.663 119.300 -0.139 0.000 2.884 197 C HA 0.554 5.020 4.460 0.011 0.000 0.287 197 C C 0.490 175.390 174.990 -0.151 0.000 1.310 197 C CA -0.737 58.221 59.018 -0.100 0.000 1.725 197 C CB -1.904 25.791 27.740 -0.075 0.000 2.060 197 C HN 0.430 nan 8.230 nan 0.000 0.618 198 L N 1.277 122.422 121.223 -0.131 0.000 2.333 198 L HA 0.509 4.855 4.340 0.011 0.000 0.269 198 L C -0.316 176.717 176.870 0.271 0.000 1.010 198 L CA -0.300 54.522 54.840 -0.030 0.000 0.818 198 L CB 0.948 42.883 42.059 -0.207 0.000 1.306 198 L HN 0.054 nan 8.230 nan 0.000 0.430 199 N N 2.316 121.156 118.700 0.233 0.000 2.444 199 N HA 0.280 5.027 4.740 0.011 0.000 0.262 199 N C -1.938 173.750 175.510 0.297 0.000 0.974 199 N CA -2.074 51.109 53.050 0.223 0.000 0.933 199 N CB 2.161 40.726 38.487 0.130 0.000 1.137 199 N HN 0.284 nan 8.380 nan 0.000 0.498 200 P HA -0.163 nan 4.420 nan 0.000 0.219 200 P C 0.439 177.941 177.300 0.336 0.000 1.146 200 P CA 1.358 64.617 63.100 0.265 0.000 0.808 200 P CB 0.295 31.864 31.700 -0.218 0.000 0.779 201 E N 0.280 120.619 120.200 0.233 0.000 2.482 201 E HA -0.008 4.349 4.350 0.011 0.000 0.196 201 E C 1.062 177.859 176.600 0.329 0.000 1.047 201 E CA 0.757 57.279 56.400 0.202 0.000 0.869 201 E CB -0.349 29.270 29.700 -0.136 0.000 0.836 201 E HN 0.284 nan 8.360 nan 0.000 0.520 202 S N -0.367 115.499 115.700 0.278 0.000 2.846 202 S HA 0.268 4.745 4.470 0.011 0.000 0.249 202 S C -0.107 174.602 174.600 0.181 0.000 1.028 202 S CA -0.753 57.578 58.200 0.220 0.000 1.043 202 S CB 0.735 64.011 63.200 0.127 0.000 0.990 202 S HN -0.001 nan 8.310 nan 0.000 0.564 203 S N 2.015 117.862 115.700 0.245 0.000 2.454 203 S HA 0.711 5.188 4.470 0.011 0.000 0.306 203 S C -1.066 173.527 174.600 -0.010 0.000 1.100 203 S CA -0.611 57.597 58.200 0.014 0.000 1.087 203 S CB 1.579 64.739 63.200 -0.067 0.000 1.019 203 S HN 0.511 nan 8.310 nan 0.000 0.480 204 L N 3.899 124.962 121.223 -0.267 0.000 2.325 204 L HA 0.665 5.012 4.340 0.011 0.000 0.281 204 L C -1.729 174.837 176.870 -0.507 0.000 1.004 204 L CA -0.336 54.351 54.840 -0.256 0.000 0.823 204 L CB 0.287 42.234 42.059 -0.187 0.000 1.236 204 L HN 0.505 nan 8.230 nan 0.000 0.415 205 F N 5.686 125.384 119.950 -0.421 0.000 2.408 205 F HA 0.531 5.064 4.527 0.011 0.000 0.344 205 F C 0.192 175.856 175.800 -0.226 0.000 1.112 205 F CA -0.361 57.381 58.000 -0.430 0.000 1.096 205 F CB 1.254 39.773 39.000 -0.801 0.000 1.129 205 F HN 0.256 nan 8.300 nan 0.000 0.486 206 I N 5.271 125.838 120.570 -0.005 0.000 2.354 206 I HA 0.267 4.444 4.170 0.011 0.000 0.286 206 I C -0.808 175.338 176.117 0.048 0.000 1.007 206 I CA -0.610 60.686 61.300 -0.007 0.000 1.167 206 I CB 1.022 38.961 38.000 -0.102 0.000 1.320 206 I HN 0.305 nan 8.210 nan 0.000 0.458 207 I N 6.057 126.693 120.570 0.110 0.000 2.291 207 I HA 0.313 4.490 4.170 0.011 0.000 0.290 207 I C 0.693 176.890 176.117 0.133 0.000 1.050 207 I CA -0.424 60.929 61.300 0.088 0.000 1.245 207 I CB 0.822 38.865 38.000 0.072 0.000 1.405 207 I HN 0.510 nan 8.210 nan 0.000 0.478 208 A N 5.014 127.870 122.820 0.060 0.000 2.294 208 A HA 0.606 4.932 4.320 0.011 0.000 0.316 208 A C 0.249 177.895 177.584 0.103 0.000 1.359 208 A CA -0.252 51.835 52.037 0.083 0.000 0.956 208 A CB 0.443 19.451 19.000 0.012 0.000 1.155 208 A HN 0.666 nan 8.150 nan 0.000 0.544 209 S N 2.388 118.221 115.700 0.223 0.000 2.584 209 S HA 0.247 4.724 4.470 0.011 0.000 0.282 209 S C 0.595 175.349 174.600 0.257 0.000 1.138 209 S CA -0.624 57.692 58.200 0.193 0.000 0.987 209 S CB 0.536 63.744 63.200 0.013 0.000 1.137 209 S HN 0.693 nan 8.310 nan 0.000 0.457 210 K N 1.709 122.227 120.400 0.196 0.000 1.988 210 K HA -0.156 4.171 4.320 0.011 0.000 0.221 210 K C 2.124 178.682 176.600 -0.069 0.000 1.053 210 K CA 2.435 58.655 56.287 -0.112 0.000 0.959 210 K CB -0.627 31.767 32.500 -0.177 0.000 0.728 210 K HN 0.856 nan 8.250 nan 0.000 0.447 211 T N -2.249 112.305 114.554 0.001 0.000 3.023 211 T HA -0.110 4.246 4.350 0.011 0.000 0.266 211 T C 0.926 175.722 174.700 0.159 0.000 1.093 211 T CA 0.556 62.675 62.100 0.032 0.000 1.129 211 T CB -0.255 68.625 68.868 0.020 0.000 0.899 211 T HN 0.308 nan 8.240 nan 0.000 0.491 212 F N 1.871 121.790 119.950 -0.053 0.000 3.018 212 F HA -0.262 4.272 4.527 0.012 0.000 0.287 212 F C 1.029 176.808 175.800 -0.035 0.000 0.813 212 F CA 0.951 58.918 58.000 -0.054 0.000 1.209 212 F CB -1.775 37.185 39.000 -0.067 0.000 1.321 212 F HN 0.530 nan 8.300 nan 0.000 0.477 213 T N -4.547 110.004 114.554 -0.004 0.000 3.058 213 T HA 0.213 4.569 4.350 0.011 0.000 0.278 213 T C 0.625 175.297 174.700 -0.048 0.000 0.974 213 T CA 0.569 62.658 62.100 -0.019 0.000 0.893 213 T CB 0.019 68.901 68.868 0.023 0.000 1.138 213 T HN 0.159 nan 8.240 nan 0.000 0.529 214 T N 3.248 117.762 114.554 -0.068 0.000 2.822 214 T HA 0.028 4.385 4.350 0.011 0.000 0.288 214 T C 1.252 175.911 174.700 -0.069 0.000 0.991 214 T CA 0.141 62.208 62.100 -0.055 0.000 1.176 214 T CB 1.183 70.017 68.868 -0.056 0.000 0.951 214 T HN 0.430 nan 8.240 nan 0.000 0.526 215 Q N 2.834 122.612 119.800 -0.038 0.000 2.014 215 Q HA -0.234 4.113 4.340 0.011 0.000 0.207 215 Q C 1.892 177.870 176.000 -0.037 0.000 0.993 215 Q CA 2.065 57.849 55.803 -0.032 0.000 0.850 215 Q CB 0.017 28.749 28.738 -0.011 0.000 0.916 215 Q HN 0.778 nan 8.270 nan 0.000 0.417 216 E N -0.625 119.558 120.200 -0.028 0.000 2.051 216 E HA -0.161 4.196 4.350 0.011 0.000 0.192 216 E C 2.046 178.622 176.600 -0.040 0.000 0.991 216 E CA 1.950 58.338 56.400 -0.020 0.000 0.799 216 E CB -0.124 29.573 29.700 -0.004 0.000 0.748 216 E HN 0.363 nan 8.360 nan 0.000 0.449 217 T N 1.096 115.610 114.554 -0.067 0.000 2.708 217 T HA -0.110 4.247 4.350 0.011 0.000 0.266 217 T C 1.747 176.343 174.700 -0.174 0.000 1.037 217 T CA 0.884 62.919 62.100 -0.109 0.000 1.146 217 T CB -0.093 68.697 68.868 -0.130 0.000 0.865 217 T HN 0.043 nan 8.240 nan 0.000 0.435 218 I N 1.717 122.161 120.570 -0.210 0.000 2.315 218 I HA -0.098 4.078 4.170 0.011 0.000 0.248 218 I C 2.593 178.657 176.117 -0.088 0.000 1.117 218 I CA 1.359 62.515 61.300 -0.240 0.000 1.404 218 I CB -1.835 36.031 38.000 -0.223 0.000 1.071 218 I HN 0.260 nan 8.210 nan 0.000 0.419 219 T N 1.347 115.870 114.554 -0.052 0.000 2.746 219 T HA -0.127 4.230 4.350 0.011 0.000 0.267 219 T C 1.791 176.490 174.700 -0.001 0.000 1.039 219 T CA 1.289 63.382 62.100 -0.011 0.000 1.142 219 T CB -0.205 68.659 68.868 -0.007 0.000 0.866 219 T HN 0.263 nan 8.240 nan 0.000 0.444 220 N N 1.266 119.955 118.700 -0.018 0.000 2.120 220 N HA -0.012 4.735 4.740 0.011 0.000 0.188 220 N C 2.133 177.644 175.510 0.001 0.000 1.024 220 N CA 1.306 54.348 53.050 -0.013 0.000 0.852 220 N CB -0.490 37.983 38.487 -0.022 0.000 1.003 220 N HN 0.420 nan 8.380 nan 0.000 0.424 221 A N 1.593 124.408 122.820 -0.008 0.000 1.877 221 A HA -0.144 4.183 4.320 0.011 0.000 0.216 221 A C 2.156 179.897 177.584 0.262 0.000 1.186 221 A CA 1.380 53.456 52.037 0.064 0.000 0.620 221 A CB -0.357 18.517 19.000 -0.210 0.000 0.822 221 A HN 0.260 nan 8.150 nan 0.000 0.443 222 K N -0.964 119.568 120.400 0.220 0.000 2.057 222 K HA -0.097 4.229 4.320 0.011 0.000 0.207 222 K C 2.092 178.734 176.600 0.071 0.000 1.049 222 K CA 1.707 58.090 56.287 0.161 0.000 0.931 222 K CB -0.441 32.118 32.500 0.098 0.000 0.714 222 K HN 0.455 nan 8.250 nan 0.000 0.440 223 T N 1.095 115.685 114.554 0.060 0.000 2.746 223 T HA -0.131 4.226 4.350 0.011 0.000 0.267 223 T C 1.978 176.726 174.700 0.080 0.000 1.039 223 T CA 1.373 63.504 62.100 0.052 0.000 1.142 223 T CB -0.197 68.686 68.868 0.025 0.000 0.866 223 T HN 0.335 nan 8.240 nan 0.000 0.444 224 A N 1.336 124.177 122.820 0.035 0.000 1.930 224 A HA -0.069 4.258 4.320 0.011 0.000 0.217 224 A C 2.206 179.920 177.584 0.217 0.000 1.175 224 A CA 1.795 53.806 52.037 -0.043 0.000 0.627 224 A CB -0.448 18.308 19.000 -0.406 0.000 0.815 224 A HN 0.474 nan 8.150 nan 0.000 0.443 225 K N -0.497 119.993 120.400 0.150 0.000 2.062 225 K HA -0.164 4.163 4.320 0.011 0.000 0.205 225 K C 1.239 177.892 176.600 0.089 0.000 1.051 225 K CA 1.525 57.805 56.287 -0.012 0.000 0.941 225 K CB -0.154 32.056 32.500 -0.483 0.000 0.719 225 K HN 0.323 nan 8.250 nan 0.000 0.440 226 D N -0.070 120.368 120.400 0.063 0.000 2.117 226 D HA -0.188 4.459 4.640 0.011 0.000 0.197 226 D C 1.383 177.753 176.300 0.117 0.000 0.987 226 D CA 0.968 54.996 54.000 0.047 0.000 0.829 226 D CB -0.350 40.474 40.800 0.040 0.000 0.961 226 D HN 0.405 nan 8.370 nan 0.000 0.460 227 W N 0.765 122.075 121.300 0.017 0.000 2.355 227 W HA -0.241 4.425 4.660 0.011 0.000 0.309 227 W C 2.086 178.649 176.519 0.073 0.000 1.206 227 W CA 1.211 58.579 57.345 0.038 0.000 1.284 227 W CB -0.688 28.803 29.460 0.052 0.000 1.145 227 W HN -0.042 nan 8.180 nan 0.000 0.502 228 F N 1.036 121.061 119.950 0.125 0.000 2.046 228 F HA -0.214 4.319 4.527 0.011 0.000 0.297 228 F C 2.084 177.735 175.800 -0.249 0.000 1.123 228 F CA 2.342 60.280 58.000 -0.104 0.000 1.199 228 F CB -0.981 38.194 39.000 0.292 0.000 0.972 228 F HN -0.154 nan 8.300 nan 0.000 0.474 229 L N 0.014 121.057 121.223 -0.300 0.000 2.265 229 L HA -0.222 4.124 4.340 0.011 0.000 0.215 229 L C 2.450 179.083 176.870 -0.395 0.000 1.117 229 L CA 0.622 55.202 54.840 -0.433 0.000 0.782 229 L CB -0.696 41.249 42.059 -0.190 0.000 0.914 229 L HN 0.298 nan 8.230 nan 0.000 0.441 230 L N -1.176 119.850 121.223 -0.330 0.000 2.127 230 L HA -0.221 4.125 4.340 0.011 0.000 0.211 230 L C 2.465 179.141 176.870 -0.325 0.000 1.089 230 L CA 1.131 55.808 54.840 -0.272 0.000 0.757 230 L CB -0.227 41.692 42.059 -0.233 0.000 0.899 230 L HN 0.248 nan 8.230 nan 0.000 0.434 231 S N -0.894 114.526 115.700 -0.467 0.000 2.438 231 S HA 0.091 4.567 4.470 0.011 0.000 0.220 231 S C 2.109 176.431 174.600 -0.464 0.000 1.045 231 S CA 0.600 58.559 58.200 -0.403 0.000 0.940 231 S CB -0.041 62.911 63.200 -0.412 0.000 0.863 231 S HN 0.411 nan 8.310 nan 0.000 0.539 232 A N 1.404 123.685 122.820 -0.899 0.000 1.908 232 A HA -0.165 4.162 4.320 0.011 0.000 0.218 232 A C 1.379 178.574 177.584 -0.649 0.000 1.181 232 A CA 2.292 53.581 52.037 -1.247 0.000 0.627 232 A CB -0.494 17.300 19.000 -2.010 0.000 0.818 232 A HN 0.535 nan 8.150 nan 0.000 0.445 233 K N -2.142 117.954 120.400 -0.506 0.000 3.870 233 K HA -0.242 4.084 4.320 0.011 0.000 0.370 233 K C 0.015 176.480 176.600 -0.226 0.000 0.607 233 K CA 1.596 57.707 56.287 -0.293 0.000 1.617 233 K CB -1.477 30.897 32.500 -0.210 0.000 1.221 233 K HN 0.616 nan 8.250 nan 0.000 0.485 234 D N 1.154 121.412 120.400 -0.238 0.000 2.339 234 D HA 0.177 4.824 4.640 0.011 0.000 0.241 234 D C -1.785 174.457 176.300 -0.098 0.000 1.183 234 D CA -2.409 51.511 54.000 -0.134 0.000 0.859 234 D CB 1.387 42.135 40.800 -0.088 0.000 1.067 234 D HN -0.115 nan 8.370 nan 0.000 0.484 235 P HA -0.191 nan 4.420 nan 0.000 0.217 235 P C 1.248 178.558 177.300 0.017 0.000 1.148 235 P CA 1.390 64.467 63.100 -0.039 0.000 0.834 235 P CB 0.095 31.759 31.700 -0.059 0.000 0.783 236 S N -1.639 114.076 115.700 0.024 0.000 2.474 236 S HA -0.125 4.352 4.470 0.011 0.000 0.235 236 S C 1.758 176.432 174.600 0.124 0.000 0.997 236 S CA 1.576 59.810 58.200 0.058 0.000 0.949 236 S CB -1.873 61.352 63.200 0.041 0.000 0.766 236 S HN 0.313 nan 8.310 nan 0.000 0.517 237 T N -0.788 113.866 114.554 0.167 0.000 3.085 237 T HA 0.146 4.502 4.350 0.011 0.000 0.263 237 T C 1.608 176.591 174.700 0.472 0.000 1.127 237 T CA 0.570 62.861 62.100 0.318 0.000 1.103 237 T CB -0.658 68.371 68.868 0.268 0.000 0.921 237 T HN 0.215 nan 8.240 nan 0.000 0.510 238 V N 2.043 122.178 119.914 0.367 0.000 2.392 238 V HA -0.137 3.990 4.120 0.011 0.000 0.249 238 V C 3.169 179.474 176.094 0.352 0.000 1.059 238 V CA 1.681 64.154 62.300 0.290 0.000 1.051 238 V CB -1.363 30.480 31.823 0.033 0.000 0.658 238 V HN 0.700 nan 8.190 nan 0.000 0.455 239 A N -0.756 122.232 122.820 0.280 0.000 2.125 239 A HA -0.190 4.137 4.320 0.011 0.000 0.219 239 A C 2.182 179.993 177.584 0.378 0.000 1.156 239 A CA 1.525 53.735 52.037 0.290 0.000 0.671 239 A CB -0.337 18.777 19.000 0.190 0.000 0.794 239 A HN 0.591 nan 8.150 nan 0.000 0.459 240 K N -1.592 119.027 120.400 0.365 0.000 2.361 240 K HA 0.102 4.428 4.320 0.011 0.000 0.194 240 K C 0.611 177.366 176.600 0.258 0.000 1.032 240 K CA 0.451 56.928 56.287 0.316 0.000 1.048 240 K CB 0.147 32.726 32.500 0.131 0.000 0.842 240 K HN 0.595 nan 8.250 nan 0.000 0.526 241 H N -1.358 117.943 119.070 0.385 0.000 3.058 241 H HA 0.194 4.756 4.556 0.011 0.000 0.266 241 H C -0.738 174.604 175.328 0.022 0.000 1.135 241 H CA 0.045 56.187 56.048 0.158 0.000 1.174 241 H CB 0.694 30.307 29.762 -0.248 0.000 1.581 241 H HN -0.061 nan 8.280 nan 0.000 0.553 242 F N 1.532 121.642 119.950 0.267 0.000 2.561 242 F HA 0.369 4.902 4.527 0.011 0.000 0.313 242 F C 0.127 176.044 175.800 0.195 0.000 1.126 242 F CA -1.176 56.981 58.000 0.262 0.000 0.918 242 F CB 1.918 41.109 39.000 0.319 0.000 1.199 242 F HN -0.236 nan 8.300 nan 0.000 0.444 243 V N -0.109 119.959 119.914 0.256 0.000 3.141 243 V HA 1.048 5.175 4.120 0.011 0.000 0.312 243 V C -1.013 175.158 176.094 0.130 0.000 1.157 243 V CA -1.223 61.151 62.300 0.123 0.000 1.041 243 V CB 1.577 33.352 31.823 -0.079 0.000 1.071 243 V HN 1.035 nan 8.190 nan 0.000 0.441 244 A N 1.904 124.783 122.820 0.098 0.000 2.449 244 A HA 0.858 5.185 4.320 0.011 0.000 0.302 244 A C -0.945 176.732 177.584 0.155 0.000 1.048 244 A CA -0.743 51.358 52.037 0.106 0.000 0.708 244 A CB 1.659 20.601 19.000 -0.097 0.000 1.274 244 A HN 1.086 nan 8.150 nan 0.000 0.410 245 L N 2.343 123.675 121.223 0.182 0.000 2.360 245 L HA 0.604 4.951 4.340 0.011 0.000 0.265 245 L C 0.280 177.369 176.870 0.366 0.000 1.066 245 L CA -0.103 54.883 54.840 0.243 0.000 0.929 245 L CB 0.190 42.316 42.059 0.112 0.000 1.306 245 L HN 0.704 nan 8.230 nan 0.000 0.434 246 S N 0.328 116.128 115.700 0.166 0.000 2.703 246 S HA 0.525 5.001 4.470 0.011 0.000 0.273 246 S C 0.378 174.828 174.600 -0.250 0.000 1.178 246 S CA 0.324 58.504 58.200 -0.033 0.000 0.838 246 S CB 1.804 64.991 63.200 -0.021 0.000 1.178 246 S HN 0.553 nan 8.310 nan 0.000 0.494 247 T N -0.954 113.417 114.554 -0.305 0.000 3.016 247 T HA 0.334 4.691 4.350 0.011 0.000 0.271 247 T C 0.163 174.738 174.700 -0.208 0.000 0.968 247 T CA -0.144 61.778 62.100 -0.295 0.000 0.891 247 T CB -0.358 68.289 68.868 -0.368 0.000 1.149 247 T HN 0.382 nan 8.240 nan 0.000 0.524 248 N N 2.635 121.224 118.700 -0.186 0.000 2.739 248 N HA 0.155 4.902 4.740 0.011 0.000 0.266 248 N C 0.903 176.301 175.510 -0.186 0.000 1.168 248 N CA 0.167 53.136 53.050 -0.136 0.000 1.055 248 N CB 0.586 39.042 38.487 -0.050 0.000 1.393 248 N HN 0.288 nan 8.380 nan 0.000 0.514 249 T N 0.945 115.406 114.554 -0.155 0.000 2.699 249 T HA -0.185 4.172 4.350 0.011 0.000 0.268 249 T C 1.834 176.465 174.700 -0.114 0.000 1.036 249 T CA 1.718 63.730 62.100 -0.147 0.000 1.147 249 T CB -0.067 68.738 68.868 -0.104 0.000 0.862 249 T HN 0.573 nan 8.240 nan 0.000 0.446 250 A N 2.199 124.976 122.820 -0.072 0.000 1.851 250 A HA -0.163 4.164 4.320 0.011 0.000 0.216 250 A C 2.340 179.913 177.584 -0.017 0.000 1.195 250 A CA 1.425 53.442 52.037 -0.034 0.000 0.622 250 A CB -0.419 18.573 19.000 -0.012 0.000 0.831 250 A HN 0.222 nan 8.150 nan 0.000 0.444 251 K N -0.258 120.141 120.400 -0.002 0.000 2.103 251 K HA -0.079 4.248 4.320 0.011 0.000 0.207 251 K C 2.047 178.671 176.600 0.040 0.000 1.048 251 K CA 1.343 57.684 56.287 0.090 0.000 0.930 251 K CB -1.008 31.619 32.500 0.211 0.000 0.716 251 K HN 0.361 nan 8.250 nan 0.000 0.444 252 V N 1.579 121.323 119.914 -0.282 0.000 2.295 252 V HA -0.248 3.878 4.120 0.011 0.000 0.246 252 V C 2.303 178.350 176.094 -0.078 0.000 1.049 252 V CA 1.760 63.784 62.300 -0.459 0.000 1.024 252 V CB -0.376 31.087 31.823 -0.601 0.000 0.648 252 V HN 0.329 nan 8.190 nan 0.000 0.447 253 K N -0.217 120.146 120.400 -0.063 0.000 2.057 253 K HA -0.212 4.115 4.320 0.011 0.000 0.207 253 K C 2.162 178.787 176.600 0.042 0.000 1.049 253 K CA 1.753 58.037 56.287 -0.005 0.000 0.931 253 K CB -0.210 32.278 32.500 -0.021 0.000 0.714 253 K HN 0.545 nan 8.250 nan 0.000 0.440 254 E N -0.078 120.158 120.200 0.059 0.000 2.110 254 E HA -0.192 4.164 4.350 0.011 0.000 0.193 254 E C 1.700 178.363 176.600 0.104 0.000 0.988 254 E CA 0.921 57.365 56.400 0.073 0.000 0.804 254 E CB -0.119 29.632 29.700 0.086 0.000 0.745 254 E HN 0.232 nan 8.360 nan 0.000 0.458 255 F N -0.034 119.938 119.950 0.038 0.000 2.365 255 F HA -0.051 4.482 4.527 0.011 0.000 0.300 255 F C 1.475 177.259 175.800 -0.027 0.000 1.090 255 F CA 1.595 59.623 58.000 0.046 0.000 1.408 255 F CB 0.352 39.466 39.000 0.191 0.000 1.060 255 F HN 0.095 nan 8.300 nan 0.000 0.534 256 G N 0.433 109.281 108.800 0.080 0.000 2.175 256 G HA2 -0.193 3.774 3.960 0.011 0.000 0.182 256 G HA3 -0.193 3.774 3.960 0.011 0.000 0.182 256 G C 0.171 175.140 174.900 0.116 0.000 1.003 256 G CA -0.060 45.045 45.100 0.009 0.000 0.666 256 G HN 0.279 nan 8.290 nan 0.000 0.506 257 I N 1.620 122.309 120.570 0.197 0.000 2.428 257 I HA 0.264 4.440 4.170 0.011 0.000 0.289 257 I C 0.192 176.365 176.117 0.093 0.000 1.019 257 I CA -0.686 60.728 61.300 0.189 0.000 1.351 257 I CB 1.138 39.246 38.000 0.180 0.000 1.412 257 I HN 0.064 nan 8.210 nan 0.000 0.513 258 D N 9.289 129.754 120.400 0.107 0.000 2.401 258 D HA 0.050 4.696 4.640 0.011 0.000 0.254 258 D C -1.373 174.926 176.300 -0.002 0.000 1.192 258 D CA -2.078 51.959 54.000 0.062 0.000 0.885 258 D CB 1.206 42.067 40.800 0.102 0.000 1.147 258 D HN 0.254 nan 8.370 nan 0.000 0.478 259 P HA -0.207 nan 4.420 nan 0.000 0.222 259 P C 1.078 178.302 177.300 -0.126 0.000 1.142 259 P CA 0.984 64.029 63.100 -0.092 0.000 0.788 259 P CB 0.320 31.975 31.700 -0.075 0.000 0.767 260 Q N -0.451 119.294 119.800 -0.091 0.000 2.472 260 Q HA 0.007 4.353 4.340 0.011 0.000 0.208 260 Q C 0.663 176.525 176.000 -0.231 0.000 0.958 260 Q CA 0.508 56.239 55.803 -0.121 0.000 0.932 260 Q CB -0.180 28.535 28.738 -0.037 0.000 1.007 260 Q HN 0.174 nan 8.270 nan 0.000 0.508 261 N N 0.170 118.746 118.700 -0.206 0.000 2.389 261 N HA 0.125 4.871 4.740 0.011 0.000 0.260 261 N C -1.002 174.289 175.510 -0.365 0.000 1.191 261 N CA 0.099 52.961 53.050 -0.313 0.000 0.885 261 N CB 0.663 39.131 38.487 -0.032 0.000 1.162 261 N HN 0.263 nan 8.380 nan 0.000 0.512 262 M N 0.892 120.217 119.600 -0.458 0.000 2.114 262 M HA 0.386 4.872 4.480 0.011 0.000 0.332 262 M C -1.496 174.546 176.300 -0.430 0.000 1.014 262 M CA -0.625 54.493 55.300 -0.303 0.000 0.956 262 M CB 0.569 33.021 32.600 -0.246 0.000 1.551 262 M HN -0.175 nan 8.290 nan 0.000 0.427 263 F N 3.486 123.356 119.950 -0.134 0.000 2.391 263 F HA 0.384 4.918 4.527 0.011 0.000 0.359 263 F C 0.298 176.059 175.800 -0.065 0.000 1.122 263 F CA -0.508 57.436 58.000 -0.093 0.000 1.120 263 F CB 0.739 39.682 39.000 -0.094 0.000 1.142 263 F HN 0.521 nan 8.300 nan 0.000 0.483 264 E N 3.813 123.989 120.200 -0.040 0.000 2.283 264 E HA 0.602 4.959 4.350 0.011 0.000 0.271 264 E C -0.830 175.466 176.600 -0.507 0.000 1.031 264 E CA -0.626 55.609 56.400 -0.276 0.000 0.868 264 E CB 1.504 30.949 29.700 -0.425 0.000 1.094 264 E HN 0.535 nan 8.360 nan 0.000 0.401 265 F N -1.737 117.594 119.950 -1.032 0.000 2.706 265 F HA 0.687 5.220 4.527 0.011 0.000 0.328 265 F C -0.893 174.054 175.800 -1.421 0.000 1.123 265 F CA -1.196 55.979 58.000 -1.375 0.000 0.978 265 F CB 1.266 39.976 39.000 -0.484 0.000 1.404 265 F HN 0.330 nan 8.300 nan 0.000 0.497 266 W N 0.626 121.630 121.300 -0.493 0.000 2.894 266 W HA 0.211 4.878 4.660 0.011 0.000 0.345 266 W C 0.074 176.223 176.519 -0.618 0.000 1.152 266 W CA -0.329 56.550 57.345 -0.778 0.000 1.089 266 W CB 1.248 29.856 29.460 -1.420 0.000 1.454 266 W HN 0.722 nan 8.180 nan 0.000 0.589 267 D N -1.101 119.150 120.400 -0.249 0.000 2.310 267 D HA -0.182 4.465 4.640 0.011 0.000 0.212 267 D C 1.346 177.696 176.300 0.084 0.000 0.965 267 D CA 1.001 54.965 54.000 -0.061 0.000 0.879 267 D CB -0.468 40.342 40.800 0.016 0.000 0.921 267 D HN 0.462 nan 8.370 nan 0.000 0.510 268 W N 0.330 121.753 121.300 0.205 0.000 3.405 268 W HA 0.413 5.080 4.660 0.011 0.000 0.300 268 W C -0.714 175.921 176.519 0.194 0.000 1.286 268 W CA -0.658 56.769 57.345 0.136 0.000 1.762 268 W CB -0.319 29.173 29.460 0.054 0.000 1.087 268 W HN -0.229 nan 8.180 nan 0.000 0.703 269 V N 2.386 122.484 119.914 0.306 0.000 2.293 269 V HA 0.458 4.585 4.120 0.011 0.000 0.275 269 V C 0.852 177.166 176.094 0.367 0.000 1.021 269 V CA -0.645 61.895 62.300 0.400 0.000 0.815 269 V CB 0.481 32.537 31.823 0.388 0.000 1.025 269 V HN 0.139 nan 8.190 nan 0.000 0.448 270 G N 3.057 112.106 108.800 0.415 0.000 2.442 270 G HA2 0.405 4.371 3.960 0.011 0.000 0.249 270 G HA3 0.405 4.371 3.960 0.011 0.000 0.249 270 G C 1.134 176.228 174.900 0.322 0.000 1.263 270 G CA 0.232 45.570 45.100 0.395 0.000 0.846 270 G HN 0.859 nan 8.290 nan 0.000 0.555 271 G N 2.043 110.966 108.800 0.204 0.000 2.513 271 G HA2 -0.305 3.661 3.960 0.011 0.000 0.219 271 G HA3 -0.305 3.661 3.960 0.011 0.000 0.219 271 G C 1.680 176.585 174.900 0.008 0.000 1.160 271 G CA 0.987 46.148 45.100 0.101 0.000 0.767 271 G HN 0.801 nan 8.290 nan 0.000 0.571 272 R N -0.902 119.558 120.500 -0.067 0.000 2.339 272 R HA 0.124 4.471 4.340 0.011 0.000 0.199 272 R C 0.302 176.324 176.300 -0.464 0.000 1.018 272 R CA 0.630 56.528 56.100 -0.337 0.000 1.036 272 R CB -0.296 29.715 30.300 -0.482 0.000 0.899 272 R HN 0.474 nan 8.270 nan 0.000 0.473 273 Y N 0.310 120.640 120.300 0.050 0.000 2.721 273 Y HA 0.191 4.748 4.550 0.011 0.000 0.251 273 Y C 1.109 177.162 175.900 0.255 0.000 1.136 273 Y CA -0.412 57.760 58.100 0.121 0.000 1.142 273 Y CB 1.247 39.650 38.460 -0.095 0.000 1.212 273 Y HN 0.192 nan 8.280 nan 0.000 0.565 274 S N -0.772 115.044 115.700 0.194 0.000 2.524 274 S HA -0.021 4.455 4.470 0.011 0.000 0.215 274 S C 1.631 176.196 174.600 -0.059 0.000 0.986 274 S CA 0.061 58.323 58.200 0.103 0.000 0.911 274 S CB -0.486 62.681 63.200 -0.055 0.000 0.805 274 S HN 0.443 nan 8.310 nan 0.000 0.501 275 L N -1.344 119.731 121.223 -0.248 0.000 2.261 275 L HA 0.248 4.594 4.340 0.011 0.000 0.216 275 L C 1.756 178.472 176.870 -0.256 0.000 1.114 275 L CA 0.962 55.578 54.840 -0.374 0.000 0.777 275 L CB -1.584 40.108 42.059 -0.612 0.000 0.910 275 L HN 0.382 nan 8.230 nan 0.000 0.440 276 W N 0.699 122.067 121.300 0.114 0.000 2.800 276 W HA 0.225 4.891 4.660 0.011 0.000 0.249 276 W C 1.822 178.478 176.519 0.229 0.000 1.294 276 W CA 0.334 57.757 57.345 0.129 0.000 1.402 276 W CB -0.672 28.853 29.460 0.109 0.000 1.126 276 W HN 0.371 nan 8.180 nan 0.000 0.652 277 S N 0.268 116.173 115.700 0.341 0.000 2.521 277 S HA 0.656 5.133 4.470 0.011 0.000 0.278 277 S C 1.612 176.294 174.600 0.137 0.000 1.140 277 S CA -0.075 58.290 58.200 0.275 0.000 1.028 277 S CB 0.400 63.695 63.200 0.158 0.000 1.203 277 S HN 0.004 nan 8.310 nan 0.000 0.491 278 A N 0.192 123.030 122.820 0.031 0.000 2.076 278 A HA 0.016 4.342 4.320 0.011 0.000 0.220 278 A C 2.021 179.480 177.584 -0.209 0.000 1.160 278 A CA 1.111 53.127 52.037 -0.035 0.000 0.653 278 A CB -1.118 17.925 19.000 0.072 0.000 0.801 278 A HN 0.698 nan 8.150 nan 0.000 0.455 279 I N -0.011 120.346 120.570 -0.356 0.000 2.530 279 I HA -0.189 3.987 4.170 0.011 0.000 0.257 279 I C 2.239 178.227 176.117 -0.216 0.000 1.179 279 I CA 1.424 62.516 61.300 -0.347 0.000 1.440 279 I CB -1.567 36.172 38.000 -0.435 0.000 1.087 279 I HN 0.375 nan 8.210 nan 0.000 0.440 280 G N 0.125 108.825 108.800 -0.167 0.000 3.124 280 G HA2 -0.005 3.961 3.960 0.011 0.000 0.212 280 G HA3 -0.005 3.961 3.960 0.011 0.000 0.212 280 G C 1.531 176.169 174.900 -0.436 0.000 1.181 280 G CA -0.197 44.787 45.100 -0.194 0.000 0.803 280 G HN 0.251 nan 8.290 nan 0.000 0.529 281 L N 2.010 123.011 121.223 -0.371 0.000 2.042 281 L HA -0.152 4.194 4.340 0.011 0.000 0.210 281 L C 3.036 179.720 176.870 -0.310 0.000 1.076 281 L CA 2.644 57.241 54.840 -0.406 0.000 0.749 281 L CB -0.609 41.176 42.059 -0.456 0.000 0.893 281 L HN 0.309 nan 8.230 nan 0.000 0.432 282 S N -1.053 114.517 115.700 -0.217 0.000 2.399 282 S HA -0.190 4.286 4.470 0.011 0.000 0.231 282 S C 2.041 176.586 174.600 -0.093 0.000 1.022 282 S CA 1.547 59.658 58.200 -0.147 0.000 0.983 282 S CB -1.007 62.130 63.200 -0.104 0.000 0.803 282 S HN 0.538 nan 8.310 nan 0.000 0.480 283 I N 2.221 122.712 120.570 -0.132 0.000 2.202 283 I HA -0.108 4.069 4.170 0.011 0.000 0.242 283 I C 3.092 179.125 176.117 -0.140 0.000 1.091 283 I CA 1.103 62.355 61.300 -0.080 0.000 1.368 283 I CB -0.711 37.252 38.000 -0.061 0.000 1.058 283 I HN 0.408 nan 8.210 nan 0.000 0.410 284 A N 0.967 123.534 122.820 -0.421 0.000 1.902 284 A HA -0.162 4.165 4.320 0.011 0.000 0.217 284 A C 2.306 179.833 177.584 -0.094 0.000 1.181 284 A CA 1.437 53.262 52.037 -0.353 0.000 0.623 284 A CB -0.870 17.812 19.000 -0.529 0.000 0.818 284 A HN 0.381 nan 8.150 nan 0.000 0.443 285 L N -1.768 119.398 121.223 -0.095 0.000 2.083 285 L HA -0.195 4.152 4.340 0.011 0.000 0.209 285 L C 2.659 179.543 176.870 0.024 0.000 1.083 285 L CA 1.617 56.427 54.840 -0.050 0.000 0.752 285 L CB -0.552 41.453 42.059 -0.092 0.000 0.899 285 L HN 0.611 nan 8.230 nan 0.000 0.433 286 H N -0.576 118.449 119.070 -0.075 0.000 2.372 286 H HA -0.064 4.499 4.556 0.011 0.000 0.301 286 H C 1.841 177.162 175.328 -0.013 0.000 1.065 286 H CA 1.809 57.831 56.048 -0.043 0.000 1.364 286 H CB 0.618 30.364 29.762 -0.026 0.000 1.406 286 H HN 0.276 nan 8.280 nan 0.000 0.521 287 V N -2.439 117.477 119.914 0.003 0.000 3.578 287 V HA 0.454 4.581 4.120 0.011 0.000 0.290 287 V C 0.680 176.786 176.094 0.020 0.000 1.376 287 V CA 0.382 62.668 62.300 -0.023 0.000 1.083 287 V CB 0.214 32.052 31.823 0.025 0.000 0.911 287 V HN 0.582 nan 8.190 nan 0.000 0.433 288 G N -0.141 108.677 108.800 0.031 0.000 2.705 288 G HA2 -0.218 3.749 3.960 0.011 0.000 0.686 288 G HA3 -0.218 3.749 3.960 0.011 0.000 0.686 288 G C -0.401 174.577 174.900 0.129 0.000 1.285 288 G CA -0.006 45.143 45.100 0.082 0.000 0.800 288 G HN 0.247 nan 8.290 nan 0.000 0.611 289 F N 0.572 120.564 119.950 0.070 0.000 2.234 289 F HA 0.034 4.568 4.527 0.011 0.000 0.299 289 F C 2.421 178.318 175.800 0.161 0.000 1.087 289 F CA 2.075 60.160 58.000 0.142 0.000 1.340 289 F CB 0.134 39.203 39.000 0.116 0.000 1.031 289 F HN 0.533 nan 8.300 nan 0.000 0.500 290 D N -0.131 120.400 120.400 0.219 0.000 2.097 290 D HA -0.185 4.462 4.640 0.011 0.000 0.195 290 D C 1.940 178.272 176.300 0.052 0.000 0.989 290 D CA 1.139 55.220 54.000 0.135 0.000 0.827 290 D CB -0.450 40.413 40.800 0.106 0.000 0.966 290 D HN 0.222 nan 8.370 nan 0.000 0.456 291 N N -0.085 118.638 118.700 0.038 0.000 2.188 291 N HA -0.127 4.620 4.740 0.011 0.000 0.184 291 N C 1.654 177.143 175.510 -0.035 0.000 1.018 291 N CA 0.265 53.300 53.050 -0.024 0.000 0.858 291 N CB -0.409 38.063 38.487 -0.025 0.000 0.989 291 N HN 0.159 nan 8.380 nan 0.000 0.426 292 F N 2.356 122.178 119.950 -0.214 0.000 2.171 292 F HA -0.063 4.471 4.527 0.011 0.000 0.300 292 F C 2.040 177.693 175.800 -0.244 0.000 1.090 292 F CA 1.255 59.073 58.000 -0.303 0.000 1.293 292 F CB -0.106 38.544 39.000 -0.583 0.000 1.013 292 F HN 0.041 nan 8.300 nan 0.000 0.486 293 E N -0.670 119.388 120.200 -0.237 0.000 2.204 293 E HA -0.195 4.162 4.350 0.011 0.000 0.194 293 E C 2.114 178.650 176.600 -0.106 0.000 0.989 293 E CA 0.716 57.012 56.400 -0.174 0.000 0.824 293 E CB -0.130 29.583 29.700 0.023 0.000 0.756 293 E HN 0.447 nan 8.360 nan 0.000 0.477 294 Q N 0.427 120.184 119.800 -0.072 0.000 2.123 294 Q HA -0.118 4.228 4.340 0.011 0.000 0.199 294 Q C 2.335 178.319 176.000 -0.025 0.000 0.966 294 Q CA 0.685 56.492 55.803 0.008 0.000 0.845 294 Q CB -0.256 28.470 28.738 -0.021 0.000 0.907 294 Q HN 0.259 nan 8.270 nan 0.000 0.439 295 L N 0.512 121.657 121.223 -0.131 0.000 2.017 295 L HA -0.156 4.191 4.340 0.011 0.000 0.208 295 L C 2.133 178.964 176.870 -0.065 0.000 1.073 295 L CA 1.527 56.294 54.840 -0.121 0.000 0.745 295 L CB -0.604 41.347 42.059 -0.179 0.000 0.894 295 L HN 0.138 nan 8.230 nan 0.000 0.432 296 L N -1.191 119.923 121.223 -0.182 0.000 2.083 296 L HA -0.182 4.164 4.340 0.011 0.000 0.209 296 L C 2.456 179.276 176.870 -0.082 0.000 1.083 296 L CA 1.310 56.079 54.840 -0.118 0.000 0.752 296 L CB -0.705 41.223 42.059 -0.219 0.000 0.899 296 L HN 0.243 nan 8.230 nan 0.000 0.433 297 S N 0.048 115.726 115.700 -0.036 0.000 2.402 297 S HA -0.095 4.382 4.470 0.011 0.000 0.229 297 S C 2.045 176.581 174.600 -0.107 0.000 1.021 297 S CA 1.098 59.358 58.200 0.101 0.000 0.974 297 S CB -0.466 62.897 63.200 0.271 0.000 0.800 297 S HN 0.606 nan 8.310 nan 0.000 0.484 298 G N 1.446 109.874 108.800 -0.620 0.000 2.418 298 G HA2 -0.053 3.914 3.960 0.011 0.000 0.217 298 G HA3 -0.053 3.914 3.960 0.011 0.000 0.217 298 G C 1.555 176.179 174.900 -0.460 0.000 1.158 298 G CA 0.842 45.134 45.100 -1.347 0.000 0.771 298 G HN 0.568 nan 8.290 nan 0.000 0.545 299 A N 0.287 122.948 122.820 -0.265 0.000 1.930 299 A HA -0.075 4.252 4.320 0.011 0.000 0.217 299 A C 2.114 179.642 177.584 -0.094 0.000 1.175 299 A CA 2.050 53.931 52.037 -0.259 0.000 0.627 299 A CB -0.746 17.800 19.000 -0.756 0.000 0.815 299 A HN 0.505 nan 8.150 nan 0.000 0.443 300 H N -2.216 116.776 119.070 -0.130 0.000 2.387 300 H HA -0.194 4.369 4.556 0.011 0.000 0.299 300 H C 1.721 177.093 175.328 0.074 0.000 1.090 300 H CA 2.012 58.049 56.048 -0.019 0.000 1.332 300 H CB -0.422 29.344 29.762 0.007 0.000 1.386 300 H HN 0.690 nan 8.280 nan 0.000 0.516 301 W N 0.080 121.334 121.300 -0.077 0.000 2.355 301 W HA -0.225 4.441 4.660 0.011 0.000 0.309 301 W C 2.309 178.822 176.519 -0.011 0.000 1.206 301 W CA 1.782 59.111 57.345 -0.027 0.000 1.284 301 W CB -0.291 29.240 29.460 0.119 0.000 1.145 301 W HN 0.281 nan 8.180 nan 0.000 0.502 302 M N 0.971 120.759 119.600 0.313 0.000 2.229 302 M HA -0.161 4.326 4.480 0.011 0.000 0.264 302 M C 1.364 177.779 176.300 0.191 0.000 1.063 302 M CA 2.002 57.471 55.300 0.282 0.000 1.114 302 M CB -0.849 31.915 32.600 0.273 0.000 1.387 302 M HN -0.128 nan 8.290 nan 0.000 0.420 303 D N -0.257 120.239 120.400 0.159 0.000 2.097 303 D HA -0.181 4.465 4.640 0.011 0.000 0.195 303 D C 2.012 178.317 176.300 0.007 0.000 0.989 303 D CA 1.221 55.389 54.000 0.280 0.000 0.827 303 D CB -0.308 40.653 40.800 0.267 0.000 0.966 303 D HN 0.438 nan 8.370 nan 0.000 0.456 304 Q N -0.088 119.557 119.800 -0.259 0.000 2.084 304 Q HA -0.165 4.182 4.340 0.011 0.000 0.202 304 Q C 2.167 177.922 176.000 -0.409 0.000 0.978 304 Q CA 0.932 56.490 55.803 -0.409 0.000 0.844 304 Q CB -0.718 27.704 28.738 -0.527 0.000 0.898 304 Q HN 0.622 nan 8.270 nan 0.000 0.426 305 H N -0.098 118.647 119.070 -0.541 0.000 2.319 305 H HA -0.163 4.399 4.556 0.011 0.000 0.299 305 H C 1.898 177.119 175.328 -0.179 0.000 1.092 305 H CA 1.517 57.295 56.048 -0.451 0.000 1.302 305 H CB -0.205 29.250 29.762 -0.512 0.000 1.373 305 H HN 0.187 nan 8.280 nan 0.000 0.497 306 F N 1.905 121.679 119.950 -0.294 0.000 2.171 306 F HA -0.078 4.456 4.527 0.011 0.000 0.300 306 F C 2.865 178.408 175.800 -0.427 0.000 1.090 306 F CA 1.525 59.340 58.000 -0.308 0.000 1.293 306 F CB -0.519 38.343 39.000 -0.228 0.000 1.013 306 F HN 0.037 nan 8.300 nan 0.000 0.486 307 R N -0.569 119.526 120.500 -0.676 0.000 2.119 307 R HA -0.061 4.286 4.340 0.011 0.000 0.222 307 R C 1.838 177.767 176.300 -0.618 0.000 1.088 307 R CA 1.665 57.227 56.100 -0.897 0.000 0.984 307 R CB -0.269 29.387 30.300 -1.073 0.000 0.884 307 R HN 0.443 nan 8.270 nan 0.000 0.447 308 T N -3.223 111.038 114.554 -0.489 0.000 3.023 308 T HA 0.157 4.514 4.350 0.011 0.000 0.253 308 T C 0.370 174.875 174.700 -0.326 0.000 1.038 308 T CA -0.239 61.638 62.100 -0.372 0.000 0.962 308 T CB 0.506 69.185 68.868 -0.314 0.000 1.018 308 T HN -0.108 nan 8.240 nan 0.000 0.521 309 T N 4.507 118.828 114.554 -0.388 0.000 2.806 309 T HA 0.476 4.833 4.350 0.011 0.000 0.290 309 T C -2.676 171.877 174.700 -0.246 0.000 0.966 309 T CA -1.132 60.771 62.100 -0.328 0.000 1.060 309 T CB 1.281 69.847 68.868 -0.503 0.000 0.927 309 T HN 0.095 nan 8.240 nan 0.000 0.485 310 P HA 0.108 nan 4.420 nan 0.000 0.266 310 P C 1.132 178.367 177.300 -0.108 0.000 1.195 310 P CA -0.150 62.873 63.100 -0.129 0.000 0.768 310 P CB 0.449 32.090 31.700 -0.098 0.000 0.838 311 L N 2.200 123.369 121.223 -0.090 0.000 2.051 311 L HA -0.263 4.084 4.340 0.011 0.000 0.214 311 L C 2.149 178.996 176.870 -0.038 0.000 1.076 311 L CA 1.685 56.492 54.840 -0.055 0.000 0.758 311 L CB -0.965 41.068 42.059 -0.044 0.000 0.890 311 L HN 0.510 nan 8.230 nan 0.000 0.433 312 E N 0.053 120.228 120.200 -0.042 0.000 2.333 312 E HA -0.183 4.174 4.350 0.011 0.000 0.198 312 E C 1.025 177.618 176.600 -0.011 0.000 1.007 312 E CA 1.026 57.405 56.400 -0.034 0.000 0.845 312 E CB -0.250 29.420 29.700 -0.050 0.000 0.766 312 E HN 0.428 nan 8.360 nan 0.000 0.507 313 K N 0.712 121.110 120.400 -0.004 0.000 2.536 313 K HA 0.151 4.477 4.320 0.011 0.000 0.203 313 K C -0.028 176.627 176.600 0.091 0.000 1.063 313 K CA -0.279 56.038 56.287 0.050 0.000 1.063 313 K CB 0.346 32.869 32.500 0.039 0.000 0.843 313 K HN -0.031 nan 8.250 nan 0.000 0.521 314 N N 1.492 120.215 118.700 0.039 0.000 2.437 314 N HA 0.154 4.901 4.740 0.011 0.000 0.243 314 N C 0.835 176.470 175.510 0.208 0.000 1.041 314 N CA 0.156 53.238 53.050 0.052 0.000 0.940 314 N CB 1.449 39.935 38.487 -0.002 0.000 1.133 314 N HN 0.077 nan 8.380 nan 0.000 0.506 315 A N 7.211 130.309 122.820 0.462 0.000 1.869 315 A HA -0.129 4.198 4.320 0.011 0.000 0.218 315 A C -0.509 177.157 177.584 0.137 0.000 1.203 315 A CA 1.525 53.715 52.037 0.255 0.000 0.638 315 A CB -1.417 17.704 19.000 0.202 0.000 0.831 315 A HN 0.633 nan 8.150 nan 0.000 0.450 316 P HA -0.094 nan 4.420 nan 0.000 0.218 316 P C 1.600 178.932 177.300 0.052 0.000 1.148 316 P CA 1.592 64.717 63.100 0.042 0.000 0.822 316 P CB -0.274 31.367 31.700 -0.099 0.000 0.784 317 V N 0.169 120.150 119.914 0.112 0.000 2.358 317 V HA -0.201 3.926 4.120 0.011 0.000 0.246 317 V C 2.822 178.917 176.094 0.002 0.000 1.047 317 V CA 1.476 63.830 62.300 0.090 0.000 1.035 317 V CB -1.202 30.691 31.823 0.115 0.000 0.658 317 V HN -0.000 nan 8.190 nan 0.000 0.452 318 L N -0.758 120.443 121.223 -0.038 0.000 2.017 318 L HA -0.182 4.164 4.340 0.011 0.000 0.208 318 L C 2.420 179.220 176.870 -0.117 0.000 1.073 318 L CA 1.543 56.286 54.840 -0.162 0.000 0.745 318 L CB -0.560 41.306 42.059 -0.321 0.000 0.894 318 L HN 0.279 nan 8.230 nan 0.000 0.432 319 L N -0.492 120.710 121.223 -0.035 0.000 2.046 319 L HA -0.221 4.125 4.340 0.011 0.000 0.208 319 L C 2.889 179.800 176.870 0.067 0.000 1.077 319 L CA 1.219 56.089 54.840 0.051 0.000 0.747 319 L CB -0.778 41.339 42.059 0.097 0.000 0.896 319 L HN 0.263 nan 8.230 nan 0.000 0.432 320 A N -0.313 122.526 122.820 0.032 0.000 1.877 320 A HA -0.216 4.111 4.320 0.011 0.000 0.216 320 A C 2.250 179.816 177.584 -0.029 0.000 1.186 320 A CA 1.668 53.703 52.037 -0.005 0.000 0.620 320 A CB -0.374 18.605 19.000 -0.035 0.000 0.822 320 A HN 0.282 nan 8.150 nan 0.000 0.443 321 M N -0.422 119.156 119.600 -0.037 0.000 2.229 321 M HA 0.048 4.535 4.480 0.011 0.000 0.264 321 M C 2.039 178.347 176.300 0.013 0.000 1.063 321 M CA 0.941 56.219 55.300 -0.037 0.000 1.114 321 M CB -1.469 31.091 32.600 -0.067 0.000 1.387 321 M HN 0.362 nan 8.290 nan 0.000 0.420 322 L N -0.728 120.507 121.223 0.020 0.000 2.093 322 L HA -0.095 4.252 4.340 0.011 0.000 0.208 322 L C 2.583 179.557 176.870 0.174 0.000 1.085 322 L CA 1.197 56.075 54.840 0.064 0.000 0.755 322 L CB -1.210 40.929 42.059 0.133 0.000 0.904 322 L HN 0.370 nan 8.230 nan 0.000 0.435 323 G N 0.315 109.245 108.800 0.216 0.000 2.418 323 G HA2 -0.214 3.752 3.960 0.011 0.000 0.217 323 G HA3 -0.214 3.752 3.960 0.011 0.000 0.217 323 G C 1.514 176.588 174.900 0.291 0.000 1.158 323 G CA 0.397 45.676 45.100 0.297 0.000 0.771 323 G HN 0.138 nan 8.290 nan 0.000 0.545 324 I N 0.010 120.690 120.570 0.183 0.000 2.208 324 I HA -0.156 4.020 4.170 0.011 0.000 0.245 324 I C 2.389 178.694 176.117 0.314 0.000 1.097 324 I CA 0.751 62.181 61.300 0.217 0.000 1.363 324 I CB -1.136 36.898 38.000 0.057 0.000 1.051 324 I HN 0.488 nan 8.210 nan 0.000 0.413 325 W N 1.187 122.491 121.300 0.007 0.000 2.335 325 W HA -0.314 4.353 4.660 0.011 0.000 0.311 325 W C 2.502 179.058 176.519 0.062 0.000 1.213 325 W CA 1.411 58.720 57.345 -0.059 0.000 1.274 325 W CB -0.388 28.921 29.460 -0.252 0.000 1.148 325 W HN 0.093 nan 8.180 nan 0.000 0.498 326 Y N 0.317 120.797 120.300 0.301 0.000 2.263 326 Y HA -0.117 4.440 4.550 0.011 0.000 0.292 326 Y C 2.465 178.475 175.900 0.185 0.000 1.130 326 Y CA 1.376 59.584 58.100 0.180 0.000 1.179 326 Y CB -1.093 37.448 38.460 0.136 0.000 0.998 326 Y HN -0.103 nan 8.280 nan 0.000 0.532 327 I N -0.030 120.761 120.570 0.367 0.000 2.162 327 I HA -0.284 3.893 4.170 0.011 0.000 0.238 327 I C 1.333 177.600 176.117 0.250 0.000 1.076 327 I CA 1.744 63.233 61.300 0.315 0.000 1.353 327 I CB -0.348 37.904 38.000 0.420 0.000 1.063 327 I HN 0.173 nan 8.210 nan 0.000 0.408 328 N N -0.900 117.972 118.700 0.287 0.000 2.424 328 N HA -0.016 4.730 4.740 0.011 0.000 0.178 328 N C 1.470 177.038 175.510 0.098 0.000 1.060 328 N CA 0.512 53.725 53.050 0.271 0.000 0.901 328 N CB 0.184 38.942 38.487 0.451 0.000 0.979 328 N HN 0.304 nan 8.380 nan 0.000 0.451 329 C N -1.208 118.015 119.300 -0.128 0.000 2.464 329 C HA 0.278 4.744 4.460 0.011 0.000 0.348 329 C C 1.625 176.133 174.990 -0.804 0.000 1.367 329 C CA -0.183 58.436 59.018 -0.665 0.000 2.012 329 C CB -0.717 26.286 27.740 -1.228 0.000 2.434 329 C HN 0.357 nan 8.230 nan 0.000 0.536 330 F N 0.998 120.704 119.950 -0.407 0.000 2.754 330 F HA 0.278 4.811 4.527 0.011 0.000 0.297 330 F C 2.008 177.814 175.800 0.009 0.000 1.122 330 F CA 1.139 59.075 58.000 -0.108 0.000 1.400 330 F CB -0.285 38.714 39.000 -0.002 0.000 1.117 330 F HN 0.354 nan 8.300 nan 0.000 0.587 331 G N 0.227 109.121 108.800 0.157 0.000 2.160 331 G HA2 -0.309 3.658 3.960 0.011 0.000 0.251 331 G HA3 -0.309 3.658 3.960 0.011 0.000 0.251 331 G C 0.014 174.999 174.900 0.142 0.000 1.008 331 G CA -0.051 45.127 45.100 0.131 0.000 0.724 331 G HN 0.296 nan 8.290 nan 0.000 0.514 332 C N 0.692 120.104 119.300 0.186 0.000 2.627 332 C HA 0.314 4.780 4.460 0.011 0.000 0.404 332 C C 1.851 176.917 174.990 0.126 0.000 1.340 332 C CA -0.012 59.093 59.018 0.144 0.000 1.758 332 C CB 0.275 28.100 27.740 0.142 0.000 2.501 332 C HN 0.628 nan 8.230 nan 0.000 0.588 333 E N 0.701 120.952 120.200 0.085 0.000 2.216 333 E HA -0.076 4.281 4.350 0.011 0.000 0.192 333 E C 1.196 177.850 176.600 0.089 0.000 0.988 333 E CA 0.987 57.425 56.400 0.064 0.000 0.834 333 E CB 0.253 29.964 29.700 0.019 0.000 0.772 333 E HN 0.898 nan 8.360 nan 0.000 0.479 334 T N -1.800 112.828 114.554 0.125 0.000 2.940 334 T HA 0.454 4.810 4.350 0.011 0.000 0.288 334 T C -0.735 174.090 174.700 0.207 0.000 1.045 334 T CA -0.995 61.229 62.100 0.207 0.000 1.018 334 T CB 2.221 71.283 68.868 0.323 0.000 1.151 334 T HN -0.156 nan 8.240 nan 0.000 0.529 335 Q N 0.597 120.519 119.800 0.203 0.000 2.275 335 Q HA 0.666 5.013 4.340 0.011 0.000 0.266 335 Q C -1.169 174.734 176.000 -0.162 0.000 1.002 335 Q CA -0.478 55.355 55.803 0.051 0.000 0.761 335 Q CB 1.530 30.301 28.738 0.055 0.000 1.255 335 Q HN 1.128 nan 8.270 nan 0.000 0.446 336 A N 3.041 125.651 122.820 -0.349 0.000 2.310 336 A HA 0.755 5.082 4.320 0.011 0.000 0.299 336 A C -0.889 176.432 177.584 -0.437 0.000 1.147 336 A CA -0.521 51.035 52.037 -0.800 0.000 0.818 336 A CB 1.091 19.519 19.000 -0.954 0.000 1.096 336 A HN 0.565 nan 8.150 nan 0.000 0.495 337 V N 3.636 123.306 119.914 -0.406 0.000 2.376 337 V HA 0.326 4.453 4.120 0.011 0.000 0.287 337 V C -0.601 175.440 176.094 -0.089 0.000 1.015 337 V CA -0.035 62.180 62.300 -0.142 0.000 0.834 337 V CB 0.876 32.666 31.823 -0.055 0.000 1.001 337 V HN 0.710 nan 8.190 nan 0.000 0.428 338 L N 7.655 128.828 121.223 -0.084 0.000 2.408 338 L HA 0.437 4.784 4.340 0.011 0.000 0.257 338 L C -2.477 174.503 176.870 0.183 0.000 1.053 338 L CA -1.385 53.423 54.840 -0.053 0.000 0.922 338 L CB 1.847 43.675 42.059 -0.386 0.000 1.261 338 L HN 0.395 nan 8.230 nan 0.000 0.458 339 P HA 0.077 nan 4.420 nan 0.000 0.287 339 P C -0.959 176.527 177.300 0.310 0.000 1.294 339 P CA -0.337 62.949 63.100 0.311 0.000 0.776 339 P CB 0.837 32.654 31.700 0.196 0.000 0.889 340 Y N 2.398 122.817 120.300 0.198 0.000 2.623 340 Y HA 0.278 4.835 4.550 0.011 0.000 0.341 340 Y C 0.387 176.359 175.900 0.119 0.000 1.292 340 Y CA 0.350 58.550 58.100 0.165 0.000 1.840 340 Y CB -0.404 38.190 38.460 0.222 0.000 1.865 340 Y HN 0.410 nan 8.280 nan 0.000 0.440 341 D N -0.313 120.191 120.400 0.173 0.000 2.688 341 D HA 0.080 4.727 4.640 0.011 0.000 0.210 341 D C 0.583 176.958 176.300 0.124 0.000 1.333 341 D CA -0.286 53.814 54.000 0.167 0.000 0.920 341 D CB 1.031 41.967 40.800 0.226 0.000 1.554 341 D HN 0.061 nan 8.370 nan 0.000 0.579 342 Q N 2.248 122.067 119.800 0.031 0.000 2.124 342 Q HA -0.137 4.209 4.340 0.011 0.000 0.202 342 Q C 0.880 176.941 176.000 0.101 0.000 0.977 342 Q CA 1.743 57.533 55.803 -0.022 0.000 0.850 342 Q CB -0.187 28.438 28.738 -0.188 0.000 0.901 342 Q HN 0.785 nan 8.270 nan 0.000 0.429 343 Y N -0.643 119.749 120.300 0.153 0.000 2.274 343 Y HA -0.130 4.426 4.550 0.011 0.000 0.290 343 Y C 1.134 177.176 175.900 0.236 0.000 1.145 343 Y CA 0.377 58.596 58.100 0.198 0.000 1.203 343 Y CB 0.194 38.751 38.460 0.162 0.000 0.984 343 Y HN 0.057 nan 8.280 nan 0.000 0.533 344 L N 0.733 122.159 121.223 0.339 0.000 2.715 344 L HA -0.010 4.336 4.340 0.011 0.000 0.238 344 L C 1.527 178.553 176.870 0.259 0.000 1.212 344 L CA 0.019 55.004 54.840 0.242 0.000 1.017 344 L CB -0.680 41.451 42.059 0.120 0.000 1.269 344 L HN 0.464 nan 8.230 nan 0.000 0.452 345 H N -1.825 117.337 119.070 0.152 0.000 2.518 345 H HA -0.035 4.527 4.556 0.011 0.000 0.289 345 H C 1.599 177.005 175.328 0.129 0.000 1.051 345 H CA 0.613 56.734 56.048 0.121 0.000 1.280 345 H CB 0.079 29.888 29.762 0.077 0.000 1.380 345 H HN 0.072 nan 8.280 nan 0.000 0.566 346 R N -0.502 119.854 120.500 -0.240 0.000 2.509 346 R HA 0.101 4.447 4.340 0.011 0.000 0.300 346 R C 0.713 177.023 176.300 0.016 0.000 0.985 346 R CA -0.253 55.738 56.100 -0.181 0.000 1.092 346 R CB -0.717 29.363 30.300 -0.367 0.000 1.237 346 R HN 0.341 nan 8.270 nan 0.000 0.546 347 F N 1.882 121.824 119.950 -0.012 0.000 2.102 347 F HA -0.134 4.399 4.527 0.011 0.000 0.298 347 F C 2.127 178.027 175.800 0.167 0.000 1.105 347 F CA 1.733 59.786 58.000 0.089 0.000 1.239 347 F CB -0.074 39.022 39.000 0.160 0.000 0.991 347 F HN 0.096 nan 8.300 nan 0.000 0.474 348 A N 0.180 123.133 122.820 0.220 0.000 1.902 348 A HA -0.057 4.269 4.320 0.011 0.000 0.217 348 A C 2.387 179.978 177.584 0.012 0.000 1.181 348 A CA 1.742 53.835 52.037 0.094 0.000 0.623 348 A CB -1.549 17.508 19.000 0.095 0.000 0.818 348 A HN 0.478 nan 8.150 nan 0.000 0.443 349 A N -1.451 121.375 122.820 0.009 0.000 1.933 349 A HA -0.124 4.202 4.320 0.011 0.000 0.218 349 A C 2.120 179.633 177.584 -0.119 0.000 1.175 349 A CA 1.695 53.710 52.037 -0.038 0.000 0.628 349 A CB -0.823 18.157 19.000 -0.033 0.000 0.814 349 A HN 0.736 nan 8.150 nan 0.000 0.444 350 Y N -0.648 119.476 120.300 -0.292 0.000 2.097 350 Y HA -0.224 4.332 4.550 0.011 0.000 0.282 350 Y C 1.859 177.417 175.900 -0.570 0.000 1.152 350 Y CA 2.048 59.860 58.100 -0.479 0.000 1.136 350 Y CB -0.496 37.568 38.460 -0.661 0.000 0.975 350 Y HN 0.285 nan 8.280 nan 0.000 0.498 351 F N 0.141 119.877 119.950 -0.358 0.000 2.558 351 F HA -0.097 4.437 4.527 0.011 0.000 0.298 351 F C 2.565 178.179 175.800 -0.310 0.000 1.119 351 F CA 1.094 58.849 58.000 -0.409 0.000 1.451 351 F CB -0.313 38.431 39.000 -0.425 0.000 1.091 351 F HN 0.150 nan 8.300 nan 0.000 0.563 352 Q N 0.468 120.200 119.800 -0.114 0.000 2.124 352 Q HA -0.278 4.069 4.340 0.011 0.000 0.202 352 Q C 2.257 178.176 176.000 -0.136 0.000 0.977 352 Q CA 1.783 57.541 55.803 -0.075 0.000 0.850 352 Q CB -0.065 28.644 28.738 -0.049 0.000 0.901 352 Q HN 0.536 nan 8.270 nan 0.000 0.429 353 Q N -1.140 118.504 119.800 -0.260 0.000 2.033 353 Q HA -0.073 4.273 4.340 0.011 0.000 0.196 353 Q C 1.993 177.788 176.000 -0.342 0.000 0.970 353 Q CA 1.228 56.852 55.803 -0.297 0.000 0.828 353 Q CB -0.319 28.190 28.738 -0.381 0.000 0.895 353 Q HN 0.459 nan 8.270 nan 0.000 0.440 354 G N 1.027 109.503 108.800 -0.539 0.000 2.469 354 G HA2 -0.318 3.648 3.960 0.011 0.000 0.219 354 G HA3 -0.318 3.648 3.960 0.011 0.000 0.219 354 G C 1.234 176.036 174.900 -0.164 0.000 1.150 354 G CA 1.206 46.013 45.100 -0.488 0.000 0.763 354 G HN 0.436 nan 8.290 nan 0.000 0.561 355 D N 0.123 120.499 120.400 -0.039 0.000 2.146 355 D HA 0.022 4.668 4.640 0.011 0.000 0.209 355 D C 2.762 179.076 176.300 0.023 0.000 0.973 355 D CA 0.595 54.620 54.000 0.042 0.000 0.860 355 D CB -0.160 40.674 40.800 0.056 0.000 1.015 355 D HN 0.288 nan 8.370 nan 0.000 0.465 356 M N 0.432 120.027 119.600 -0.010 0.000 2.159 356 M HA -0.093 4.393 4.480 0.011 0.000 0.263 356 M C 2.167 178.456 176.300 -0.019 0.000 1.063 356 M CA 1.119 56.415 55.300 -0.006 0.000 1.110 356 M CB -0.169 32.421 32.600 -0.018 0.000 1.374 356 M HN 0.031 nan 8.290 nan 0.000 0.411 357 E N -0.136 120.032 120.200 -0.054 0.000 2.208 357 E HA -0.102 4.255 4.350 0.011 0.000 0.193 357 E C 1.753 178.342 176.600 -0.019 0.000 0.988 357 E CA 0.963 57.334 56.400 -0.048 0.000 0.828 357 E CB 0.290 29.936 29.700 -0.090 0.000 0.763 357 E HN 0.389 nan 8.360 nan 0.000 0.478 358 S N 0.504 116.195 115.700 -0.015 0.000 2.348 358 S HA 0.001 4.478 4.470 0.011 0.000 0.219 358 S C 1.304 175.916 174.600 0.021 0.000 1.033 358 S CA 0.870 59.069 58.200 -0.001 0.000 0.974 358 S CB -0.097 63.118 63.200 0.024 0.000 0.868 358 S HN 0.339 nan 8.310 nan 0.000 0.459 359 N N 0.619 119.363 118.700 0.073 0.000 2.214 359 N HA 0.167 4.914 4.740 0.011 0.000 0.214 359 N C 0.353 175.895 175.510 0.053 0.000 1.132 359 N CA -0.250 52.879 53.050 0.131 0.000 0.856 359 N CB 0.619 39.300 38.487 0.324 0.000 1.020 359 N HN 0.244 nan 8.380 nan 0.000 0.509 360 G N 1.354 110.172 108.800 0.030 0.000 3.209 360 G HA2 0.130 4.097 3.960 0.011 0.000 0.274 360 G HA3 0.130 4.097 3.960 0.011 0.000 0.274 360 G C -0.052 174.872 174.900 0.039 0.000 0.850 360 G CA -0.056 45.047 45.100 0.004 0.000 1.907 360 G HN -0.004 nan 8.290 nan 0.000 0.591 361 K N 0.581 121.002 120.400 0.036 0.000 2.444 361 K HA 0.337 4.664 4.320 0.011 0.000 0.252 361 K C -0.543 176.127 176.600 0.116 0.000 0.993 361 K CA -1.004 55.346 56.287 0.105 0.000 0.847 361 K CB 1.973 34.521 32.500 0.080 0.000 1.340 361 K HN 0.447 nan 8.250 nan 0.000 0.446 362 Y N -1.376 118.887 120.300 -0.062 0.000 2.728 362 Y HA 0.436 4.993 4.550 0.012 0.000 0.256 362 Y C -0.314 175.536 175.900 -0.084 0.000 1.112 362 Y CA -0.604 57.430 58.100 -0.109 0.000 1.240 362 Y CB 0.845 39.243 38.460 -0.103 0.000 1.337 362 Y HN 0.150 nan 8.280 nan 0.000 0.559 363 I N 3.015 123.323 120.570 -0.436 0.000 2.406 363 I HA 0.273 4.450 4.170 0.011 0.000 0.290 363 I C 0.477 176.506 176.117 -0.146 0.000 0.999 363 I CA -0.769 60.297 61.300 -0.390 0.000 1.124 363 I CB 1.689 39.415 38.000 -0.458 0.000 1.289 363 I HN 0.320 nan 8.210 nan 0.000 0.441 364 T N 2.334 116.834 114.554 -0.091 0.000 2.816 364 T HA 0.288 4.645 4.350 0.011 0.000 0.282 364 T C 1.034 175.737 174.700 0.005 0.000 0.993 364 T CA -0.522 61.574 62.100 -0.007 0.000 0.994 364 T CB 1.249 70.129 68.868 0.020 0.000 1.025 364 T HN 0.543 nan 8.240 nan 0.000 0.529 365 K N 0.337 120.762 120.400 0.040 0.000 2.360 365 K HA -0.062 4.265 4.320 0.011 0.000 0.201 365 K C 2.254 178.871 176.600 0.029 0.000 1.046 365 K CA 1.241 57.557 56.287 0.049 0.000 0.945 365 K CB -0.180 32.361 32.500 0.069 0.000 0.750 365 K HN 0.754 nan 8.250 nan 0.000 0.464 366 S N -1.157 114.553 115.700 0.016 0.000 2.575 366 S HA 0.128 4.604 4.470 0.011 0.000 0.215 366 S C 1.348 175.942 174.600 -0.011 0.000 0.966 366 S CA 0.360 58.565 58.200 0.008 0.000 0.911 366 S CB 0.538 63.745 63.200 0.011 0.000 0.780 366 S HN 0.393 nan 8.310 nan 0.000 0.514 367 G N 0.654 109.437 108.800 -0.028 0.000 2.175 367 G HA2 -0.093 3.873 3.960 0.011 0.000 0.244 367 G HA3 -0.093 3.873 3.960 0.011 0.000 0.244 367 G C 0.261 175.118 174.900 -0.071 0.000 0.982 367 G CA -0.113 44.954 45.100 -0.056 0.000 0.641 367 G HN 1.252 nan 8.290 nan 0.000 0.527 368 A N 0.107 122.894 122.820 -0.054 0.000 2.371 368 A HA 0.723 5.049 4.320 0.011 0.000 0.257 368 A C 0.730 178.259 177.584 -0.092 0.000 1.089 368 A CA 0.281 52.286 52.037 -0.052 0.000 0.794 368 A CB 0.397 19.385 19.000 -0.020 0.000 1.029 368 A HN 0.671 nan 8.150 nan 0.000 0.488 369 R N 1.508 121.958 120.500 -0.082 0.000 2.340 369 R HA 0.388 4.735 4.340 0.011 0.000 0.300 369 R C 0.014 176.259 176.300 -0.092 0.000 1.069 369 R CA -0.347 55.694 56.100 -0.097 0.000 0.984 369 R CB 0.436 30.730 30.300 -0.010 0.000 1.003 369 R HN 0.757 nan 8.270 nan 0.000 0.459 370 V N 1.758 121.578 119.914 -0.157 0.000 2.872 370 V HA 0.074 4.201 4.120 0.011 0.000 0.307 370 V C 0.201 176.140 176.094 -0.258 0.000 1.072 370 V CA -0.131 61.971 62.300 -0.330 0.000 1.148 370 V CB 1.157 32.600 31.823 -0.633 0.000 0.954 370 V HN 0.961 nan 8.190 nan 0.000 0.490 371 D N 1.352 121.610 120.400 -0.237 0.000 2.670 371 D HA 0.229 4.875 4.640 0.011 0.000 0.255 371 D C 0.002 176.300 176.300 -0.003 0.000 1.286 371 D CA 0.060 54.019 54.000 -0.068 0.000 0.830 371 D CB -0.502 40.314 40.800 0.027 0.000 1.065 371 D HN 1.034 nan 8.370 nan 0.000 0.486 372 H N -3.463 115.588 119.070 -0.032 0.000 2.990 372 H HA 0.534 5.097 4.556 0.011 0.000 0.343 372 H C -0.586 174.664 175.328 -0.129 0.000 1.270 372 H CA -1.012 55.011 56.048 -0.041 0.000 1.118 372 H CB 0.489 30.222 29.762 -0.048 0.000 1.861 372 H HN -0.302 nan 8.280 nan 0.000 0.544 373 Q N 0.624 120.450 119.800 0.043 0.000 2.394 373 Q HA 0.311 4.657 4.340 0.011 0.000 0.248 373 Q C 0.231 175.968 176.000 -0.438 0.000 0.992 373 Q CA 0.594 56.319 55.803 -0.129 0.000 0.888 373 Q CB 1.635 30.354 28.738 -0.032 0.000 1.257 373 Q HN 0.990 nan 8.270 nan 0.000 0.462 374 T N -2.804 111.352 114.554 -0.664 0.000 2.586 374 T HA 0.545 4.902 4.350 0.011 0.000 0.224 374 T C 0.546 174.610 174.700 -1.060 0.000 0.878 374 T CA -0.280 60.975 62.100 -1.407 0.000 1.153 374 T CB -0.361 68.018 68.868 -0.815 0.000 1.777 374 T HN 0.600 nan 8.240 nan 0.000 0.522 375 G N 3.240 111.661 108.800 -0.632 0.000 2.349 375 G HA2 0.426 4.392 3.960 0.011 0.000 0.232 375 G HA3 0.426 4.392 3.960 0.011 0.000 0.232 375 G C -2.175 172.724 174.900 -0.001 0.000 1.240 375 G CA -0.566 44.496 45.100 -0.064 0.000 0.870 375 G HN 0.701 nan 8.290 nan 0.000 0.528 376 P HA 0.388 nan 4.420 nan 0.000 0.280 376 P C -0.249 177.103 177.300 0.087 0.000 1.272 376 P CA -0.783 62.381 63.100 0.107 0.000 0.819 376 P CB 1.539 33.341 31.700 0.169 0.000 1.122 377 I N 0.674 121.297 120.570 0.088 0.000 2.337 377 I HA 0.134 4.310 4.170 0.011 0.000 0.291 377 I C 0.284 176.517 176.117 0.192 0.000 1.046 377 I CA -0.589 60.765 61.300 0.090 0.000 1.324 377 I CB 0.927 38.949 38.000 0.036 0.000 1.409 377 I HN -0.029 nan 8.210 nan 0.000 0.494 378 V N 7.598 127.603 119.914 0.152 0.000 2.481 378 V HA 0.468 4.595 4.120 0.011 0.000 0.286 378 V C -0.326 175.904 176.094 0.226 0.000 1.042 378 V CA -0.226 62.157 62.300 0.138 0.000 0.928 378 V CB 1.163 33.004 31.823 0.031 0.000 0.986 378 V HN 0.816 nan 8.190 nan 0.000 0.462 379 W N 2.916 124.173 121.300 -0.071 0.000 2.959 379 W HA 0.824 5.492 4.660 0.013 0.000 0.358 379 W C -0.281 176.189 176.519 -0.081 0.000 1.228 379 W CA -0.577 56.714 57.345 -0.090 0.000 1.183 379 W CB 1.169 30.542 29.460 -0.144 0.000 1.467 379 W HN 1.075 nan 8.180 nan 0.000 0.578 380 G N 0.733 109.496 108.800 -0.061 0.000 2.353 380 G HA2 0.341 4.307 3.960 0.011 0.000 0.308 380 G HA3 0.341 4.307 3.960 0.011 0.000 0.308 380 G C -1.997 172.984 174.900 0.136 0.000 1.418 380 G CA -0.914 44.067 45.100 -0.198 0.000 0.966 380 G HN 0.564 nan 8.290 nan 0.000 0.638 381 E N -0.094 120.275 120.200 0.281 0.000 2.383 381 E HA 0.527 4.883 4.350 0.011 0.000 0.275 381 E C -2.686 174.008 176.600 0.157 0.000 0.918 381 E CA -1.508 55.051 56.400 0.265 0.000 0.764 381 E CB 2.785 32.703 29.700 0.363 0.000 1.252 381 E HN 0.318 nan 8.360 nan 0.000 0.449 382 P HA 0.053 nan 4.420 nan 0.000 0.268 382 P C 0.356 177.537 177.300 -0.199 0.000 1.204 382 P CA 0.083 63.189 63.100 0.010 0.000 0.768 382 P CB 0.358 32.094 31.700 0.060 0.000 0.842 383 G N 1.792 110.290 108.800 -0.505 0.000 2.744 383 G HA2 0.062 4.029 3.960 0.011 0.000 0.257 383 G HA3 0.062 4.029 3.960 0.011 0.000 0.257 383 G C 1.325 175.745 174.900 -0.799 0.000 1.244 383 G CA 0.464 44.775 45.100 -1.316 0.000 0.916 383 G HN 0.638 nan 8.290 nan 0.000 0.564 384 T N -0.864 113.278 114.554 -0.687 0.000 2.996 384 T HA -0.430 3.927 4.350 0.011 0.000 0.248 384 T C 1.926 176.421 174.700 -0.341 0.000 1.016 384 T CA 2.498 64.344 62.100 -0.424 0.000 1.171 384 T CB -0.811 67.990 68.868 -0.113 0.000 0.811 384 T HN 0.492 nan 8.240 nan 0.000 0.502 385 N N 2.260 120.834 118.700 -0.211 0.000 2.020 385 N HA -0.078 4.668 4.740 0.011 0.000 0.200 385 N C 2.301 177.654 175.510 -0.262 0.000 1.054 385 N CA 2.111 55.084 53.050 -0.128 0.000 0.874 385 N CB -1.513 36.934 38.487 -0.067 0.000 1.075 385 N HN 0.682 nan 8.380 nan 0.000 0.446 386 G N 0.459 109.074 108.800 -0.308 0.000 2.507 386 G HA2 -0.345 3.622 3.960 0.011 0.000 0.221 386 G HA3 -0.345 3.622 3.960 0.011 0.000 0.221 386 G C 1.377 175.613 174.900 -1.106 0.000 1.119 386 G CA 1.149 45.907 45.100 -0.570 0.000 0.751 386 G HN 0.498 nan 8.290 nan 0.000 0.574 387 Q N -0.515 118.557 119.800 -1.213 0.000 2.170 387 Q HA -0.136 4.210 4.340 0.011 0.000 0.203 387 Q C 1.408 176.731 176.000 -1.127 0.000 0.976 387 Q CA 0.978 55.615 55.803 -1.944 0.000 0.858 387 Q CB -0.067 27.849 28.738 -1.371 0.000 0.907 387 Q HN 0.614 nan 8.270 nan 0.000 0.433 388 H N -1.627 117.144 119.070 -0.499 0.000 2.505 388 H HA 0.320 4.883 4.556 0.011 0.000 0.289 388 H C 0.466 175.679 175.328 -0.192 0.000 1.052 388 H CA 0.606 56.497 56.048 -0.262 0.000 1.156 388 H CB 0.875 30.529 29.762 -0.180 0.000 1.507 388 H HN 0.360 nan 8.280 nan 0.000 0.548 389 A N 0.333 123.019 122.820 -0.223 0.000 1.989 389 A HA 0.125 4.452 4.320 0.011 0.000 0.201 389 A C 0.991 178.618 177.584 0.073 0.000 1.720 389 A CA 0.081 52.078 52.037 -0.068 0.000 0.956 389 A CB -0.148 18.835 19.000 -0.029 0.000 1.094 389 A HN 0.202 nan 8.150 nan 0.000 0.561 390 F N -3.478 116.631 119.950 0.266 0.000 2.729 390 F HA 0.494 5.027 4.527 0.010 0.000 0.315 390 F C 0.980 177.035 175.800 0.425 0.000 1.102 390 F CA -0.945 57.242 58.000 0.313 0.000 1.204 390 F CB -0.240 38.962 39.000 0.338 0.000 1.052 390 F HN 0.069 nan 8.300 nan 0.000 0.551 391 Y N 1.584 121.950 120.300 0.110 0.000 2.421 391 Y HA -0.132 4.425 4.550 0.010 0.000 0.292 391 Y C 2.634 178.752 175.900 0.364 0.000 1.136 391 Y CA 1.285 59.550 58.100 0.276 0.000 1.255 391 Y CB -0.779 37.803 38.460 0.204 0.000 0.991 391 Y HN 0.319 nan 8.280 nan 0.000 0.552 392 Q N 0.691 120.741 119.800 0.416 0.000 2.112 392 Q HA -0.219 4.128 4.340 0.011 0.000 0.206 392 Q C 2.191 178.353 176.000 0.270 0.000 0.987 392 Q CA 1.964 57.951 55.803 0.306 0.000 0.858 392 Q CB -0.775 28.085 28.738 0.204 0.000 0.905 392 Q HN 0.611 nan 8.270 nan 0.000 0.420 393 L N -0.697 120.685 121.223 0.265 0.000 2.109 393 L HA -0.015 4.331 4.340 0.011 0.000 0.207 393 L C 2.103 179.081 176.870 0.180 0.000 1.086 393 L CA 0.913 55.867 54.840 0.192 0.000 0.760 393 L CB -0.128 42.032 42.059 0.168 0.000 0.910 393 L HN 0.338 nan 8.230 nan 0.000 0.437 394 I N -0.904 119.799 120.570 0.220 0.000 2.252 394 I HA -0.313 3.864 4.170 0.011 0.000 0.245 394 I C 2.153 178.284 176.117 0.023 0.000 1.102 394 I CA 1.387 62.742 61.300 0.091 0.000 1.385 394 I CB -0.495 37.491 38.000 -0.022 0.000 1.064 394 I HN 0.346 nan 8.210 nan 0.000 0.414 395 H N 0.162 119.333 119.070 0.169 0.000 2.372 395 H HA 0.000 4.563 4.556 0.011 0.000 0.301 395 H C 1.257 176.643 175.328 0.097 0.000 1.065 395 H CA 1.046 57.215 56.048 0.202 0.000 1.364 395 H CB 0.259 30.238 29.762 0.361 0.000 1.406 395 H HN 0.298 nan 8.280 nan 0.000 0.521 396 Q N -0.022 119.874 119.800 0.160 0.000 2.110 396 Q HA 0.225 4.572 4.340 0.011 0.000 0.232 396 Q C 0.408 176.426 176.000 0.030 0.000 0.810 396 Q CA -0.277 55.536 55.803 0.017 0.000 1.083 396 Q CB 1.975 30.648 28.738 -0.109 0.000 1.193 396 Q HN 0.323 nan 8.270 nan 0.000 0.471 397 G N 0.433 109.269 108.800 0.060 0.000 2.510 397 G HA2 0.183 4.150 3.960 0.011 0.000 0.280 397 G HA3 0.183 4.150 3.960 0.011 0.000 0.280 397 G C 0.647 175.565 174.900 0.030 0.000 1.386 397 G CA 0.004 45.132 45.100 0.046 0.000 1.047 397 G HN 0.190 nan 8.290 nan 0.000 0.527 398 T N -2.652 111.917 114.554 0.023 0.000 3.174 398 T HA 0.428 4.785 4.350 0.011 0.000 0.269 398 T C 0.207 174.921 174.700 0.024 0.000 1.017 398 T CA -0.264 61.848 62.100 0.020 0.000 0.899 398 T CB 0.134 69.010 68.868 0.013 0.000 1.077 398 T HN 0.185 nan 8.240 nan 0.000 0.552 399 K N 1.415 121.830 120.400 0.026 0.000 2.316 399 K HA 0.598 4.924 4.320 0.011 0.000 0.251 399 K C -0.810 175.805 176.600 0.026 0.000 0.934 399 K CA -0.669 55.634 56.287 0.027 0.000 0.802 399 K CB 2.187 34.698 32.500 0.017 0.000 1.171 399 K HN 0.234 nan 8.250 nan 0.000 0.426 400 M N 4.472 124.085 119.600 0.022 0.000 2.144 400 M HA 0.437 4.924 4.480 0.011 0.000 0.356 400 M C -1.258 175.026 176.300 -0.026 0.000 1.217 400 M CA -0.209 55.079 55.300 -0.020 0.000 1.087 400 M CB 0.342 32.923 32.600 -0.031 0.000 1.609 400 M HN 0.567 nan 8.290 nan 0.000 0.467 401 I N 7.507 128.045 120.570 -0.053 0.000 2.493 401 I HA 0.368 4.545 4.170 0.011 0.000 0.279 401 I C -2.329 173.719 176.117 -0.114 0.000 1.045 401 I CA -1.938 59.355 61.300 -0.013 0.000 1.106 401 I CB 1.590 39.655 38.000 0.109 0.000 1.216 401 I HN 0.487 nan 8.210 nan 0.000 0.459 402 P HA 0.096 nan 4.420 nan 0.000 0.268 402 P C -0.926 176.312 177.300 -0.102 0.000 1.204 402 P CA -0.070 62.868 63.100 -0.271 0.000 0.768 402 P CB 0.498 32.021 31.700 -0.295 0.000 0.842 403 C N 2.674 121.954 119.300 -0.033 0.000 2.498 403 C HA 0.385 4.852 4.460 0.011 0.000 0.316 403 C C -0.429 174.658 174.990 0.163 0.000 1.209 403 C CA -0.325 58.701 59.018 0.013 0.000 1.518 403 C CB 1.407 29.203 27.740 0.093 0.000 2.147 403 C HN 0.493 nan 8.230 nan 0.000 0.483 404 D N 1.807 122.275 120.400 0.113 0.000 2.349 404 D HA 0.500 5.147 4.640 0.011 0.000 0.232 404 D C -0.794 175.659 176.300 0.255 0.000 1.071 404 D CA 0.052 54.205 54.000 0.255 0.000 0.832 404 D CB 0.596 41.561 40.800 0.275 0.000 1.086 404 D HN 0.254 nan 8.370 nan 0.000 0.504 405 F N 2.377 122.433 119.950 0.178 0.000 2.415 405 F HA 0.458 4.992 4.527 0.011 0.000 0.348 405 F C -0.104 176.010 175.800 0.524 0.000 1.119 405 F CA -0.676 57.474 58.000 0.249 0.000 1.069 405 F CB 0.835 39.717 39.000 -0.198 0.000 1.124 405 F HN 0.064 nan 8.300 nan 0.000 0.472 406 L N 5.055 126.708 121.223 0.716 0.000 2.370 406 L HA 0.731 5.078 4.340 0.011 0.000 0.266 406 L C -0.902 176.102 176.870 0.223 0.000 1.002 406 L CA -0.580 54.577 54.840 0.529 0.000 0.818 406 L CB 2.426 44.779 42.059 0.489 0.000 1.325 406 L HN 0.567 nan 8.230 nan 0.000 0.418 407 I N 2.192 122.540 120.570 -0.369 0.000 2.739 407 I HA 0.354 4.530 4.170 0.011 0.000 0.287 407 I C -2.800 172.620 176.117 -1.163 0.000 1.558 407 I CA -1.348 59.555 61.300 -0.661 0.000 1.050 407 I CB 3.054 40.459 38.000 -0.992 0.000 1.432 407 I HN 0.370 nan 8.210 nan 0.000 0.432 408 P HA 0.161 nan 4.420 nan 0.000 0.276 408 P C 0.669 177.874 177.300 -0.157 0.000 1.230 408 P CA -0.174 62.624 63.100 -0.502 0.000 0.776 408 P CB 1.410 33.131 31.700 0.035 0.000 0.888 409 V N 2.599 122.431 119.914 -0.137 0.000 2.343 409 V HA -0.187 3.939 4.120 0.011 0.000 0.247 409 V C 1.176 177.355 176.094 0.142 0.000 1.051 409 V CA 1.792 64.090 62.300 -0.004 0.000 1.036 409 V CB -0.903 30.901 31.823 -0.033 0.000 0.654 409 V HN 0.579 nan 8.190 nan 0.000 0.451 410 Q N 0.005 119.826 119.800 0.035 0.000 2.278 410 Q HA 0.370 4.717 4.340 0.011 0.000 0.257 410 Q C -0.047 175.831 176.000 -0.202 0.000 0.928 410 Q CA -0.096 55.672 55.803 -0.058 0.000 0.932 410 Q CB 1.764 30.494 28.738 -0.013 0.000 1.221 410 Q HN 0.369 nan 8.270 nan 0.000 0.434 411 T N 1.017 115.279 114.554 -0.488 0.000 2.913 411 T HA 0.060 4.416 4.350 0.011 0.000 0.287 411 T C 0.984 175.572 174.700 -0.187 0.000 1.008 411 T CA -0.407 61.416 62.100 -0.462 0.000 1.067 411 T CB 0.894 69.344 68.868 -0.697 0.000 0.996 411 T HN 0.507 nan 8.240 nan 0.000 0.513 412 Q N 1.651 121.403 119.800 -0.080 0.000 2.378 412 Q HA 0.011 4.357 4.340 0.011 0.000 0.205 412 Q C -0.106 175.603 176.000 -0.487 0.000 0.954 412 Q CA 1.122 56.806 55.803 -0.199 0.000 0.901 412 Q CB 0.032 28.740 28.738 -0.051 0.000 0.981 412 Q HN 0.703 nan 8.270 nan 0.000 0.483 413 H N 0.294 119.331 119.070 -0.054 0.000 2.448 413 H HA 0.177 4.740 4.556 0.011 0.000 0.237 413 H C -2.092 173.183 175.328 -0.088 0.000 1.391 413 H CA -1.567 54.439 56.048 -0.070 0.000 1.477 413 H CB 0.793 30.506 29.762 -0.081 0.000 1.520 413 H HN -0.025 nan 8.280 nan 0.000 0.502 414 P HA 0.020 nan 4.420 nan 0.000 0.225 414 P C 0.306 177.614 177.300 0.014 0.000 1.768 414 P CA -0.066 63.029 63.100 -0.008 0.000 0.943 414 P CB -0.613 31.069 31.700 -0.030 0.000 1.936 415 I N -2.955 117.619 120.570 0.007 0.000 3.004 415 I HA 0.256 4.433 4.170 0.011 0.000 0.287 415 I C 0.763 176.906 176.117 0.043 0.000 1.144 415 I CA -0.724 60.569 61.300 -0.012 0.000 1.353 415 I CB 0.122 38.059 38.000 -0.106 0.000 1.417 415 I HN -0.076 nan 8.210 nan 0.000 0.602 416 R N 1.749 122.279 120.500 0.050 0.000 3.516 416 R HA -0.208 4.139 4.340 0.011 0.000 0.271 416 R C 0.053 176.397 176.300 0.075 0.000 1.098 416 R CA 1.040 57.192 56.100 0.087 0.000 0.732 416 R CB -2.080 28.330 30.300 0.183 0.000 1.152 416 R HN 0.927 nan 8.270 nan 0.000 0.455 417 K N -1.397 119.033 120.400 0.049 0.000 3.035 417 K HA -0.286 4.040 4.320 0.011 0.000 0.262 417 K C 0.844 177.476 176.600 0.054 0.000 1.024 417 K CA 1.088 57.399 56.287 0.040 0.000 0.748 417 K CB -1.630 30.888 32.500 0.030 0.000 1.247 417 K HN 0.875 nan 8.250 nan 0.000 0.482 418 G N -0.285 108.560 108.800 0.075 0.000 2.176 418 G HA2 -0.351 3.615 3.960 0.011 0.000 0.253 418 G HA3 -0.351 3.615 3.960 0.011 0.000 0.253 418 G C 0.612 175.590 174.900 0.130 0.000 0.979 418 G CA 0.380 45.542 45.100 0.103 0.000 0.641 418 G HN 0.277 nan 8.290 nan 0.000 0.530 419 L N 0.441 121.741 121.223 0.127 0.000 2.012 419 L HA 0.059 4.406 4.340 0.011 0.000 0.210 419 L C 2.444 179.375 176.870 0.101 0.000 1.073 419 L CA 3.227 58.124 54.840 0.095 0.000 0.748 419 L CB -0.662 41.439 42.059 0.070 0.000 0.891 419 L HN 0.414 nan 8.230 nan 0.000 0.431 420 H N -2.049 117.055 119.070 0.057 0.000 2.321 420 H HA -0.175 4.387 4.556 0.011 0.000 0.300 420 H C 2.202 177.592 175.328 0.104 0.000 1.087 420 H CA 2.062 58.149 56.048 0.066 0.000 1.319 420 H CB -0.306 29.492 29.762 0.060 0.000 1.379 420 H HN 0.503 nan 8.280 nan 0.000 0.501 421 H N 0.541 119.701 119.070 0.149 0.000 2.423 421 H HA -0.045 4.518 4.556 0.011 0.000 0.297 421 H C 2.222 177.581 175.328 0.052 0.000 1.075 421 H CA 1.526 57.625 56.048 0.085 0.000 1.342 421 H CB 0.152 29.948 29.762 0.057 0.000 1.395 421 H HN 0.255 nan 8.280 nan 0.000 0.530 422 K N 0.174 120.609 120.400 0.058 0.000 2.057 422 K HA -0.104 4.223 4.320 0.011 0.000 0.207 422 K C 1.968 178.546 176.600 -0.038 0.000 1.049 422 K CA 1.746 58.025 56.287 -0.014 0.000 0.931 422 K CB -0.130 32.378 32.500 0.014 0.000 0.714 422 K HN 0.324 nan 8.250 nan 0.000 0.440 423 I N 1.006 121.567 120.570 -0.014 0.000 2.315 423 I HA -0.242 3.935 4.170 0.011 0.000 0.248 423 I C 2.327 178.453 176.117 0.016 0.000 1.117 423 I CA 0.444 61.737 61.300 -0.011 0.000 1.404 423 I CB -0.184 37.798 38.000 -0.030 0.000 1.071 423 I HN 0.212 nan 8.210 nan 0.000 0.419 424 L N 0.770 122.002 121.223 0.015 0.000 2.017 424 L HA -0.173 4.174 4.340 0.011 0.000 0.208 424 L C 2.309 179.201 176.870 0.035 0.000 1.073 424 L CA 1.830 56.715 54.840 0.075 0.000 0.745 424 L CB -0.397 41.700 42.059 0.062 0.000 0.894 424 L HN 0.110 nan 8.230 nan 0.000 0.432 425 L N -0.741 120.387 121.223 -0.158 0.000 2.046 425 L HA -0.181 4.166 4.340 0.011 0.000 0.208 425 L C 2.682 179.540 176.870 -0.019 0.000 1.077 425 L CA 1.224 55.968 54.840 -0.160 0.000 0.747 425 L CB -0.904 41.003 42.059 -0.253 0.000 0.896 425 L HN 0.367 nan 8.230 nan 0.000 0.432 426 A N -0.056 122.749 122.820 -0.026 0.000 1.940 426 A HA -0.225 4.101 4.320 0.011 0.000 0.219 426 A C 2.098 179.684 177.584 0.003 0.000 1.176 426 A CA 1.930 53.957 52.037 -0.016 0.000 0.631 426 A CB -0.608 18.379 19.000 -0.022 0.000 0.814 426 A HN 0.485 nan 8.150 nan 0.000 0.446 427 N N -1.410 117.322 118.700 0.054 0.000 2.216 427 N HA -0.109 4.638 4.740 0.011 0.000 0.183 427 N C 1.601 177.130 175.510 0.032 0.000 1.017 427 N CA 1.426 54.533 53.050 0.095 0.000 0.861 427 N CB -0.334 38.278 38.487 0.208 0.000 0.986 427 N HN 0.568 nan 8.380 nan 0.000 0.428 428 F N 2.255 122.049 119.950 -0.260 0.000 2.095 428 F HA -0.132 4.402 4.527 0.011 0.000 0.298 428 F C 2.080 177.649 175.800 -0.385 0.000 1.104 428 F CA 1.239 58.865 58.000 -0.623 0.000 1.232 428 F CB -0.296 38.364 39.000 -0.567 0.000 0.987 428 F HN -0.092 nan 8.300 nan 0.000 0.475 429 L N -0.079 121.071 121.223 -0.122 0.000 2.044 429 L HA -0.096 4.251 4.340 0.011 0.000 0.205 429 L C 2.843 179.549 176.870 -0.273 0.000 1.075 429 L CA 1.082 55.795 54.840 -0.211 0.000 0.747 429 L CB -1.228 40.795 42.059 -0.059 0.000 0.903 429 L HN 0.219 nan 8.230 nan 0.000 0.435 430 A N -0.811 121.904 122.820 -0.176 0.000 1.933 430 A HA -0.200 4.127 4.320 0.011 0.000 0.218 430 A C 2.285 179.773 177.584 -0.160 0.000 1.175 430 A CA 1.227 53.174 52.037 -0.150 0.000 0.628 430 A CB -0.336 18.612 19.000 -0.087 0.000 0.814 430 A HN 0.377 nan 8.150 nan 0.000 0.444 431 Q N -0.338 119.365 119.800 -0.162 0.000 2.050 431 Q HA -0.145 4.202 4.340 0.011 0.000 0.202 431 Q C 2.453 178.265 176.000 -0.314 0.000 0.980 431 Q CA 2.306 58.065 55.803 -0.073 0.000 0.840 431 Q CB -1.019 27.829 28.738 0.183 0.000 0.898 431 Q HN 0.873 nan 8.270 nan 0.000 0.424 432 T N -1.734 112.407 114.554 -0.689 0.000 2.867 432 T HA -0.110 4.246 4.350 0.011 0.000 0.268 432 T C 1.698 176.168 174.700 -0.383 0.000 1.057 432 T CA 1.305 62.995 62.100 -0.683 0.000 1.136 432 T CB -0.044 68.313 68.868 -0.850 0.000 0.874 432 T HN 0.323 nan 8.240 nan 0.000 0.466 433 E N 1.379 121.381 120.200 -0.331 0.000 2.072 433 E HA -0.061 4.296 4.350 0.011 0.000 0.191 433 E C 2.447 178.935 176.600 -0.187 0.000 0.985 433 E CA 0.984 57.227 56.400 -0.262 0.000 0.801 433 E CB -0.405 29.153 29.700 -0.236 0.000 0.750 433 E HN 0.651 nan 8.360 nan 0.000 0.452 434 A N 0.997 123.735 122.820 -0.136 0.000 1.930 434 A HA -0.109 4.218 4.320 0.011 0.000 0.217 434 A C 2.188 179.787 177.584 0.024 0.000 1.175 434 A CA 0.864 52.857 52.037 -0.074 0.000 0.627 434 A CB -0.570 18.396 19.000 -0.056 0.000 0.815 434 A HN 0.289 nan 8.150 nan 0.000 0.443 435 L N -1.031 120.197 121.223 0.008 0.000 2.083 435 L HA -0.186 4.160 4.340 0.011 0.000 0.209 435 L C 2.837 179.691 176.870 -0.028 0.000 1.083 435 L CA 1.427 56.245 54.840 -0.037 0.000 0.752 435 L CB -0.391 41.560 42.059 -0.179 0.000 0.899 435 L HN 0.496 nan 8.230 nan 0.000 0.433 436 M N 0.152 119.707 119.600 -0.075 0.000 2.134 436 M HA -0.179 4.308 4.480 0.011 0.000 0.262 436 M C 2.235 178.523 176.300 -0.020 0.000 1.076 436 M CA 1.849 57.117 55.300 -0.054 0.000 1.143 436 M CB -0.352 32.162 32.600 -0.143 0.000 1.346 436 M HN 0.089 nan 8.290 nan 0.000 0.421 437 K N -0.461 119.905 120.400 -0.057 0.000 2.076 437 K HA 0.072 4.398 4.320 0.011 0.000 0.204 437 K C 1.014 177.624 176.600 0.017 0.000 1.051 437 K CA 1.072 57.339 56.287 -0.033 0.000 0.949 437 K CB -0.207 32.243 32.500 -0.084 0.000 0.726 437 K HN 0.587 nan 8.250 nan 0.000 0.443 438 G N 1.103 109.919 108.800 0.028 0.000 2.645 438 G HA2 -0.328 3.638 3.960 0.011 0.000 0.246 438 G HA3 -0.328 3.638 3.960 0.011 0.000 0.246 438 G C -0.813 174.120 174.900 0.055 0.000 1.322 438 G CA 0.246 45.413 45.100 0.110 0.000 0.898 438 G HN 0.360 nan 8.290 nan 0.000 0.573 439 K N -0.303 120.192 120.400 0.159 0.000 2.656 439 K HA 0.526 4.852 4.320 0.011 0.000 0.253 439 K C 0.504 177.190 176.600 0.143 0.000 1.002 439 K CA 0.125 56.483 56.287 0.117 0.000 0.880 439 K CB 1.001 33.571 32.500 0.117 0.000 1.232 439 K HN 1.313 nan 8.250 nan 0.000 0.456 440 S N 2.107 117.860 115.700 0.089 0.000 2.596 440 S HA 0.052 4.529 4.470 0.011 0.000 0.260 440 S C 1.126 175.766 174.600 0.066 0.000 1.336 440 S CA 0.093 58.337 58.200 0.073 0.000 0.993 440 S CB 1.048 64.280 63.200 0.054 0.000 0.923 440 S HN 0.585 nan 8.310 nan 0.000 0.567 441 T N 1.406 115.989 114.554 0.049 0.000 2.720 441 T HA -0.092 4.265 4.350 0.011 0.000 0.268 441 T C 1.638 176.360 174.700 0.036 0.000 1.037 441 T CA 1.648 63.771 62.100 0.038 0.000 1.144 441 T CB -0.462 68.420 68.868 0.024 0.000 0.864 441 T HN 0.641 nan 8.240 nan 0.000 0.444 442 E N 1.177 121.397 120.200 0.033 0.000 2.150 442 E HA -0.073 4.284 4.350 0.011 0.000 0.193 442 E C 2.231 178.848 176.600 0.029 0.000 0.985 442 E CA 0.868 57.284 56.400 0.028 0.000 0.814 442 E CB -0.221 29.493 29.700 0.024 0.000 0.752 442 E HN 0.637 nan 8.360 nan 0.000 0.466 443 E N 0.718 120.938 120.200 0.034 0.000 2.072 443 E HA -0.094 4.263 4.350 0.011 0.000 0.191 443 E C 2.037 178.658 176.600 0.036 0.000 0.985 443 E CA 0.965 57.383 56.400 0.030 0.000 0.801 443 E CB -0.072 29.646 29.700 0.030 0.000 0.750 443 E HN 0.189 nan 8.360 nan 0.000 0.452 444 A N 1.627 124.479 122.820 0.053 0.000 1.898 444 A HA -0.197 4.129 4.320 0.011 0.000 0.216 444 A C 2.107 179.718 177.584 0.046 0.000 1.181 444 A CA 1.461 53.535 52.037 0.062 0.000 0.620 444 A CB -0.453 18.598 19.000 0.086 0.000 0.819 444 A HN 0.086 nan 8.150 nan 0.000 0.442 445 R N -0.035 120.488 120.500 0.038 0.000 2.083 445 R HA -0.194 4.153 4.340 0.011 0.000 0.237 445 R C 2.248 178.563 176.300 0.024 0.000 1.137 445 R CA 2.055 58.173 56.100 0.030 0.000 0.951 445 R CB -0.292 30.023 30.300 0.025 0.000 0.851 445 R HN 0.522 nan 8.270 nan 0.000 0.434 446 K N 0.396 120.809 120.400 0.022 0.000 2.057 446 K HA -0.178 4.148 4.320 0.011 0.000 0.207 446 K C 1.807 178.416 176.600 0.015 0.000 1.049 446 K CA 1.948 58.245 56.287 0.016 0.000 0.931 446 K CB 0.039 32.547 32.500 0.013 0.000 0.714 446 K HN 0.329 nan 8.250 nan 0.000 0.440 447 E N 0.485 120.696 120.200 0.018 0.000 2.077 447 E HA -0.183 4.173 4.350 0.011 0.000 0.193 447 E C 2.103 178.715 176.600 0.019 0.000 0.989 447 E CA 1.181 57.592 56.400 0.017 0.000 0.800 447 E CB -0.072 29.640 29.700 0.021 0.000 0.746 447 E HN 0.289 nan 8.360 nan 0.000 0.452 448 L N 0.879 122.117 121.223 0.025 0.000 2.083 448 L HA -0.247 4.099 4.340 0.011 0.000 0.209 448 L C 2.569 179.449 176.870 0.018 0.000 1.083 448 L CA 1.290 56.145 54.840 0.025 0.000 0.752 448 L CB -0.334 41.744 42.059 0.031 0.000 0.899 448 L HN 0.163 nan 8.230 nan 0.000 0.433 449 Q N -0.419 119.390 119.800 0.016 0.000 2.046 449 Q HA -0.170 4.176 4.340 0.011 0.000 0.200 449 Q C 2.459 178.465 176.000 0.010 0.000 0.975 449 Q CA 1.555 57.365 55.803 0.013 0.000 0.836 449 Q CB -0.280 28.465 28.738 0.012 0.000 0.896 449 Q HN 0.554 nan 8.270 nan 0.000 0.428 450 A N 1.026 123.851 122.820 0.009 0.000 1.972 450 A HA -0.099 4.228 4.320 0.011 0.000 0.219 450 A C 2.187 179.774 177.584 0.005 0.000 1.169 450 A CA 1.505 53.546 52.037 0.006 0.000 0.635 450 A CB -0.622 18.381 19.000 0.004 0.000 0.810 450 A HN 0.388 nan 8.150 nan 0.000 0.446 451 A N -1.711 121.114 122.820 0.008 0.000 2.209 451 A HA 0.374 4.701 4.320 0.011 0.000 0.212 451 A C 1.819 179.407 177.584 0.007 0.000 1.158 451 A CA 1.293 53.334 52.037 0.007 0.000 0.742 451 A CB -0.977 18.029 19.000 0.011 0.000 0.790 451 A HN 1.932 nan 8.150 nan 0.000 0.472 452 G N -1.028 107.776 108.800 0.007 0.000 2.137 452 G HA2 -0.238 3.728 3.960 0.011 0.000 0.237 452 G HA3 -0.238 3.728 3.960 0.011 0.000 0.237 452 G C 0.111 175.016 174.900 0.008 0.000 1.002 452 G CA 0.417 45.521 45.100 0.006 0.000 0.702 452 G HN 0.501 nan 8.290 nan 0.000 0.515 453 K N 1.530 121.936 120.400 0.010 0.000 2.326 453 K HA 0.521 4.847 4.320 0.011 0.000 0.275 453 K C 1.295 177.901 176.600 0.011 0.000 1.018 453 K CA 0.535 56.829 56.287 0.012 0.000 0.962 453 K CB 0.644 33.154 32.500 0.016 0.000 0.953 453 K HN 0.569 nan 8.250 nan 0.000 0.475 454 S N 3.367 119.073 115.700 0.010 0.000 2.600 454 S HA 0.185 4.662 4.470 0.011 0.000 0.265 454 S C -1.670 172.937 174.600 0.012 0.000 1.325 454 S CA -0.984 57.221 58.200 0.009 0.000 1.002 454 S CB 0.795 64.000 63.200 0.008 0.000 0.921 454 S HN 0.419 nan 8.310 nan 0.000 0.554 455 P HA -0.194 nan 4.420 nan 0.000 0.214 455 P C 1.584 178.893 177.300 0.014 0.000 1.163 455 P CA 1.899 65.006 63.100 0.012 0.000 0.889 455 P CB -0.084 31.622 31.700 0.010 0.000 0.790 456 E N -0.816 119.392 120.200 0.013 0.000 2.152 456 E HA -0.182 4.175 4.350 0.011 0.000 0.192 456 E C 1.289 177.900 176.600 0.018 0.000 0.983 456 E CA 1.125 57.534 56.400 0.015 0.000 0.818 456 E CB -0.825 28.882 29.700 0.012 0.000 0.758 456 E HN 0.143 nan 8.360 nan 0.000 0.467 457 D N 1.227 121.637 120.400 0.016 0.000 2.117 457 D HA -0.132 4.515 4.640 0.011 0.000 0.198 457 D C 2.090 178.406 176.300 0.026 0.000 0.982 457 D CA 0.816 54.827 54.000 0.018 0.000 0.828 457 D CB -0.190 40.618 40.800 0.013 0.000 0.967 457 D HN 0.252 nan 8.370 nan 0.000 0.464 458 L N 0.386 121.624 121.223 0.025 0.000 2.046 458 L HA -0.123 4.223 4.340 0.011 0.000 0.208 458 L C 2.232 179.124 176.870 0.037 0.000 1.077 458 L CA 1.104 55.962 54.840 0.030 0.000 0.747 458 L CB -0.158 41.916 42.059 0.024 0.000 0.896 458 L HN -0.008 nan 8.230 nan 0.000 0.432 459 M N 0.805 120.423 119.600 0.031 0.000 2.159 459 M HA -0.237 4.250 4.480 0.011 0.000 0.263 459 M C 2.188 178.516 176.300 0.047 0.000 1.063 459 M CA 2.472 57.791 55.300 0.032 0.000 1.110 459 M CB -0.460 32.154 32.600 0.024 0.000 1.374 459 M HN 0.445 nan 8.290 nan 0.000 0.411 460 K N -0.730 119.702 120.400 0.055 0.000 2.228 460 K HA -0.095 4.232 4.320 0.011 0.000 0.202 460 K C 1.769 178.460 176.600 0.150 0.000 1.051 460 K CA 0.918 57.255 56.287 0.083 0.000 0.960 460 K CB -0.345 32.187 32.500 0.053 0.000 0.743 460 K HN 0.274 nan 8.250 nan 0.000 0.458 461 L N 0.962 122.255 121.223 0.116 0.000 2.202 461 L HA 0.104 4.450 4.340 0.011 0.000 0.205 461 L C 1.970 178.936 176.870 0.160 0.000 1.083 461 L CA 0.695 55.624 54.840 0.148 0.000 0.790 461 L CB -0.524 41.578 42.059 0.072 0.000 0.942 461 L HN 0.230 nan 8.230 nan 0.000 0.452 462 L N 1.453 122.731 121.223 0.092 0.000 2.026 462 L HA -0.237 4.109 4.340 0.011 0.000 0.231 462 L C -0.552 176.333 176.870 0.026 0.000 1.095 462 L CA 2.836 57.710 54.840 0.056 0.000 0.810 462 L CB -1.933 40.146 42.059 0.034 0.000 0.909 462 L HN 0.236 nan 8.230 nan 0.000 0.444 463 P HA -0.211 nan 4.420 nan 0.000 0.218 463 P C 1.236 178.416 177.300 -0.200 0.000 1.148 463 P CA 1.910 64.923 63.100 -0.145 0.000 0.822 463 P CB -0.543 31.016 31.700 -0.235 0.000 0.784 464 H N -0.126 118.926 119.070 -0.030 0.000 2.524 464 H HA 0.083 4.646 4.556 0.011 0.000 0.282 464 H C 1.662 176.939 175.328 -0.084 0.000 1.016 464 H CA 0.829 56.842 56.048 -0.058 0.000 1.270 464 H CB 0.086 29.827 29.762 -0.034 0.000 1.394 464 H HN 0.242 nan 8.280 nan 0.000 0.568 465 K N 1.043 121.487 120.400 0.073 0.000 2.393 465 K HA 0.125 4.451 4.320 0.011 0.000 0.193 465 K C 0.364 177.037 176.600 0.121 0.000 1.026 465 K CA 0.026 56.373 56.287 0.100 0.000 1.064 465 K CB 0.799 33.377 32.500 0.129 0.000 0.833 465 K HN -0.026 nan 8.250 nan 0.000 0.521 466 V N 2.264 122.187 119.914 0.015 0.000 2.530 466 V HA 0.143 4.269 4.120 0.011 0.000 0.282 466 V C -0.239 175.834 176.094 -0.035 0.000 1.048 466 V CA -0.212 62.126 62.300 0.064 0.000 0.997 466 V CB 0.262 32.096 31.823 0.018 0.000 0.987 466 V HN -0.031 nan 8.190 nan 0.000 0.477 467 F N 2.933 122.906 119.950 0.038 0.000 2.375 467 F HA 0.407 4.941 4.527 0.011 0.000 0.361 467 F C 1.304 177.136 175.800 0.053 0.000 1.117 467 F CA -0.627 57.408 58.000 0.059 0.000 1.037 467 F CB 1.435 40.476 39.000 0.069 0.000 1.192 467 F HN 0.568 nan 8.300 nan 0.000 0.452 468 E N 2.279 122.577 120.200 0.163 0.000 2.338 468 E HA 0.071 4.427 4.350 0.011 0.000 0.197 468 E C 1.666 178.346 176.600 0.134 0.000 1.007 468 E CA 0.520 56.991 56.400 0.118 0.000 0.849 468 E CB 0.015 29.757 29.700 0.071 0.000 0.774 468 E HN 0.949 nan 8.360 nan 0.000 0.506 469 G N 2.098 111.005 108.800 0.179 0.000 2.574 469 G HA2 -0.452 3.515 3.960 0.011 0.000 0.282 469 G HA3 -0.452 3.515 3.960 0.011 0.000 0.282 469 G C 0.273 175.226 174.900 0.089 0.000 1.257 469 G CA 0.208 45.391 45.100 0.138 0.000 0.956 469 G HN 0.361 nan 8.290 nan 0.000 0.560 470 N N -1.107 117.638 118.700 0.075 0.000 2.714 470 N HA -0.184 4.562 4.740 0.011 0.000 0.250 470 N C 0.196 175.727 175.510 0.034 0.000 1.117 470 N CA 1.903 54.997 53.050 0.073 0.000 0.719 470 N CB -0.718 37.823 38.487 0.089 0.000 1.081 470 N HN 0.861 nan 8.380 nan 0.000 0.557 471 R N 0.780 121.283 120.500 0.005 0.000 2.215 471 R HA 0.361 4.707 4.340 0.011 0.000 0.336 471 R C -2.151 174.111 176.300 -0.063 0.000 0.996 471 R CA -1.539 54.531 56.100 -0.050 0.000 0.847 471 R CB 1.116 31.377 30.300 -0.064 0.000 1.127 471 R HN 0.194 nan 8.270 nan 0.000 0.465 472 P HA 0.023 nan 4.420 nan 0.000 0.271 472 P C -0.690 176.579 177.300 -0.052 0.000 1.216 472 P CA -0.046 63.026 63.100 -0.046 0.000 0.776 472 P CB 1.421 33.081 31.700 -0.067 0.000 0.881 473 T N -0.614 113.958 114.554 0.031 0.000 2.868 473 T HA 0.453 4.809 4.350 0.011 0.000 0.306 473 T C -0.717 174.072 174.700 0.147 0.000 1.224 473 T CA -0.918 61.222 62.100 0.067 0.000 1.012 473 T CB 1.342 70.174 68.868 -0.060 0.000 1.221 473 T HN 0.247 nan 8.240 nan 0.000 0.499 474 N N 0.574 119.402 118.700 0.214 0.000 2.314 474 N HA 0.630 5.377 4.740 0.011 0.000 0.304 474 N C -1.254 174.412 175.510 0.259 0.000 1.073 474 N CA -0.585 52.625 53.050 0.266 0.000 0.822 474 N CB 2.228 40.901 38.487 0.310 0.000 1.280 474 N HN 0.641 nan 8.380 nan 0.000 0.489 475 S N 1.549 117.400 115.700 0.252 0.000 2.498 475 S HA 0.565 5.042 4.470 0.011 0.000 0.317 475 S C -0.096 174.737 174.600 0.388 0.000 1.090 475 S CA -0.549 57.830 58.200 0.298 0.000 1.089 475 S CB 0.557 63.856 63.200 0.166 0.000 0.997 475 S HN 0.336 nan 8.310 nan 0.000 0.470 476 I N 3.774 124.620 120.570 0.460 0.000 2.382 476 I HA 0.419 4.596 4.170 0.011 0.000 0.285 476 I C -0.849 175.444 176.117 0.295 0.000 1.007 476 I CA -0.685 60.846 61.300 0.385 0.000 1.142 476 I CB 1.454 39.691 38.000 0.394 0.000 1.289 476 I HN 0.231 nan 8.210 nan 0.000 0.453 477 V N 6.994 127.011 119.914 0.173 0.000 2.495 477 V HA 0.556 4.682 4.120 0.011 0.000 0.298 477 V C -0.512 175.566 176.094 -0.027 0.000 1.031 477 V CA -0.676 61.533 62.300 -0.152 0.000 0.871 477 V CB 1.474 33.238 31.823 -0.099 0.000 0.988 477 V HN 0.517 nan 8.190 nan 0.000 0.432 478 F N 0.102 120.065 119.950 0.022 0.000 2.576 478 F HA 0.609 5.142 4.527 0.011 0.000 0.313 478 F C 1.223 177.047 175.800 0.039 0.000 1.078 478 F CA -0.860 57.165 58.000 0.041 0.000 0.921 478 F CB 1.020 40.039 39.000 0.032 0.000 1.232 478 F HN 0.326 nan 8.300 nan 0.000 0.459 479 T N -0.467 114.214 114.554 0.213 0.000 2.624 479 T HA -0.204 4.152 4.350 0.011 0.000 0.268 479 T C 0.326 175.110 174.700 0.140 0.000 1.041 479 T CA 1.961 64.141 62.100 0.134 0.000 1.159 479 T CB -0.219 68.735 68.868 0.142 0.000 0.863 479 T HN 0.640 nan 8.240 nan 0.000 0.434 480 K N -0.367 120.180 120.400 0.245 0.000 2.578 480 K HA 0.394 4.721 4.320 0.011 0.000 0.269 480 K C -2.101 174.692 176.600 0.322 0.000 0.941 480 K CA -0.775 55.652 56.287 0.234 0.000 0.847 480 K CB 1.445 34.032 32.500 0.144 0.000 1.397 480 K HN -0.053 nan 8.250 nan 0.000 0.422 481 L N 4.181 125.599 121.223 0.325 0.000 2.395 481 L HA 0.242 4.588 4.340 0.011 0.000 0.268 481 L C -0.301 176.659 176.870 0.149 0.000 1.223 481 L CA 0.460 55.442 54.840 0.236 0.000 1.093 481 L CB -0.175 42.057 42.059 0.289 0.000 1.349 481 L HN 0.690 nan 8.230 nan 0.000 0.427 482 T N 0.993 115.585 114.554 0.063 0.000 2.923 482 T HA 0.528 4.885 4.350 0.011 0.000 0.281 482 T C -1.866 172.704 174.700 -0.217 0.000 0.995 482 T CA -1.836 60.212 62.100 -0.087 0.000 0.985 482 T CB 1.241 70.096 68.868 -0.021 0.000 1.114 482 T HN 0.174 nan 8.240 nan 0.000 0.548 483 P HA -0.009 nan 4.420 nan 0.000 0.215 483 P C 1.219 178.452 177.300 -0.111 0.000 1.153 483 P CA 0.717 63.644 63.100 -0.288 0.000 0.853 483 P CB -0.122 31.365 31.700 -0.356 0.000 0.788 484 F N 0.074 119.903 119.950 -0.202 0.000 2.075 484 F HA -0.194 4.340 4.527 0.011 0.000 0.297 484 F C 1.973 177.707 175.800 -0.109 0.000 1.113 484 F CA 1.459 59.375 58.000 -0.140 0.000 1.218 484 F CB -0.543 38.352 39.000 -0.175 0.000 0.984 484 F HN -0.250 nan 8.300 nan 0.000 0.472 485 I N 0.167 120.805 120.570 0.115 0.000 2.286 485 I HA -0.237 3.940 4.170 0.011 0.000 0.248 485 I C 2.413 178.416 176.117 -0.189 0.000 1.115 485 I CA 1.070 62.345 61.300 -0.042 0.000 1.392 485 I CB -1.474 36.509 38.000 -0.029 0.000 1.065 485 I HN 0.294 nan 8.210 nan 0.000 0.418 486 L N 1.573 122.703 121.223 -0.155 0.000 2.017 486 L HA -0.081 4.265 4.340 0.011 0.000 0.208 486 L C 2.432 179.292 176.870 -0.017 0.000 1.073 486 L CA 2.309 57.075 54.840 -0.122 0.000 0.745 486 L CB -1.352 40.650 42.059 -0.096 0.000 0.894 486 L HN 0.207 nan 8.230 nan 0.000 0.432 487 G N -1.069 107.716 108.800 -0.024 0.000 2.440 487 G HA2 -0.282 3.685 3.960 0.011 0.000 0.218 487 G HA3 -0.282 3.685 3.960 0.011 0.000 0.218 487 G C 1.605 176.539 174.900 0.057 0.000 1.154 487 G CA 0.955 46.137 45.100 0.137 0.000 0.767 487 G HN 0.674 nan 8.290 nan 0.000 0.552 488 A N 0.530 123.263 122.820 -0.146 0.000 1.902 488 A HA 0.085 4.412 4.320 0.011 0.000 0.217 488 A C 2.455 180.041 177.584 0.003 0.000 1.181 488 A CA 1.339 53.320 52.037 -0.094 0.000 0.623 488 A CB -0.404 18.490 19.000 -0.176 0.000 0.818 488 A HN 0.362 nan 8.150 nan 0.000 0.443 489 L N -0.627 120.582 121.223 -0.024 0.000 2.046 489 L HA -0.170 4.176 4.340 0.011 0.000 0.208 489 L C 2.488 179.512 176.870 0.257 0.000 1.077 489 L CA 1.252 56.102 54.840 0.016 0.000 0.747 489 L CB -0.527 41.479 42.059 -0.088 0.000 0.896 489 L HN 0.382 nan 8.230 nan 0.000 0.432 490 I N -0.092 120.731 120.570 0.421 0.000 2.179 490 I HA -0.265 3.912 4.170 0.011 0.000 0.242 490 I C 2.815 179.263 176.117 0.552 0.000 1.088 490 I CA 1.171 62.880 61.300 0.682 0.000 1.357 490 I CB -0.518 37.825 38.000 0.571 0.000 1.051 490 I HN 0.185 nan 8.210 nan 0.000 0.409 491 A N 0.562 123.569 122.820 0.311 0.000 1.933 491 A HA -0.259 4.068 4.320 0.011 0.000 0.218 491 A C 2.421 179.983 177.584 -0.036 0.000 1.175 491 A CA 1.783 53.841 52.037 0.036 0.000 0.628 491 A CB -0.662 18.281 19.000 -0.095 0.000 0.814 491 A HN 0.472 nan 8.150 nan 0.000 0.444 492 M N -1.734 117.888 119.600 0.038 0.000 2.080 492 M HA -0.199 4.288 4.480 0.011 0.000 0.260 492 M C 1.986 178.245 176.300 -0.068 0.000 1.068 492 M CA 1.920 57.202 55.300 -0.031 0.000 1.109 492 M CB -0.270 32.247 32.600 -0.139 0.000 1.342 492 M HN 0.557 nan 8.290 nan 0.000 0.405 493 Y N 0.358 120.650 120.300 -0.013 0.000 2.314 493 Y HA -0.158 4.399 4.550 0.012 0.000 0.293 493 Y C 2.268 178.174 175.900 0.011 0.000 1.129 493 Y CA 1.072 59.063 58.100 -0.181 0.000 1.201 493 Y CB -0.073 37.862 38.460 -0.874 0.000 0.999 493 Y HN 0.356 nan 8.280 nan 0.000 0.541 494 E N -0.519 119.871 120.200 0.317 0.000 2.085 494 E HA -0.246 4.110 4.350 0.011 0.000 0.194 494 E C 1.537 178.284 176.600 0.245 0.000 0.994 494 E CA 1.627 58.245 56.400 0.364 0.000 0.801 494 E CB -0.282 29.597 29.700 0.298 0.000 0.743 494 E HN 0.708 nan 8.360 nan 0.000 0.453 495 H N 0.105 119.250 119.070 0.124 0.000 2.470 495 H HA 0.006 4.568 4.556 0.011 0.000 0.289 495 H C 2.153 177.444 175.328 -0.062 0.000 1.033 495 H CA 0.794 56.758 56.048 -0.140 0.000 1.331 495 H CB 0.220 29.530 29.762 -0.753 0.000 1.414 495 H HN -0.020 nan 8.280 nan 0.000 0.545 496 K N 1.451 121.919 120.400 0.114 0.000 2.026 496 K HA -0.146 4.180 4.320 0.011 0.000 0.208 496 K C 1.890 178.566 176.600 0.126 0.000 1.048 496 K CA 1.444 57.796 56.287 0.107 0.000 0.929 496 K CB -0.085 32.515 32.500 0.167 0.000 0.713 496 K HN 0.243 nan 8.250 nan 0.000 0.439 497 I N 0.732 121.418 120.570 0.192 0.000 2.208 497 I HA -0.275 3.902 4.170 0.011 0.000 0.245 497 I C 2.344 178.579 176.117 0.197 0.000 1.097 497 I CA 1.239 62.655 61.300 0.194 0.000 1.363 497 I CB -0.357 37.802 38.000 0.265 0.000 1.051 497 I HN 0.191 nan 8.210 nan 0.000 0.413 498 F N 1.394 121.450 119.950 0.177 0.000 2.069 498 F HA -0.225 4.308 4.527 0.011 0.000 0.298 498 F C 2.369 178.257 175.800 0.147 0.000 1.113 498 F CA 1.758 59.898 58.000 0.234 0.000 1.214 498 F CB -0.554 38.684 39.000 0.396 0.000 0.978 498 F HN -0.226 nan 8.300 nan 0.000 0.474 499 V N 0.738 120.687 119.914 0.059 0.000 2.332 499 V HA -0.345 3.782 4.120 0.011 0.000 0.248 499 V C 2.367 178.294 176.094 -0.277 0.000 1.055 499 V CA 2.353 64.594 62.300 -0.098 0.000 1.038 499 V CB -0.921 30.941 31.823 0.065 0.000 0.651 499 V HN 0.445 nan 8.190 nan 0.000 0.450 500 Q N -0.021 119.595 119.800 -0.307 0.000 2.084 500 Q HA -0.139 4.208 4.340 0.011 0.000 0.202 500 Q C 2.423 178.034 176.000 -0.648 0.000 0.978 500 Q CA 1.646 57.036 55.803 -0.688 0.000 0.844 500 Q CB -0.564 27.727 28.738 -0.746 0.000 0.898 500 Q HN 0.724 nan 8.270 nan 0.000 0.426 501 G N 0.398 109.051 108.800 -0.245 0.000 2.422 501 G HA2 -0.219 3.747 3.960 0.011 0.000 0.218 501 G HA3 -0.219 3.747 3.960 0.011 0.000 0.218 501 G C 1.522 176.357 174.900 -0.108 0.000 1.146 501 G CA 0.883 45.965 45.100 -0.030 0.000 0.769 501 G HN 0.201 nan 8.290 nan 0.000 0.547 502 V N 0.529 120.263 119.914 -0.300 0.000 2.295 502 V HA -0.173 3.953 4.120 0.011 0.000 0.246 502 V C 3.032 179.023 176.094 -0.171 0.000 1.049 502 V CA 1.506 63.653 62.300 -0.254 0.000 1.024 502 V CB -0.490 31.111 31.823 -0.369 0.000 0.648 502 V HN 0.246 nan 8.190 nan 0.000 0.447 503 V N -1.288 118.466 119.914 -0.267 0.000 2.332 503 V HA -0.258 3.868 4.120 0.011 0.000 0.248 503 V C 2.163 178.152 176.094 -0.174 0.000 1.055 503 V CA 1.895 64.030 62.300 -0.276 0.000 1.038 503 V CB -0.659 30.902 31.823 -0.438 0.000 0.651 503 V HN 0.658 nan 8.190 nan 0.000 0.450 504 W N -0.688 120.557 121.300 -0.091 0.000 2.800 504 W HA 0.166 4.833 4.660 0.012 0.000 0.249 504 W C 1.357 177.891 176.519 0.025 0.000 1.294 504 W CA 0.635 57.961 57.345 -0.032 0.000 1.402 504 W CB -0.846 28.667 29.460 0.088 0.000 1.126 504 W HN 0.508 nan 8.180 nan 0.000 0.652 505 D N 0.267 120.767 120.400 0.167 0.000 2.800 505 D HA -0.205 4.442 4.640 0.011 0.000 0.232 505 D C 0.000 176.376 176.300 0.126 0.000 1.137 505 D CA 0.867 54.931 54.000 0.107 0.000 0.718 505 D CB -1.369 39.483 40.800 0.087 0.000 1.084 505 D HN 0.279 nan 8.370 nan 0.000 0.432 506 I N -3.988 116.677 120.570 0.159 0.000 2.947 506 I HA 0.559 4.736 4.170 0.011 0.000 0.314 506 I C 0.405 176.591 176.117 0.115 0.000 1.028 506 I CA -1.136 60.243 61.300 0.132 0.000 1.077 506 I CB 1.357 39.450 38.000 0.156 0.000 1.274 506 I HN -0.103 nan 8.210 nan 0.000 0.485 507 N N 1.687 120.458 118.700 0.118 0.000 2.500 507 N HA 0.235 4.982 4.740 0.011 0.000 0.236 507 N C 0.006 175.545 175.510 0.050 0.000 1.022 507 N CA -0.216 52.922 53.050 0.147 0.000 0.935 507 N CB 0.891 39.501 38.487 0.205 0.000 1.147 507 N HN 0.624 nan 8.380 nan 0.000 0.512 508 S N 2.458 118.067 115.700 -0.152 0.000 2.603 508 S HA 0.068 4.544 4.470 0.011 0.000 0.229 508 S C 0.372 174.569 174.600 -0.672 0.000 0.972 508 S CA 0.385 58.309 58.200 -0.461 0.000 0.935 508 S CB -0.326 62.438 63.200 -0.726 0.000 0.769 508 S HN 0.612 nan 8.310 nan 0.000 0.536 509 F N 1.077 121.155 119.950 0.212 0.000 2.688 509 F HA 0.272 4.805 4.527 0.011 0.000 0.310 509 F C 0.495 176.367 175.800 0.121 0.000 1.098 509 F CA -0.944 57.178 58.000 0.204 0.000 1.228 509 F CB 0.354 39.467 39.000 0.188 0.000 1.042 509 F HN 0.091 nan 8.300 nan 0.000 0.557 510 D N -0.342 120.153 120.400 0.158 0.000 2.506 510 D HA 0.357 5.003 4.640 0.011 0.000 0.254 510 D C -0.182 176.050 176.300 -0.112 0.000 1.089 510 D CA -0.641 53.333 54.000 -0.043 0.000 1.050 510 D CB 0.691 41.464 40.800 -0.044 0.000 1.221 510 D HN 0.033 nan 8.370 nan 0.000 0.589 511 Q N -0.564 119.036 119.800 -0.333 0.000 3.693 511 Q HA 0.109 4.455 4.340 0.011 0.000 0.226 511 Q C -0.853 175.033 176.000 -0.190 0.000 0.757 511 Q CA -0.548 55.153 55.803 -0.170 0.000 0.891 511 Q CB -1.278 27.397 28.738 -0.105 0.000 1.561 511 Q HN 0.744 nan 8.270 nan 0.000 0.390 512 W N 0.915 122.256 121.300 0.068 0.000 2.525 512 W HA 0.094 4.761 4.660 0.010 0.000 0.259 512 W C 1.976 178.528 176.519 0.055 0.000 1.253 512 W CA 1.023 58.405 57.345 0.061 0.000 1.262 512 W CB 0.122 29.619 29.460 0.061 0.000 1.122 512 W HN 0.616 nan 8.180 nan 0.000 0.607 513 G N 0.098 109.028 108.800 0.216 0.000 2.498 513 G HA2 -0.230 3.736 3.960 0.011 0.000 0.219 513 G HA3 -0.230 3.736 3.960 0.011 0.000 0.219 513 G C 1.445 176.404 174.900 0.098 0.000 1.119 513 G CA 1.060 46.247 45.100 0.146 0.000 0.766 513 G HN 0.281 nan 8.290 nan 0.000 0.552 514 V N 0.061 120.024 119.914 0.082 0.000 2.591 514 V HA -0.042 4.085 4.120 0.011 0.000 0.249 514 V C 2.468 178.606 176.094 0.073 0.000 1.053 514 V CA 2.058 64.390 62.300 0.053 0.000 1.068 514 V CB -0.194 31.640 31.823 0.018 0.000 0.689 514 V HN 0.515 nan 8.190 nan 0.000 0.462 515 E N 0.032 120.305 120.200 0.121 0.000 2.049 515 E HA -0.297 4.059 4.350 0.011 0.000 0.198 515 E C 2.144 178.799 176.600 0.091 0.000 1.007 515 E CA 1.839 58.314 56.400 0.125 0.000 0.809 515 E CB -0.401 29.416 29.700 0.195 0.000 0.749 515 E HN 0.517 nan 8.360 nan 0.000 0.450 516 L N 1.122 122.397 121.223 0.087 0.000 2.012 516 L HA -0.118 4.228 4.340 0.011 0.000 0.210 516 L C 2.291 179.190 176.870 0.048 0.000 1.073 516 L CA 2.420 57.297 54.840 0.063 0.000 0.748 516 L CB -1.010 41.083 42.059 0.056 0.000 0.891 516 L HN 0.137 nan 8.230 nan 0.000 0.431 517 G N -1.080 107.744 108.800 0.041 0.000 2.418 517 G HA2 -0.255 3.712 3.960 0.011 0.000 0.217 517 G HA3 -0.255 3.712 3.960 0.011 0.000 0.217 517 G C 1.691 176.608 174.900 0.028 0.000 1.158 517 G CA 0.818 45.935 45.100 0.027 0.000 0.771 517 G HN 0.420 nan 8.290 nan 0.000 0.545 518 K N 0.491 120.912 120.400 0.035 0.000 2.057 518 K HA -0.124 4.202 4.320 0.011 0.000 0.206 518 K C 2.787 179.409 176.600 0.037 0.000 1.050 518 K CA 1.480 57.787 56.287 0.033 0.000 0.935 518 K CB -0.190 32.331 32.500 0.036 0.000 0.715 518 K HN 0.629 nan 8.250 nan 0.000 0.439 519 Q N 0.926 120.754 119.800 0.046 0.000 2.119 519 Q HA -0.114 4.232 4.340 0.011 0.000 0.201 519 Q C 1.970 177.999 176.000 0.048 0.000 0.972 519 Q CA 1.151 56.982 55.803 0.047 0.000 0.847 519 Q CB -0.314 28.455 28.738 0.052 0.000 0.903 519 Q HN 0.263 nan 8.270 nan 0.000 0.433 520 L N 0.537 121.789 121.223 0.048 0.000 2.156 520 L HA -0.015 4.332 4.340 0.011 0.000 0.208 520 L C 2.661 179.559 176.870 0.047 0.000 1.095 520 L CA 0.738 55.613 54.840 0.057 0.000 0.770 520 L CB -0.604 41.484 42.059 0.049 0.000 0.914 520 L HN 0.358 nan 8.230 nan 0.000 0.439 521 A N 0.138 122.976 122.820 0.030 0.000 1.930 521 A HA -0.205 4.121 4.320 0.011 0.000 0.217 521 A C 2.280 179.881 177.584 0.028 0.000 1.175 521 A CA 1.495 53.544 52.037 0.019 0.000 0.627 521 A CB -0.282 18.726 19.000 0.013 0.000 0.815 521 A HN 0.139 nan 8.150 nan 0.000 0.443 522 K N 0.281 120.701 120.400 0.033 0.000 2.211 522 K HA -0.033 4.294 4.320 0.011 0.000 0.203 522 K C 1.824 178.450 176.600 0.043 0.000 1.050 522 K CA 1.438 57.745 56.287 0.033 0.000 0.945 522 K CB -0.120 32.399 32.500 0.032 0.000 0.732 522 K HN 0.515 nan 8.250 nan 0.000 0.451 523 K N -0.439 119.996 120.400 0.058 0.000 2.167 523 K HA 0.063 4.389 4.320 0.011 0.000 0.203 523 K C 1.861 178.522 176.600 0.101 0.000 1.052 523 K CA 0.947 57.280 56.287 0.077 0.000 0.956 523 K CB 0.070 32.628 32.500 0.096 0.000 0.735 523 K HN 0.133 nan 8.250 nan 0.000 0.451 524 I N 1.230 121.853 120.570 0.088 0.000 2.406 524 I HA -0.181 3.996 4.170 0.011 0.000 0.249 524 I C 1.912 178.055 176.117 0.044 0.000 1.122 524 I CA 0.865 62.207 61.300 0.070 0.000 1.431 524 I CB -0.172 37.821 38.000 -0.012 0.000 1.087 524 I HN 0.171 nan 8.210 nan 0.000 0.424 525 E N 1.653 121.873 120.200 0.032 0.000 2.068 525 E HA -0.251 4.105 4.350 0.011 0.000 0.207 525 E C -0.614 176.002 176.600 0.026 0.000 1.032 525 E CA 1.825 58.239 56.400 0.024 0.000 0.839 525 E CB -1.480 28.232 29.700 0.021 0.000 0.758 525 E HN 0.459 nan 8.360 nan 0.000 0.457 526 P HA -0.143 nan 4.420 nan 0.000 0.222 526 P C 0.632 177.951 177.300 0.032 0.000 1.147 526 P CA 1.313 64.429 63.100 0.027 0.000 0.790 526 P CB 0.002 31.718 31.700 0.027 0.000 0.780 527 E N -0.200 120.028 120.200 0.047 0.000 2.347 527 E HA -0.014 4.342 4.350 0.011 0.000 0.196 527 E C 2.043 178.667 176.600 0.040 0.000 1.008 527 E CA 0.386 56.819 56.400 0.055 0.000 0.852 527 E CB -0.373 29.387 29.700 0.101 0.000 0.783 527 E HN 0.328 nan 8.360 nan 0.000 0.505 528 L N 1.088 122.328 121.223 0.029 0.000 2.240 528 L HA -0.040 4.307 4.340 0.011 0.000 0.211 528 L C 0.404 177.282 176.870 0.013 0.000 1.106 528 L CA 0.252 55.102 54.840 0.018 0.000 0.793 528 L CB -0.257 41.809 42.059 0.012 0.000 0.927 528 L HN 0.001 nan 8.230 nan 0.000 0.446 529 D N 0.988 121.396 120.400 0.014 0.000 2.414 529 D HA 0.386 5.033 4.640 0.011 0.000 0.242 529 D C 0.701 177.006 176.300 0.008 0.000 1.129 529 D CA 1.128 55.133 54.000 0.009 0.000 0.885 529 D CB 0.818 41.624 40.800 0.010 0.000 1.198 529 D HN 0.247 nan 8.370 nan 0.000 0.437 530 G N 0.872 109.674 108.800 0.004 0.000 2.781 530 G HA2 -0.135 3.832 3.960 0.011 0.000 0.683 530 G HA3 -0.135 3.832 3.960 0.011 0.000 0.683 530 G C 0.565 175.466 174.900 0.001 0.000 1.390 530 G CA 0.033 45.135 45.100 0.003 0.000 0.850 530 G HN 0.652 nan 8.290 nan 0.000 0.557 531 S N -1.414 114.286 115.700 -0.001 0.000 2.540 531 S HA 0.442 4.919 4.470 0.011 0.000 0.218 531 S C 1.289 175.891 174.600 0.002 0.000 0.977 531 S CA 1.005 59.203 58.200 -0.003 0.000 0.918 531 S CB -0.030 63.165 63.200 -0.008 0.000 0.806 531 S HN 2.268 nan 8.310 nan 0.000 0.496 532 S N 3.518 119.222 115.700 0.007 0.000 2.549 532 S HA 0.380 4.856 4.470 0.011 0.000 0.283 532 S C -2.249 172.361 174.600 0.017 0.000 1.320 532 S CA -1.116 57.090 58.200 0.011 0.000 1.058 532 S CB -0.051 63.156 63.200 0.011 0.000 0.882 532 S HN 0.340 nan 8.310 nan 0.000 0.498 533 P HA 0.182 nan 4.420 nan 0.000 0.269 533 P C -0.758 176.564 177.300 0.037 0.000 1.215 533 P CA -0.446 62.671 63.100 0.029 0.000 0.780 533 P CB 0.539 32.255 31.700 0.028 0.000 0.898 534 V N 2.386 122.332 119.914 0.053 0.000 2.483 534 V HA 0.369 4.495 4.120 0.011 0.000 0.295 534 V C 1.270 177.410 176.094 0.078 0.000 1.035 534 V CA 0.124 62.469 62.300 0.075 0.000 0.896 534 V CB 1.301 33.194 31.823 0.117 0.000 0.986 534 V HN 0.834 nan 8.190 nan 0.000 0.447 535 T N -2.203 112.387 114.554 0.059 0.000 3.262 535 T HA 0.017 4.374 4.350 0.011 0.000 0.300 535 T C 1.208 175.915 174.700 0.013 0.000 0.959 535 T CA 0.432 62.558 62.100 0.043 0.000 0.936 535 T CB 0.120 69.001 68.868 0.023 0.000 1.169 535 T HN 0.640 nan 8.240 nan 0.000 0.532 536 S N 0.427 116.110 115.700 -0.027 0.000 2.562 536 S HA 0.138 4.614 4.470 0.011 0.000 0.221 536 S C 0.697 175.114 174.600 -0.305 0.000 0.975 536 S CA -0.275 57.817 58.200 -0.179 0.000 0.918 536 S CB -0.530 62.507 63.200 -0.272 0.000 0.772 536 S HN 0.690 nan 8.310 nan 0.000 0.531 537 H N 1.537 120.611 119.070 0.007 0.000 3.065 537 H HA 0.388 4.951 4.556 0.011 0.000 0.279 537 H C -0.606 174.725 175.328 0.004 0.000 1.594 537 H CA -0.440 55.611 56.048 0.006 0.000 1.547 537 H CB 0.076 29.842 29.762 0.007 0.000 1.771 537 H HN 0.404 nan 8.280 nan 0.000 0.871 538 D N -0.816 119.680 120.400 0.161 0.000 2.368 538 D HA -0.023 4.624 4.640 0.011 0.000 0.240 538 D C 1.214 177.555 176.300 0.069 0.000 1.169 538 D CA 0.066 54.112 54.000 0.077 0.000 0.906 538 D CB 0.765 41.597 40.800 0.053 0.000 1.187 538 D HN 0.443 nan 8.370 nan 0.000 0.435 539 S N 0.497 116.221 115.700 0.040 0.000 2.400 539 S HA -0.289 4.187 4.470 0.011 0.000 0.232 539 S C 1.926 176.539 174.600 0.021 0.000 1.025 539 S CA 1.107 59.325 58.200 0.031 0.000 0.993 539 S CB -0.720 62.491 63.200 0.018 0.000 0.808 539 S HN 0.521 nan 8.310 nan 0.000 0.478 540 S N 1.445 117.152 115.700 0.011 0.000 2.345 540 S HA -0.111 4.366 4.470 0.011 0.000 0.220 540 S C 2.013 176.606 174.600 -0.011 0.000 1.031 540 S CA 1.836 60.032 58.200 -0.007 0.000 0.996 540 S CB -1.300 61.891 63.200 -0.016 0.000 0.882 540 S HN 0.682 nan 8.310 nan 0.000 0.445 541 T N 2.496 117.042 114.554 -0.014 0.000 2.720 541 T HA -0.108 4.248 4.350 0.011 0.000 0.268 541 T C 1.639 176.317 174.700 -0.038 0.000 1.037 541 T CA 1.829 63.891 62.100 -0.064 0.000 1.144 541 T CB -0.777 68.013 68.868 -0.129 0.000 0.864 541 T HN 0.574 nan 8.240 nan 0.000 0.444 542 N N 0.450 119.171 118.700 0.035 0.000 2.043 542 N HA -0.090 4.657 4.740 0.011 0.000 0.193 542 N C 2.285 177.824 175.510 0.048 0.000 1.037 542 N CA 0.959 54.049 53.050 0.067 0.000 0.851 542 N CB -0.345 38.191 38.487 0.082 0.000 1.027 542 N HN 0.415 nan 8.380 nan 0.000 0.422 543 G N 1.353 110.175 108.800 0.037 0.000 2.442 543 G HA2 -0.194 3.772 3.960 0.011 0.000 0.219 543 G HA3 -0.194 3.772 3.960 0.011 0.000 0.219 543 G C 1.520 176.458 174.900 0.063 0.000 1.141 543 G CA 0.490 45.615 45.100 0.042 0.000 0.763 543 G HN 0.131 nan 8.290 nan 0.000 0.554 544 L N -0.035 121.209 121.223 0.034 0.000 2.056 544 L HA 0.016 4.362 4.340 0.011 0.000 0.207 544 L C 2.846 179.778 176.870 0.104 0.000 1.078 544 L CA 0.667 55.540 54.840 0.056 0.000 0.749 544 L CB -0.324 41.736 42.059 0.003 0.000 0.901 544 L HN 0.182 nan 8.230 nan 0.000 0.433 545 I N 0.051 120.652 120.570 0.051 0.000 2.226 545 I HA -0.289 3.888 4.170 0.011 0.000 0.245 545 I C 2.121 178.278 176.117 0.067 0.000 1.100 545 I CA 1.124 62.450 61.300 0.045 0.000 1.374 545 I CB -0.385 37.625 38.000 0.017 0.000 1.057 545 I HN 0.367 nan 8.210 nan 0.000 0.413 546 N N 0.575 119.324 118.700 0.082 0.000 2.244 546 N HA -0.187 4.560 4.740 0.011 0.000 0.183 546 N C 1.734 177.304 175.510 0.101 0.000 1.016 546 N CA 1.168 54.264 53.050 0.076 0.000 0.866 546 N CB -0.435 38.096 38.487 0.073 0.000 0.980 546 N HN 0.298 nan 8.380 nan 0.000 0.430 547 F N 1.796 121.744 119.950 -0.003 0.000 2.146 547 F HA 0.034 4.561 4.527 -0.001 0.000 0.298 547 F C 2.063 177.861 175.800 -0.004 0.000 1.096 547 F CA 0.828 58.826 58.000 -0.004 0.000 1.275 547 F CB -0.266 38.730 39.000 -0.007 0.000 1.008 547 F HN -0.125 nan 8.300 nan 0.000 0.480 548 I N 0.509 121.106 120.570 0.046 0.000 2.163 548 I HA -0.334 3.843 4.170 0.011 0.000 0.243 548 I C 2.365 178.416 176.117 -0.110 0.000 1.085 548 I CA 1.537 62.804 61.300 -0.055 0.000 1.347 548 I CB -0.526 37.494 38.000 0.035 0.000 1.044 548 I HN 0.092 nan 8.210 nan 0.000 0.408 549 K N 0.252 120.617 120.400 -0.058 0.000 2.057 549 K HA -0.262 4.065 4.320 0.011 0.000 0.207 549 K C 2.140 178.685 176.600 -0.091 0.000 1.049 549 K CA 1.495 57.750 56.287 -0.054 0.000 0.931 549 K CB -0.270 32.219 32.500 -0.019 0.000 0.714 549 K HN 0.431 nan 8.250 nan 0.000 0.440 550 Q N 0.773 120.498 119.800 -0.125 0.000 2.046 550 Q HA -0.175 4.172 4.340 0.011 0.000 0.200 550 Q C 1.863 177.738 176.000 -0.210 0.000 0.975 550 Q CA 1.260 56.976 55.803 -0.145 0.000 0.836 550 Q CB 0.211 28.866 28.738 -0.138 0.000 0.896 550 Q HN 0.204 nan 8.270 nan 0.000 0.428 551 Q N 0.071 119.654 119.800 -0.362 0.000 2.435 551 Q HA -0.006 4.340 4.340 0.011 0.000 0.207 551 Q C 1.811 177.690 176.000 -0.202 0.000 0.956 551 Q CA 0.380 55.969 55.803 -0.355 0.000 0.917 551 Q CB -0.022 28.335 28.738 -0.635 0.000 0.997 551 Q HN 0.375 nan 8.270 nan 0.000 0.497 552 R N 0.849 121.256 120.500 -0.155 0.000 2.113 552 R HA -0.172 4.175 4.340 0.011 0.000 0.244 552 R C 0.547 176.806 176.300 -0.069 0.000 1.142 552 R CA 1.406 57.451 56.100 -0.091 0.000 0.953 552 R CB 0.152 30.412 30.300 -0.065 0.000 0.860 552 R HN 0.259 nan 8.270 nan 0.000 0.438 553 E N -0.897 119.263 120.200 -0.068 0.000 2.585 553 E HA 0.221 4.578 4.350 0.011 0.000 0.206 553 E C -1.004 175.566 176.600 -0.050 0.000 1.007 553 E CA -0.390 55.981 56.400 -0.049 0.000 1.028 553 E CB 1.378 31.056 29.700 -0.037 0.000 1.087 553 E HN 0.241 nan 8.360 nan 0.000 0.455 554 A N 1.503 124.283 122.820 -0.067 0.000 2.409 554 A HA 0.205 4.532 4.320 0.011 0.000 0.267 554 A C -0.098 177.462 177.584 -0.039 0.000 1.127 554 A CA -0.107 51.894 52.037 -0.059 0.000 0.795 554 A CB 0.215 19.165 19.000 -0.083 0.000 1.061 554 A HN 0.080 nan 8.150 nan 0.000 0.502 555 K N 2.890 123.274 120.400 -0.027 0.000 2.267 555 K HA 0.492 4.819 4.320 0.011 0.000 0.282 555 K C -0.555 176.037 176.600 -0.012 0.000 1.078 555 K CA 0.197 56.473 56.287 -0.018 0.000 0.903 555 K CB 0.821 33.313 32.500 -0.013 0.000 1.111 555 K HN 0.667 nan 8.250 nan 0.000 0.475 556 I N 0.000 120.564 120.570 -0.009 0.000 2.984 556 I HA 0.000 4.177 4.170 0.011 0.000 0.288 556 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 556 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494